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.
________________________________________________________________________
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
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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