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
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
_______________________________________________
gmx-users mailing list    gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php

_______________________________________________
gmx-users mailing list    gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php

_______________________________________________
gmx-users mailing list    gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php

Reply via email to