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

Optimize calculate_radial_contributions to reduce GPU memory usage #316

Merged
merged 4 commits into from
Nov 9, 2024
Merged

Optimize calculate_radial_contributions to reduce GPU memory usage #316

merged 4 commits into from
Nov 9, 2024

Commits on Nov 9, 2024

  1. the radial features of AIMNet2 had an internal representation with si… 

    …ze (nr_of_pairs, F, G) with F number of atom features and G number of radial features. The generation of this internal representation can be avoided, which is addressed in this PR
    wiederm committed Nov 9, 2024
    Configuration menu
    Copy the full SHA
    4fa5e9f View commit details
    Browse the repository at this point in the history

  2. linting changes

    wiederm committed Nov 9, 2024
    Configuration menu
    Copy the full SHA
    d55e304 View commit details
    Browse the repository at this point in the history

  3. update aimnet2 toml file, passing trainer variables

    wiederm committed Nov 9, 2024
    Configuration menu
    Copy the full SHA
    70757ee View commit details
    Browse the repository at this point in the history

  4. fix tests

    @wiederm
    wiederm committed Nov 9, 2024
    Configuration menu
    Copy the full SHA
    bac77c8 View commit details
    Browse the repository at this point in the history