[gmx-developers] GPU Code?
akohlmey at cmm.chem.upenn.edu
Fri Mar 30 19:28:54 CEST 2007
On Fri, 30 Mar 2007, Erik Lindahl wrote:
EL> > still be a good starting point.
EL> The GPU code isn't available for the time being; we're keeping it
EL> internal to a collaboration with Vijay's group until we've managed to
EL> make it slightly more generally usable so we at least can publish the
EL> algorithms/implementation before giving it away to the world :-) The
EL> problem isn't "implicit solvent", but even getting neighborlists to
EL> work, and that it partly relies on non-disclosure stuff from ATI that
EL> we aren't allowed to redistribute.
how about efforts towards writing a CUDA kernel using nVidia hardware?
which is now available without NDA.
i've seen reports that people have managed to get over 700GFlOp/s
out of a single box with three Nvidia Geforce 88XX cards.
they also have a BLAS/FFT interface etc.
EL> It _will_ get there eventually, though; we have good hopes that the
EL> new generation of R600-powered cards will make neighborlists easier
EL> since they now finally support integer datatypes!
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Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu
Center for Molecular Modeling -- University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
If you make something idiot-proof, the universe creates a better idiot.
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