[gmx-users] Invalid command line argument: -np

[Chih-Ying Lin]

Hi
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 ?


Thank you
Lin







Chih-Ying Lin wrote:
>
>
> Hi
> I typed the command =>
>
> grompp_mpi -np 16 -v -f md.mdp -c 6LYZ-MD5500.gro -p 6LYZ.top -o
> 6LYZ-MD6000.tpr
>
>
> It showed =>
> Invalid command line argument: -np
>
>
> The above command works with 3.3.3 version but does not work with 4.0.5
> version.
>
>
> I was checking grompp_mpi -h and cannot know the proper command for
> compiling more than one
> nodes.
>

As of version 4.0, the -np flag is no longer necessary with grompp.

-Justin

>
> Thank you
> Lin
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