[gmx-users] same simulation, different results

Stéphane Téletchéa steletch at jouy.inra.fr
Wed May 16 15:45:04 CEST 2007

Jim Fonseca a écrit :
> Thanks a lot--that was it.
> On May 15, 2007, at 12:42 PM, David van der Spoel wrote:

Furthermore for a real test case, i would use a monoprocessor run since 
nic interfaces and smp can introduces little artifacts (roundoffs) 
leading to divergence after a few ps, as reported by Robert Duke on the 
AMBER mailing list a while ago.


Stéphane Téletchéa, PhD.                  http://www.steletch.org
Unité Mathématique Informatique et Génome http://migale.jouy.inra.fr/mig
INRA, Domaine de Vilvert                  Tél : (33) 134 652 891
78352 Jouy-en-Josas cedex, France         Fax : (33) 134 652 901

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