[gmx-users] benchmark numbers

David van der Spoel spoel at xray.bmc.uu.se
Mon Apr 9 22:16:40 CEST 2007

vipin sachdeva wrote:
> Yes, I am really off (more than 2X for both Woodcrest and PPC970).
> I was  earlier doing the configure flags
> CC=gcc CFLAGS=-O3 LDFLAGS=-O3 --enable-ppc-altivec (--enable-x86-64-sse) 
> --enable-cpu-optimizations --enable-float --disable-threads (single node 
> results) only.
> and I found I was 2X off. I am just downloading gmxbench, doing grompp 
> inside d.villin and then just mdrun. Any more options needed for more 
> optimal performance ? Do flags for software-sqrt or static binaries only 
> also help a lot ? Both machines are for personal usage only.

Does the woodcrest box run a 64 bit OS?
For PPC970 the IBM compilers could help.
What does it mean to be 2X off? Too fast or too slow?

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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