[gmx-users] Re: Using gromacs on Rocks cluster

[Mark Abraham]

You need to configure your MPI environment to do so (so read its docs).
GROMACS can only do whatever that makes available.

Mark


On Tue, Nov 5, 2013 at 2:16 AM, bharat gupta <bharat.85.monu at gmail.com>wrote:

> Hi,
>
> I have installed Gromcas 4.5.6 on Rocks cluster 6.0 andmy systme is having
> 32 processors (cpu). But while running the nvt equilibration step, it uses
> only 1 cpu and the others remain idle. I have complied the Gromacs using
> enable-mpi option. How can make the mdrun use all the 32 processors ??
>
> ------
> Bharat
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