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.

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

Allocate a huge amount of memory for 2e2e integrals #1

Open
Leticia-maria opened this issue Aug 1, 2023 · 1 comment
Open

Allocate a huge amount of memory for 2e2e integrals #1

Leticia-maria opened this issue Aug 1, 2023 · 1 comment

Comments

@Leticia-maria
Copy link
Member

 ───────────────────────────────────────────────────────────────────────
                               Time                    Allocations
                      ───────────────────────   ────────────────────────
   Tot / % measured:       97.7s /   1.7%           1.44GiB /  98.3%

 Section      ncalls     time    %tot     avg     alloc    %tot      avg
 ───────────────────────────────────────────────────────────────────────
 repulsion         1    1.64s   98.1%   1.64s   1.40GiB   99.1%  1.40GiB
 attraction        1   13.7ms    0.8%  13.7ms   4.69MiB    0.3%  4.69MiB
 kinetic_2         1   8.23ms    0.5%  8.23ms   3.40MiB    0.2%  3.40MiB
 kinetic           2   8.22ms    0.5%  4.11ms   3.92MiB    0.3%  1.96MiB
 overlap           1   1.94ms    0.1%  1.94ms    525KiB    0.0%   525KiB
 ───────────────────────────────────────────────────────────────────────
@Leticia-maria
Copy link
Member Author

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

1 participant