[gmx-users] Vacuum simulation in Gromacs 5

[Mark Abraham]

Hi,

Top need not be indicative. Run the same with -nt 1 and observe whether the
performance changes. And don't run anything else on these cores.

Mark

On Fri, 12 Jun 2015 14:20 Jan Jirsák <janjirsak at gmail.com> wrote:

> Hi,
>
> I have one more problem with running this system with thread-MPI
> (tested in both 5.0.4 and 5.0.5 on two different machines). When I set
> everything as you advised me, it runs, however top command shows only
> 100% load - i.e., only single CPU is used (and it is really very very
> slow), despite log files confirm the desired number of MPI threads was
> used.
>
> Thanks, Jan
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