[Openmd-users] Gold example using MPI

[Martin Vala]

Hi Dan,

super it is working. Thanks for your support and fast response.

Caio

Martin
On 11/09/2014 15:06, Dan Gezelter wrote:
> 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
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>    Department of Chemistry and Biochemistry
>    251 Nieuwland Science Hall
>    University of Notre Dame
>    Notre Dame, IN 46556-5670
>
>    phone:  +1 (574) 631-7595
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