[Openmd-users] Gold example using MPI

[Dan Gezelter]

Martin,

We normally run MPI jobs as follows:

  mpirun -np 16 openmd_MPI file.md

(Note that this assumes you want to run a 16 processor job.)  Depending on the implementation of MPI you are using, you might need:

  mpiexec -np 16 openmd_MPI file.md

Various queueing systems set up their parallel environments differently, so you might need to alter the command syntax based on your local implementation.

Best regards,

 -Dan




On Sep 11, 2014, at 5:59 AM, Martin Vala <mvala at saske.sk> wrote:

> Dear OpenMD users,
> 
> i am starting to use openmd and i am trying gold example from http://openmd.org/?p=277 . I can successfully run this example. I see that simulation is using one core. Can you give me hint, how to run it in parallel? Probably using openmpi? I see openmd_MPI command, but i don't know how to use it (i didn't find doc for it).
> 
> Can you help me, please?
> 
> Thanks a lot
> 
> Ciao
> 
> Martin
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***********************************************
  J. Daniel Gezelter
  Associate Professor of Chemistry
  Department of Chemistry and Biochemistry
  251 Nieuwland Science Hall
  University of Notre Dame
  Notre Dame, IN 46556-5670

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