Add check to max num atoms #817
Merged
Conversation
This file contains 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
Codecov ReportAll modified and coverable lines are covered by tests ✅
|
misko
added a commit
that referenced
this pull request
Jan 17, 2025
* add assert for max_num_atoms * add test to make sure we are properly checking for max_num_elements * fix post merge Former-commit-id: d015b369657e562014a7a37baa7bd3b356ae880b
beomseok-kang
pushed a commit
to beomseok-kang/fairchem
that referenced
this pull request
Jan 27, 2025
* add assert for max_num_atoms * add test to make sure we are properly checking for max_num_elements * fix post merge Former-commit-id: 6943df40f9479669cb3a73cf62203021a833b518
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
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Outdated suggestions cannot be applied.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.
If we dont check max num atoms and run on GPU we get a weird CUDA device side assert failure with a line number that has nothing to do with the actual error. This prevents the issue by catching it early and giving a clear error message