[gmx-users] Parallel run on a Quad Core

Manik Mayur manik.mayur at gmail.com
Sun Dec 21 15:26:02 CET 2008

On Sun, Dec 21, 2008 at 5:04 PM, Chitrita Dutta Roy
<chitrita.md at gmail.com>wrote:

> Thanks to all for helping me previously.
> Now i am unable to arrange the .tpr file for position restraint mdrun on a
> quad core as in version 4.0.2 grompp -np is not a valid comand can anybody
> help me in building a tpr file for parallel run on 4 cores of a quad core
> machine .I have installed gromacs using Open MPI Library and my files are
> suffixed as _mpi.

try running: mpirun -np 4 mdrun_mpi options

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