Skip to content
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

Profiling / flop count / memory access? #7

Open
blazejba opened this issue Mar 13, 2024 · 3 comments
Open

Profiling / flop count / memory access? #7

blazejba opened this issue Mar 13, 2024 · 3 comments

Comments

@blazejba
Copy link
Collaborator

No description provided.

@blazejba
Copy link
Collaborator Author

@hatemhelal according to the readme Jax implementation is twice as fast at the evaluation, I guess we want to profile that one. Is that the case?

@hatemhelal
Copy link
Owner

The pytorch version is the most used and integrated into other molecular simulation packages (LAMMPS and ASE come to mind). I think it will be more useful to have a good inference baseline with the PyTorch implementation. I think as a starting point you can use the test case in this PR: ACEsuit#310

@blazejba
Copy link
Collaborator Author

Gotcha

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
2 participants
@hatemhelal @blazejba