[gmx-users] benchmark numbers

[David van der Spoel]

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.
________________________________________________________________________
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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