I get one line like the following for each core in an mpi job:
5723 ? RL 0:38 /work/cneale/exe/gromacs-4.0.2/exec/bin/mdrun_mpi
-deffnm ./md5_running/s6117B2_md5 -cpt 600
5724 ? RL 0:39 /work/cneale/exe/gromacs-4.0.2/exec/bin/mdrun_mpi
-deffnm ./md5_running/s6117B2_md5 -cpt 600
...
And you mean mdrun_mpi right?
Chris.
-- original message --
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.
Catch ya,
Dr Dallas Warren
A polar bear is a Cartesian bear that has undergone a polar
transformation
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