Also, the flag --with-fft=fftw3 was also used. ( with appropriate CPPFLAGS
and LDFLAGS).
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.
Regards
vipin
On Mon, 9 Apr 2007, David van der Spoel wrote:
vipin sachdeva wrote:
Hi,
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.
________________________________________________________________________
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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