[gmx-users] Testing Gromacs
steletch at jouy.inra.fr
Mon May 21 18:03:06 CEST 2007
Kedar Potdar a écrit :
> Hi all,
> I could build Gromacs successfully on Linux system and now I would like
> to test it. So is there a way to test Gromacs? Does the Gromacs package
> come with basic test suites? I couldn't find anything pertaining to
> testing on the Gromacs' site.
> Help in this regard will be highly appreciated.
> With warm regards,
I've done some benchmarks for our cluster based on the gmxbench, let me
know if you are interested in the test set (i've basically created a
chained benchmark, one job is launched when the first has finished), but
it may be too specific (using LAM/MPI on a sge batch system).
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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