[gmx-users] Benchmark performance question...

David van der Spoel spoel at xray.bmc.uu.se
Thu Dec 8 13:17:55 CET 2005


Stéphane Teletchéa wrote:
> Since my mail did not get much answer, i presume it was not clear enough...
> 
> I'm benchmarking my system and i had these results (for villin as in 
> gmxbench-3.0.tar.gz) :
>                       NbCPU     Time (real)        Perf (ns/day)
> single precision :     1          109.00           8.463
> single precision :     2          102.00           8.471
> double precision :     1          150.00           5.915
> double precision :     2          166.00           5.205
> 
> Is it possible to have only a small increase (single precision) on 1 vs 
> 2 processors (single precision) or do i need to multiply by nb of 
> processors (two) the reported performance for 2-cpus ?
> 
> Is there a file where this total performance is stored ?
It looks like you didn't run in parallel at all...
Is this a dual Xeon machine? Hyperthreading (on a P4) will make it slower.
> 
> Stéphane
> 
> System :
> Pentium IV 2*2.6 Ghz SMP
> 1GB of memory
> Gromacs 3.3 compiled with single/double precision with/without MPI 
> (mpich 1.2.5.2-5mdk)
> MandakeLinux LE2005, gcc 3.4.3-7mdk, kernel 2.6.11-6mdksmp
> 


-- 
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://xray.bmc.uu.se/~spoel
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