[gmx-users] Question about Athlon 64 4800+ x2 (poor performance)

Stéphane Téletchéa steletch at jouy.inra.fr
Fri May 19 11:19:21 CEST 2006

gromacs3 a écrit :
> Dear users
> I compiled Gromacs-3.3.1 from the src-rpm, on my system x86_64 FC5 
> (Athlon 64 4800+ x2, 4Gb DDR). When I tested gromacs over one of my 
> molecular system I noticed its very poor performance.
> Can anybody tell me:
> 1) What are the defaults setting used by rpmbuild to compile gromacs in 
> my system?
> 2) In case, how can I change this defaults to increase perfomance?
> 3) Can anyone give me some advice or suggestion on how I should compile 
> gromacs in this environment?
> Thank you in advance

I'm not completely familiar with Fedora (i know Mandriva), but i 
wouldn't consider the rpmrebuilding as an option for optimal performance 
(i presume default configure options are used and may not be appropriate 
with your system).

Consider building it from source, you should get a better performance, 
in-line with what is presented on the web page or on the list.



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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