Remove unified memory in CUDA libxc - Githubissues

pyscf / gpu4pyscf

A plugin to use Nvidia GPU in PySCF package

GNU General Public License v3.0

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Remove unified memory in CUDA libxc #180

Closed wxj6000 closed 2 weeks ago

wxj6000 commented 2 months ago

Remove the usage of unified memory in libxc.
Improved DFT screen_index kernel
Reduce the GPU memory footprint of libXC

wxj6000 commented 3 weeks ago

This PR probably can fix https://github.com/pyscf/gpu4pyscf/issues/195 and https://github.com/pyscf/gpu4pyscf/issues/188