[gmx-users] CPUs in "mdrun_mpi" command!

Yinghong xieyh at hkusua.hku.hk
Fri Jun 25 00:13:46 CEST 2004

Dear all:

It is my first time to use Gromacs with MPI version. 
Can you tell me the number of appointed CPUs when executing "mpirun -np .../mdrun_mpi...."

By the way:
In my case, if I make np=8, 16 or more, then mdrun_mpi will be terminated at the beginning. If np=4, this command can work, but its efficiency is  not obviously faster than series computation.
Thanks a lot!

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