Does anyone have an example of using Dalton to get VCD and/or ECD data for publication similar to how people use Gaussian? Just an input file for a biologically relevant molecule would be wonderful to have to start out with. I appreciate the help!
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- 28 May 2019, 21:32
- Forum: Installing Dalton
- Topic: Dalton 2018 "setup --gpu" support CUDA?
- Replies: 1
- Views: 1478
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 ...