Re: AMBER: testing amber9 for parallel use

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Thu, 5 Jul 2007 08:22:20 -0400

tell your administrator that you can
set the DO_PARALLEL to include specification of a machinefile for MPI.


On 7/5/07, Sally Pias <sallypias.gmail.com> wrote:
>
> A new copy of Amber9 was recently installed for me on a cluster
> consisting of 4 machines, each having 4 Xeon 700MHz CPUs, giving a
> total of 16 CPUs. The administrator pointed out that all the Amber9
> parallel test scripts appear to be written for one machine only.
> Since I intend to use all 16 processors, is it necessary to test the
> parallel programs on multiple machines? If so, is there an easy way
> to do this?
>
> Thanks,
>
> Sally Pias
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Received on Sun Jul 08 2007 - 06:07:23 PDT
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