The version of Gromacs is 4.0.7.
This is the first time that I using Gromacs, then excuse me if I'm nonsense.
Wich part of md.log output should I post?
after or before the input description?
thanks for all,
De: Carsten Kutzner <email@example.com>
Para: Open MPI Users <firstname.lastname@example.org>
Enviadas: Domingo, 6 de Junho de 2010 9:51:26
Assunto: Re: [OMPI users] Gromacs run in parallel
which version of Gromacs is this? Could you post the first lines of
the md.log output file?
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
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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