[gmx-users] parallel job

Mark Abraham mark.j.abraham at gmail.com
Sat Jun 18 16:53:35 CEST 2016


Hi,

Depends what you mean by parallel. The top utility will show you processes,
and whether via MPI or thread-MPI, there will generally be multiple GROMACS
processes started from one call of gmx mdrun.

Mark

On Sat, Jun 18, 2016 at 4:30 PM Alexander Alexander <
alexanderwien2k at gmail.com> wrote:

> Dear Gromacs user,
>
> For a gromacs parallel job, I was wondering if gmx would show up as just a
> single bonded "gmx" when one invoked "top" in command or its distributon
> over cpu's shows up as a series of "gmx" in top command inside the node.
>
> Regards,
> Alex
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