[CP2K-user] Plans for GPU support for libint/hfx operations?

Nicholas Winner nwi... at berkeley.edu
Tue Jun 1 22:29:04 UTC 2021

I was wondering if the devs have plans for pushing the expensive HFX 
integrals/derivatives onto GPUs in the near future? There has been lots of 
recent discussion about GPUs that I have seen, and now DBSCR, CP2K+ELPA for 
diagonalization, and grid collocate/integrate are are GPU compatible, but 
the big one would be hfx (for myself at least).

Are there plans for this, are their practical issues with implementing it 
beyond finding the time to write the modules?

Just curious, thanks.

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