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Subject: Re: [OMPI users] Gromacs run in parallel
From: Carsten Kutzner (ckutzne_at_[hidden])
Date: 2010-06-06 08:51:26


Hi,

which version of Gromacs is this? Could you post the first lines of
the md.log output file?

Carsten

On Jun 5, 2010, at 10:23 PM, lauren wrote:

> sorry my english..
>
> I want to know how can I run Gromancs in parallel!
> Because when I used
>
> mdrun &
> mpiexec -np 4 mdrun_mpi -v -deffnm em
>
> to run the minimization in 4 cores > all cores make the same job, again!
> They don't run together.
> I want all in parallel make the job faster.
>
>
> what could be wrong?
>
> thank's a lot!
>
>
>
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