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

[Carsten Kutzner]

Hi,

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.

Carsten


--
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
http://www.mpibpc.mpg.de/home/grubmueller/ihp/ckutzne