[CP2K-user] [CP2K:19282] CP2K on CUDA

A K A 1si19bt002 at sit.ac.in
Tue Oct 3 10:28:00 UTC 2023


Hello,
I built CP2K on CUDA on an RTX 3090Ti GPU. I was running the geometry 
optimisation <https://www.cp2k.org/howto:geometry_optimisation> tutorial to 
check the GPU usage and found that my system hardly uses 13% of the GPU. Is 
there something wrong with the build? How do I verify it?

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