[gmx-users] Invalid command line argument: -np
Mark.Abraham at anu.edu.au
Tue Aug 18 05:54:48 CEST 2009
Chih-Ying Lin wrote:
> Since the -np flag is no longer necessary with grompp for the version 4.0,
> how to tell Gromacs the number of the nodes being compiled together ?
It determines the maximum number available from your MPI environment and
uses that. So your MPI configuration and/or your mpirun command's
arguments determine it.
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