[gmx-users] about the run program in gromacs 4.0.3

XAvier Periole x.periole at rug.nl
Mon Jan 26 10:54:01 CET 2009


in the gmx-4.X versions you do not need to specify the number of CPU t
grompp but only to mdrun ...
On Jan 26, 2009, at 10:29 AM, anirban polley wrote:

> Hi,
>   I have run earlier in gromacs3.3.x version in parallel processor
> but now I have installed gromacs4.0.3. But when I want to run program
> in the gromacs4.0.3, it says that
> ...............................................
> Invalid command line argument:
> -np
> ...............................................
> I am surprise by seeing it because I have run the same in older
> version by writing
> /home/anirban/gromacs/grompp  -np 8 -f grompp.mdp -p topol.top -c
> pr.gro -o pr.tpr
>
> Can you tell me what the wrong in the new version is? Why does the new
> version of gromacs could not connect nodes and says that -np does not
> valid.
> Regards,
> Anirban
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