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,
and sorry

De: Carsten Kutzner <>
Para: Open MPI Users <>
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  

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!

users mailing list