[gmx-users] (no subject)
amin_arab at yahoo.com
Mon Jun 21 14:00:04 CEST 2010
I've installed GROMACS 4.0.7 and MPI libraries using ubuntu synaptic package manager.
I want to run a simulation in parallel on a multi processor, single PC, but to compile via grompp, it doesn't accept -np flag, and also , using -np in mdrun, it still runs as a single job.
Thanks a lot for any instruction.
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