Amin,
maybe your MPI-enabled executable is called mdrun_mpi. Check
the directory where mdrun is and make shure (with ldd for example)
the mdrun* you are using is linked to the MPI library you are using.
Carsten
On Jun 24, 2010, at 6:51 AM, Amin Arabbagheri wrote:
> Carsten,
>
> Thanks for yo
Carsten,
Thanks for your help, I used something like "mpirun -np 3 mdrun -s topol.tpr",
it works but its something like repeating a single job 3 times, simultaneously.
here is the output on the screen :
{
Back Off! I just backed up md_traj_dam_2nd.trr to ./#md_traj_dam_2nd.trr.1#
Back Off! I jus
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