Dalton 2018 "setup --gpu" support CUDA?

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Dalton 2018 "setup --gpu" support CUDA?

Post by dphurst » 28 May 2019, 21:32

Does Dalton 2018 support gpu calculations with CUDA on nvidia gpus with the ./setup.sh --gpu option? And, what routines are ported onto the GPU? I don't find any specifics in the manual on that topic in the installation chapter of the 2018 guide.

Should I just make sure the latest CUDA is installed and export the CUDA_HOME variable?

Thanks for your help!
Dow Hurst

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Re: Dalton 2018 "setup --gpu" support CUDA?

Post by magnus » 28 May 2019, 21:36

No, Dalton does not use GPUs. This is a remnant from a point when Dalton and LSDalton (which can use GPUs) were packaged together.

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