GPU acceleration for PBC system calculation
Open
Nobody has claimed this yet.
feature request
- Dominant language
- Cuda
- Stars
- 351
- Forks
- 84
- Avg merge
- 3d 2h
- Merged PRs (30d)
- 35
Description
Greetings to the team!
Much obliged to this nice software. I am looking forward to the implementation of GPU acceleration for PBC system calculation. Hope all many-kpoints scf calculation can be done on GPU soon. Thanks a lot.
Contributor guide
First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
Start by locating the existing PBC system and many-kpoint SCF calculation entry points and determining which paths currently run on the GPU or CPU. Done means defining and implementing GPU acceleration for the requested PBC calculations, with coverage for many-kpoint SCF work.
Written by the indexing model from the issue text.
Assessment
- Domain
- performance
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 20/100