[gmx-developers] Performance checklist
roland at utk.edu
Fri Oct 12 18:46:46 CEST 2012
as far as I know for Kepler one should use CUDA 5. I don't know whether it
makes a difference for Fermi.
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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