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deepmodeling / deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics
https://docs.deepmodeling.com/projects/deepmd/
GNU Lesser General Public License v3.0
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OP pt: add contiguous in grad output #3917

Closed CaRoLZhangxy closed 1 week ago

CaRoLZhangxy commented 1 week ago

https://github.com/deepmodeling/deepmd-kit/issues/3910

Summary by CodeRabbit

coderabbitai[bot] commented 1 week ago
Walkthrough ## Walkthrough The recent update made to the `Border` class in `comm.cc` involves a small but important modification. Specifically, when assigning the `d_local_g1_tensor` variable, it now calls the `contiguous()` function on `grad_output[0]`. This ensures that the tensor’s memory layout is continuous, which can lead to performance improvements and prevent potential errors due to non-contiguous memory arrangements. ## Changes | File | Change Summary | |----------------------------|--------------------------------------------------------------------------| | `.../op/pt/comm.cc` | Updated the assignment of `d_local_g1_tensor` to include `contiguous()`. |
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Commits Files that changed from the base of the PR and between 17cdcb0d59460b1baf487804259706fc6bd28cae and d18c43285969987af6520f1727f57264e80f620e.
Files selected for processing (1) * source/op/pt/comm.cc (1 hunks)
Additional comments not posted (1)
source/op/pt/comm.cc (1)
`200-200`: **Ensure appropriate use of `.contiguous()` for performance considerations.** The addition of `.contiguous()` ensures that the tensor is stored in a contiguous block of memory, which can be necessary for certain operations that expect this memory layout. However, this can also have performance implications, especially in a distributed system using MPI and potentially interacting with GPUs. It's crucial to verify that this change is indeed necessary for the operations that follow and does not introduce unnecessary overhead. If the subsequent operations require a contiguous layout, this change is justified. Otherwise, it might be beneficial to benchmark the performance impact of this change, particularly in scenarios involving large data transfers or operations.
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codecov[bot] commented 1 week ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 82.72%. Comparing base (17cdcb0) to head (d18c432).

Additional details and impacted files ```diff @@ Coverage Diff @@ ## devel #3917 +/- ## ========================================== - Coverage 82.72% 82.72% -0.01% ========================================== Files 519 519 Lines 50515 50516 +1 Branches 3015 3015 ========================================== - Hits 41791 41789 -2 - Misses 7788 7791 +3 Partials 936 936 ```

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