DFT with Cuda


Clicked A Few Times
Hello,

Is it possible to run DFT calculations on a Cuda GPU? I saw a paper about this(http://worldcomp-proceedings.com/proc/p2012/PDP3929.pdf) and wanted to know how I can do the same.

Thanks

Forum Vet
No, the DFT code in NWChem cannot run on GPU hardware


Forum >> NWChem's corner >> Running NWChem