From: John Stone (
Date: Thu Nov 19 2020 - 11:04:31 CST

  It looks like you have tried to run the MIC-specific (Xeon Phi) builds of
VMD on a normal x86 CPU with AVX-512.
Although your CPU supports AVX-512 subsets F, DQ, CD, BW, and VL, it doesn't
support ER and PF which are specific to Xeon Phi processors.

For the time being, your best choice text-mode build would either be
"LINUX_64 Text-mode" or "LINUX_64 Text-mode w/ EGL".

VMD 1.9.4 now includes support for dynamic runtime dispatch of SIMD
instruction set extensions for performance critical loops, so going
forward there will no longer be separate builds for the different
AVX-512 variants. The CPU features are now detected at startup and
the fastest SIMD loops are used for the hardware that is available.

Best regards,
  John Stone

On Thu, Nov 19, 2020 at 10:33:42AM -0600, Zhu Liang wrote:
> Hi,
> I tried to install several text versions of vmd on Linux.
> The installation was smooth, however when I type "vmd" to run, it displays
> the following message instead:
> Please verify that both the operating system and the processor support
> Intel(R) AVX512ER and AVX512PF instructions.
> Can anyone help me with this? Tried different versions, the message is the
> same.
> My Linux and CPU informations are the following:
> NAME="CentOS Linux"
> VERSION="7 (Core)"
> ID="centos"
> ID_LIKE="rhel fedora"
> PRETTY_NAME="CentOS Linux 7 (Core)"
> ANSI_COLOR="0;31"
> CPE_NAME="cpe:/o:centos:centos:7"
> HOME_URL="[1]"
> Architecture: x86_64
> CPU op-mode(s): 32-bit, 64-bit
> Byte Order: Little Endian
> CPU(s): 16
> On-line CPU(s) list: 0-15
> Thread(s) per core: 2
> Core(s) per socket: 8
> Socket(s): 1
> NUMA node(s): 1
> Vendor ID: GenuineIntel
> CPU family: 6
> Model: 85
> Model name: Intel(R) Core(TM) i7-7820X CPU @ 3.60GHz
> Stepping: 4
> CPU MHz: 1199.926
> CPU max MHz: 4500.0000
> CPU min MHz: 1200.0000
> BogoMIPS: 7200.00
> Virtualization: VT-x
> L1d cache: 32K
> L1i cache: 32K
> L2 cache: 1024K
> L3 cache: 11264K
> NUMA node0 CPU(s): 0-15
> Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr
> pge mca cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe
> syscall nx pdpe1gb rdtscp lm constant_tsc art arch_perfmon pebs bts
> rep_good nopl xtopology nonstop_tsc aperfmperf eagerfpu pni pclmulqdq
> dtes64 monitor ds_cpl vmx est tm2 ssse3 sdbg fma cx16 xtpr pdcm pcid dca
> sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c
> rdrand lahf_lm abm 3dnowprefetch epb cat_l3 cdp_l3 intel_pt ssbd mba ibrs
> ibpb stibp tpr_shadow vnmi flexpriority ept vpid fsgsbase tsc_adjust bmi1
> hle avx2 smep bmi2 erms invpcid rtm cqm mpx rdt_a avx512f avx512dq rdseed
> adx smap clflushopt clwb avx512cd avx512bw avx512vl xsaveopt xsavec
> xgetbv1 cqm_llc cqm_occup_llc cqm_mbm_total cqm_mbm_local dtherm ida arat
> pln pts hwp hwp_act_window hwp_epp hwp_pkg_req md_clear spec_ctrl
> intel_stibp flush_l1d
> Thanks,
> Zhu
> References
> Visible links
> 1.
> 2.

NIH Center for Macromolecular Modeling and Bioinformatics
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