[gmx-users] Slurm for GROMACS

[Shradheya R.R. Gupta]

Thanks sir for your response.
I have two questions.

1. What should be the minimum number of computers to be in my personal
cluster (i7 - 4 physical and 8 logical cores)

2. How should I build GROMACS on them statically or dynamically?

Thank you

On Wed, 6 Nov, 2019, 9:35 PM Alexander Tzanov, <
Alexander.Tzanov at csi.cuny.edu> wrote:

> No you do not. If you are the only user.
>
> On Nov 6, 2019 9:04 AM, "Shradheya R.R. Gupta" <shradheyagupta at gmail.com>
> wrote:
> Thank you sir for your response.
> For personal cluster of 6 computers  where I will be using all the nodes to
> its fullest everytime still needed slurm?
>
> Thank you
>
> On Tue, 5 Nov, 2019, 7:32 PM Mark Abraham, <mark.j.abraham at gmail.com>
> wrote:
>
> > 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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