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.
Regards,
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
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