[gmx-users] Invalid command line argument: -np
chihying2008 at gmail.com
Tue Aug 18 05:32:23 CEST 2009
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 ?
Chih-Ying Lin wrote:
> I typed the command =>
> grompp_mpi -np 16 -v -f md.mdp -c 6LYZ-MD5500.gro -p 6LYZ.top -o
> It showed =>
> Invalid command line argument: -np
> The above command works with 3.3.3 version but does not work with 4.0.5
> I was checking grompp_mpi -h and cannot know the proper command for
> compiling more than one
As of version 4.0, the -np flag is no longer necessary with grompp.
> Thank you
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