Re: [AMBER] sander14 MPI produces different results depending on number of used cores

From: David A Case <>
Date: Tue, 3 Jun 2014 09:10:59 -0400

On Tue, Jun 03, 2014, David Abia wrote:
> I'm testing sander.MPI from AmberTools 14 and I'm obtaining different
> results depending on how many cores I use.

What you report seems normal to me. There is a (brief) discussion of this
point on p. 22 of the Amber14 Reference Manual.


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Received on Tue Jun 03 2014 - 06:30:02 PDT
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