Shared memory parallelization for short range forces - #5097
Merged
Conversation
hidekb
marked this pull request as draft
May 30, 2025 18:20
hidekb
changed the title
hidekb
changed the title
jngrad
marked this pull request as ready for review
August 7, 2025 11:54
jngrad
previously approved these changes
Aug 7, 2025
jngrad
left a comment
jngrad
left a comment
Member
There was a problem hiding this comment.
Thanks a lot! OpenMP performance is now in the same ballpark as MPI.
LJ with 8000 particles in total:
- 480 ps/step with 4 MPI ranks
- 530 ps/step with 4 OMP threads (before this PR: 1340 ps/step)
P3M with 8000 particles in total:
- 3.3 ms/step with 4 MPI ranks
- 4.1 ms/step with 4 OMP threads (before this PR: 7.0 ms/step)
jngrad
marked this pull request as ready for review
August 8, 2025 19:31
jngrad
approved these changes
Aug 8, 2025
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
3 participants
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
Follow up on #5051.
Convert arrays of structs (AoS) to structs of arrays (SoA) to improve performance of the short-range loop.