[gmx-users] Gromacs 4.5.1 on 48 core magny-cours AMDs

Carsten Kutzner ckutzne at gwdg.de
Thu Oct 21 12:03:00 CEST 2010


does anyone have experience with AMD's 12-core Magny-Cours
processors? With 48 cores on a node it is essential that the processes
are properly pinned to the cores for optimum performance.  Numactl
can do this, but at the moment I do not get good performance with
4.5.1 and threads, which still seem to be migrating around.


Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics
Am Fassberg 11, 37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302

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