AMBER: Amber9/mpich2 performance

From: Joseph Fernandez <>
Date: Thu, 11 May 2006 15:30:03 -0700 (PDT)

I have recently upgraded to amber9/mpich2. To my
dismay, I found a significant hit in performance when
using sander9, such that jobs running with sander8 are
up to 5 times faster. I compiled mpich2 with Intel
compiler8.1, and then compiled amber9 in parallel with
the same compiler. I realize that something must have
gone wrong, but it is not clear to me what it is.
Any help on this matter would be greatly appreciated.
I am running on a cluster with Intel xeon processors
and Red Hat Linux Entreprise 3.0.


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Received on Sun May 14 2006 - 06:07:11 PDT
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