[gmx-users] Apples-to-Apples comparison for dpcc benchmark
spoel at xray.bmc.uu.se
Wed Jun 15 22:55:01 CEST 2005
On Wed, 2005-06-15 at 13:53 -0500, Nathan Moore wrote:
> I want to make sure that I understand the meaning of the GROMACS benchmarks.
> When I look at the logfile from a 32processor dpcc run, I see the
> following text near the end of the file:
> M E G A - F L O P S A C C O U N T I N G
> NODE (s) Real (s) (%)
> Time: 1464.000 1464.000 100.0
> (Mnbf/s) (GFlops) (ps/NODE hour) (NODE hour/ns)
> Performance: 79.584 2.878 24.590 40.667
> Do I understand correctly that the number to compare is total ps/day,
> 24.590 ps/Node-hour * 24 hours/day * 32 processors = 18,888 ps/day ?
No I'm sorry...
24.59 * 24 = 600 ps/day.
which is roughly the same as 4 Xeons at 4 times the clock.
> Additionally, the published parallel dpcc benchmarks use single precision
> and grompp options -sort and -shuffle, 5000 timesteps? Are there any
> other optimization options I should be aware of when making a comparison?
This is all.
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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