[gmx-users] benchmark numbers

vipin sachdeva vipin at cs.unm.edu
Mon Apr 9 22:03:34 CEST 2007

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:
>> 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
> spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
> _______________________________________________
> gmx-users mailing list    gmx-users at 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 gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php

More information about the gromacs.org_gmx-users mailing list