New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Checkpoint file gpu4pysct #151

Open

gk5371 opened this issue May 11, 2024 · 1 comment

Labels

feature request

gk5371 commented May 11, 2024

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.

wxj6000 added the feature request label

Collaborator

wxj6000 commented Sep 16, 2024

The checkpoint file is supported with PR #203
The feature is available since v1.0.2

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