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

Carsten Kutzner ckutzne at gwdg.de
Thu Oct 21 16:50:26 CEST 2010

On Oct 21, 2010, at 4:44 PM, Sander Pronk wrote:

> Thanks for the information; the OpenMPI recommendation is probably because OpenMPI goes to great lengths trying to avoid process migration. The numactl doesn't prevent migration as far as I can tell: it controls where memory gets allocated if it's NUMA. 
My understanding is that processes get pinned to cores with the help of 
the --physcpubind switch to numactl, but please correct me if I am wrong.

More information about the gromacs.org_gmx-users mailing list