[gmx-developers] GPU Code?

[Axel Kohlmeyer]

On Fri, 30 Mar 2007, Erik Lindahl wrote:

[...]

EL> > still be a good starting point.
EL> 
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.
http://developer.nvidia.com/object/cuda.html

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.

cheers,
  axel.

EL> 
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!
EL> 
EL> Cheers,
EL> 
EL> Erik
EL> 
EL> 
EL> 
EL> 
EL> 
EL> 
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-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
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If you make something idiot-proof, the universe creates a better idiot.