[gmx-users] benchmark numbers
vipin at cs.unm.edu
Mon Apr 9 22:07:19 CEST 2007
Also, the flag --with-fft=fftw3 was also used. ( with appropriate CPPFLAGS
On Mon, 9 Apr 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.
> On Mon, 9 Apr 2007, David van der Spoel wrote:
>> vipin sachdeva wrote:
>>> I am trying to reproduce the benchmark numbers for PPC970 and the
>>> Woodcrest. There is no listing, that I could find, which details the
>>> compiler options (configure options), or other details that could help
>>> reproduce the numbers. If someone could provide more info on the compiler
>>> flags for those numbers, it will be very helpful.
>> How about the defaults suggested by configure? Do these lie far off the
>> numbers on the website?
>> 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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