[gmx-users] Slurm for GROMACS

[Mark Abraham]

Hi,

SLURM and OpenMPI do different things. SLURM is a resource manager, from
which you might request multiple compute nodes. OpenMPI is a parallelism
library that allows a program to run on those nodes. GROMACS is the
program, and it doesn't care which MPI library is in use, or which resource
manager sits above that. So SLURM + OpenMPI + GROMACS is fine.

Mark

On Tue, 5 Nov 2019 at 14:51, Shradheya R.R. Gupta <shradheyagupta at gmail.com>
wrote:

> Researchers,
>  Is slrum required to run GROMACS on multiple computers or OpenMPI is fine?
>
> Thank you
> Shradheya
> DBT-BIF University of Rajasthan
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