[gmx-users] question about parallel runing of gromacs
Mark.Abraham at anu.edu.au
Tue Mar 10 01:12:58 CET 2009
Xiang Mao wrote:
> My PC has a intel core2 cpu. I compiled gromacs under cygwin, and using
> MPICH2. After mpiboot, I use mpirun -n 2 mdrun_mpi .... to run EM, MD.
OK that might be working right. Now you need to look in the log file for
an indication of whether the run has two component processes or one -
right at the top, usually.
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