Re: [AMBER] parallel amber on cluster

From: David A. Case <case.biomaps.rutgers.edu>
Date: Mon, 18 May 2009 12:54:18 +0100

On Mon, May 18, 2009, Siavoush Dastmalchi wrote:
>
> mpirun -np 8 /opt/amber9/exe/sander -O -i min.in ...
                              ^^^^^^^

This is wrong. You need to run sander.MPI (not just "sander") for MPI runs.

...dac


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Received on Wed May 20 2009 - 17:19:02 PDT