[gmx-users] parallel mdrun

[Sander Pronk]

You need to run MPI jobs with 'mpirun'. The correct command would be

mpirun -np 8 mdrun -s topol.tpr

(I don't know what the -N 8 does).

Sander


On 16 Sep 2009, at 18:03 , Jarol E. Molina wrote:

> Hi all
>
> I have a single machine with multilpe processors. I want run mdrun  
> with 8 processors and I use the options
>
> % mdrun – np 8 -s toppl.tpr -v -N 8
>
> I see in the system monitor that just one procesor is running, if I  
> use
>
> %mdrun_mpi -np 8 -s topol.tpr -v -N 8
>
> I see the same in the system monitor
>
>
>  Any suggestion would be of great help
>
> -- 
>               Jarol E Molina, I.Q., M.S.
> Estudiante Doctorado en Ingeniería - Sistemas Energéticos
> Universidad Nacional de Colombia - Sede Medellín
> jemolina at unal.edu.co
> jemolina at unalmed.edu.co
>
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