[gmx-users] Re : Gromacs 4.0 parallelization
Mark.Abraham at anu.edu.au
Sun Nov 8 01:17:47 CET 2009
Itamar Kass wrote:
> I think it is more important how you compiled you gromacs. Had you used
Indeed, that is also very important.
> On Sun, Nov 8, 2009 at 2:08 AM, milad ekramnia <m.ekramnia at ph.iut.ac.ir
> <mailto:m.ekramnia at ph.iut.ac.ir>> wrote:
> Hi Mark
> my mdrun command line is :
> mpirun -n 4 mdrun_mpi -v -s topol.tpr
That's great, but I no longer remember the context of your question.
Please reply to the previous email and leave the content.
If you are using GROMACS 3.x then you may need to give a -np flag to
grompp and mdrun_mpi also.
More information about the gromacs.org_gmx-users