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

Mark Abraham mark.j.abraham at gmail.com
Thu Dec 8 17:16:18 CET 2016


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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