Problem in NAMD memory optimized version - Reg

From: Mani Kandan (manikandand5110_at_gmail.com)
Date: Mon Jul 02 2018 - 11:02:37 CDT

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Dear all,

                My system has 10 million atoms, so I am trying to use
memory optimized version of NAMD 2.12. But the simulation is not running,
the simulation starts and shows the following

Info: Entering startup at 3.80253 s, 123.812 MB of memory in use
Info: Startup phase 0 took 0.0100908 s, 123.812 MB of memory in use

and it is not running after this point. The process terminated after 10
mins without any error. How to solve this issue? Is any other way to
simulate the system having 10 million atoms?

Thanks,

Manikandan

• Next message: Ivan: "Included Topology (.itp) in gromacs to parameter file for NAMD"
• Previous message: Brian Radak: "Re: At high cutoff: "ERROR: CALCULATED VDWA FORCE MAY NOT MATCH ENERGY! POSSIBLE BUG!""
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