[gmx-users] How to do parallel simulation by OpenMP?

Mark Abraham mark.j.abraham at gmail.com
Thu Jan 29 22:14:06 CET 2015


Hi,

No, that is not what OpenMP is for. MPI, yes, but don't bother doing it for
GROMACS unless you know the network hardware is pretty serious.

Mark

On Thu, Jan 29, 2015 at 6:48 PM, Hassan Aaryapour <hassan.gromacs at gmail.com>
wrote:

> Dear Gromacs Users
> How can I connect multiple stand-alone computers together in a network to
> make parallel simulation by OpenMP?
>
> Thanks
> Hassan
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