[CP2K:5874] Re: Performance Issue on GPU

Michael Banck mba... at debian.org
Tue Nov 18 09:53:31 UTC 2014

On Mon, Nov 17, 2014 at 11:22:31PM -0800, Samuel Andermatt wrote:
> triples += combinations(16,22) means that the elements that correspond to 
> the interaction between atoms with 16 and 22 basis functions (and 16 with 
> 16 and 22 with 22) are ported to the GPU.
> The GPU is especially efficient with somewhat larger blocks (higher quality 
> basis set).

In the long run, this would be really awesome to be generated on demand
at runtime :-/


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