Skip to content

Conversation

@wxj6000
Copy link
Owner

@wxj6000 wxj6000 commented Aug 22, 2024

No description provided.

@wxj6000
Copy link
Owner Author

wxj6000 commented Aug 23, 2024

@susilehtola This PR tries to remove the usage of unified memory in libxc. I made this changes for two reasons

  • Unified memory is not support by all the CUDA platforms. Some platforms such as windows/WSL or hypervisor disable certain or all supports of unified memory. That leads to unexpected errors.
  • Unified memory introduces significant overhead.

Here are the related issues in GPU4PySCF
pyscf/gpu4pyscf#195
pyscf/gpu4pyscf#188
and possibly related issues in libxc
https://gitlab.com/libxc/libxc/-/issues/474
https://gitlab.com/libxc/libxc/-/issues/438

@susilehtola
Copy link

I think you meant to file a pull request against libxc.

@wxj6000
Copy link
Owner Author

wxj6000 commented Nov 19, 2024

@susilehtola Right. Since there are some changes in data structure and functional kernels, I wanted to have your early evaluation.

@susilehtola
Copy link

The change history is also junk, please rebase to libxc devel branch.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

3 participants