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
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
