Re: [AMBER] How to know whether the sander is running parallel

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From: David A Case <case.biomaps.rutgers.edu>
Date: Fri, 5 Aug 2011 12:49:26 -0400

On Fri, Aug 05, 2011, Aimin wrote:
>
> I cannot find the word "nodes" in the mdout file.

This means you are not running in parallel. Be sure you are calling
sander.MPI or pmemd.MPI, with an appropriate mpirun command. Do the parallel
test cases work?

...dac

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Received on Fri Aug 05 2011 - 10:00:04 PDT