[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.
> Regards
> vipin
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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