AMBER Archive (2006)

Subject: AMBER: Amber9/mpich2 performance

From: Joseph Fernandez (joefern9999_at_yahoo.com)
Date: Thu May 11 2006 - 17:30:03 CDT


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.

JF

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