[gmx-developers] Performance checklist

[Szilárd Páll]

On Fri, Oct 12, 2012 at 6:46 PM, Roland Schulz <roland at utk.edu> wrote:

> Hi,
>
> as far as I know for Kepler one should use CUDA 5. I don't know whether it
> makes a difference for Fermi.
>

CUDA 4.2 already does support CC 3.0 (not 3.5). CUDA 5.0 has not been
released yet and the last RC has in fact introduced regressions that make
it roughly the same performance as 4.2.

I'll still update the page and let's hope NVIDIA fixes their compiler
regressions.

--
Szilárd


>
> Roland
>
> On Fri, Oct 12, 2012 at 12:36 PM, Alexey Shvetsov <alexxy at omrb.pnpi.spb.ru
> > wrote:
>
>> Hi all!
>>
>> May be also there should be some note about external linear algebra
>> library such as ATLAS, Goto blas or mkl?
>>
>> Berk Hess писал 12-10-2012 17:21:
>> > Hi,
>> >
>> > I added a performance check-list on the Gromacs site:
>> > http://www.gromacs.org/Documentation/Performance_checklist
>> >
>> > If something is unclear or you have something to add, pease tell me.
>> > Note that about half of the points on the list only apply to version
>> > 4.6.
>> >
>> > Cheers,
>> >
>> > Berk
>>
>> --
>> Best Regards,
>> Alexey 'Alexxy' Shvetsov
>> Petersburg Nuclear Physics Institute, NRC Kurchatov Institute,
>> Gatchina, Russia
>> Department of Molecular and Radiation Biophysics
>> Gentoo Team Ru
>> Gentoo Linux Dev
>> mailto:alexxyum at gmail.com
>> mailto:alexxy at gentoo.org
>> mailto:alexxy at omrb.pnpi.spb.ru
>> --
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>>
>>
>>
>>
>
>
> --
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>
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