cherry-pick #6392 to support GPU version of cal_force_cc under LCAO basis set#6582
Closed
zgn-26714 wants to merge 11 commits intodeepmodeling:LTSfrom
zgn-26714:new-LTS
Closed
cherry-pick #6392 to support GPU version of cal_force_cc under LCAO basis set#6582zgn-26714 wants to merge 11 commits intodeepmodeling:LTSfrom zgn-26714:new-LTS
zgn-26714 wants to merge 11 commits intodeepmodeling:LTSfrom
zgn-26714:new-LTS
Conversation
* support GPU version of cal_force_cc with LCAO basis * fix a bug
…h, fixing the memory error bug that occurs during direct cherry-pick.
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
2 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Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be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.
During direct cherry-picking, CUDA memory errors occurred. After repeated local testing, it was discovered that a series of force-related functions in the LTS branch needed updates. Referencing #6448 and #6427, the bugs were fixed.