[gmx-users] benchmark numbers
David van der Spoel
spoel at xray.bmc.uu.se
Mon Apr 9 22:28:52 CEST 2007
vipin sachdeva wrote:
> Woodcrest runs a 64 bit OS and compiles natively to a 64 bit binary. I
> am 2X slow, for instance the PPC 970 1600 mhz with 512 Kb L2 Cache (Mine
> is 2000 mhz dual-chip with 512 Kb each with one core disabled) gcc
> number for d.villin is 9443 ps/day == 9.443 ns/day. For me the number
> printed at end of GROMACS run is more like 5 ns/day. For woodcrest the
> number is 48 for same benchmark while I get close to 23. I am
> wondering why I should be this off. Do you have the binary with you to
> reproduce these numbers ? I can download the binary and run it on my
> machine, to see if it's a problem with the compile options or the
> machine performance (though I dont understand why each one of these
> should be so off). thanks for looking into this.
Have you tried the binaries on the gromacs website?
Do also check the md.log file to see if it uses assembly (SSE/Altivec)
and all that.
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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