[gmx-users] Testing Gromacs

[Stéphane Téletchéa]

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,
> *KEDAR*
>  

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).

Cheers,
Stéphane

-- 
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