Checkpoint file gpu4pysct
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feature request
- Dominant language
- Cuda
- Stars
- 351
- Forks
- 84
- Avg merge
- 3d 2h
- Merged PRs (30d)
- 35
Description
Dear developers,
Is there a way to generate checkpoint file in a gpu4pyscf run? The usual command in pyscf mf.chkfile="file.chk" does not give an output.
Thanks.
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 checking how a gpu4pyscf run handles the PySCF mf.chkfile="file.chk" setting and whether checkpoint output is expected. Done means establishing a working way to generate a checkpoint file or documenting that the setting is unsupported.
Written by the indexing model from the issue text.
Assessment
- Domain
- hpc
- Issue type
- Bug
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100