[gmx-users] Vagrant 2-node slurm cluster with gromacs, mpi

[Victor Rosas Garcia]

Interesting.

Mark, would you mind pointing out a few resources on how to configure for a
Gigabit network? So far I have found J Comput Chem 28: 2075–2084, 2007, but
there must be something else out there.

Victor

2016-12-08 10:08 GMT-06:00 Mark Abraham <mark.j.abraham at gmail.com>:

> Hi,
>
> Thanks for the tip. I would further suggest that people consider the
> attributes of their network before attempting such a setup. It is possible
> to get reasonable performance from multi-node GROMACS using Gigabit
> ethernet, but I would expect to have to do a lot of work configuring it.
> GROMACS performance is extremely sensitive to communication latency, and
> every extra layer of middleware hurts that.
>
> Mark
>
> On Tue, Dec 6, 2016 at 1:16 AM Jan Domanski <jandom at gmail.com> wrote:
>
> > Hi guys,
> >
> > While not exactly related to gromacs per-se, this may be useful to folks
> > who want to try running gromacs with slurm out on their laptops, rather
> > than deploying on a slice of a hardware cluster.
> >
> > https://github.com/jandom/gromacs-slurm-openmpi-vagrant
> >
> > - Jan
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at
> > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > posting!
> >
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> > * For (un)subscribe requests visit
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-request at gromacs.org.
> >
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>