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

[David van der Spoel]

gromacs3 wrote:
> 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.
> 
please give numbers.

did you use MPI to use the two cores?

> 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
> 
> Sergio Garay
> Biochemist
> Facultad de Bioquímica y Cs. Biológicas
> Universidad Nacional del Litoral
> Santa Fe (3000) - Argentina
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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