[gmx-users] remd

Mark Abraham mark.j.abraham at gmail.com
Thu Nov 14 13:36:22 CET 2013


Yes, just tell your MPI setup to do that. Performance will degrade, and
mdrun will complain that it can't set processor affinities, which is fine
for your purpose.

Mark
On Nov 14, 2013 7:06 AM, "Shine A" <shine.a at iisertvm.ac.in> wrote:

> sir,
>
>      I have a basic doubt about remd simulation. In remd is it possible to
> run 16 replicas in 8 processors?
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