[gmx-users] Parallel running of mdrun
Dallas B. Warren
Dallas.Warren at pharm.monash.edu.au
Thu Feb 5 00:22:29 CET 2009
I must be missing something here. Now we don't need to use the -np
switch for grompp or mdrun, you simply specify with mpirun (4.0.3) eg
mpirun -np 4 mdrun -deffnm md_01
Doing that I end up with four separate processes. Does that mean that
the mdrun being used is not mpi enabled?
This is on a super computer system not compiled by myself.
Dr Dallas Warren
A polar bear is a Cartesian bear that has undergone a polar
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