[gmx-users] Vagrant 2-node slurm cluster with gromacs, mpi
Victor Rosas Garcia
rosas.victor at gmail.com
Thu Dec 8 17:49:48 CET 2016
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.
2016-12-08 10:08 GMT-06:00 Mark Abraham <mark.j.abraham at gmail.com>:
> 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.
> 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
> > --
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