[gmx-users] benchmark numbers

[vipin sachdeva]

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
>> spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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