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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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feat(pt): support `training/profiling` argument in PT #3897

Closed njzjz closed 1 week ago

njzjz commented 1 week ago

Summary by CodeRabbit

coderabbitai[bot] commented 1 week ago
Walkthrough ## Walkthrough Recent updates focus on improved profiling functionality within the `deepmd/pt/train/training.py` module. Key additions include new profiling parameters (`profiling` and `profiling_file`) and the capability to export profiling data to a Chrome trace file. The `deepmd/utils/argcheck.py` documentation has also been updated to offer clearer explanations for these profiling options. ## Changes | File | Change Summary | |--------------------------------------|-----------------------------------------------------------------------------------------------------------------------------------| | `deepmd/pt/train/training.py` | Added `profiling` and `profiling_file` parameters, implemented profiling logic, and enabled export of profiling data to a Chrome trace file. | | `deepmd/utils/argcheck.py` | Updated documentation for `profiling` and `enable_profiler` arguments to explain exporting profiling results for performance analysis. | ## Sequence Diagram(s) ```mermaid sequenceDiagram participant User participant TrainingClass participant Profiler participant ChromeTraceFile User ->> TrainingClass: Initialize with training_params TrainingClass ->> TrainingClass: Assign profiling parameters
(profiling, profiling_file) User ->> TrainingClass: Call run() TrainingClass ->> Profiler: Start profiler session if profiling enabled loop During Training Steps TrainingClass ->> Profiler: Step profiler if profiling enabled end TrainingClass ->> Profiler: Stop profiler if profiling enabled Profiler ->> ChromeTraceFile: Export profiling data
to Chrome trace file TrainingClass ->> User: Log message with location
of saved profiling trace file ```
Recent review details **Configuration used: CodeRabbit UI** **Review profile: CHILL**
Commits Files that changed from the base of the PR and between 7643cfbc445bf72856f97c3ec693b31223302bee and b60f5343cb62f06f865a8f643e3497d05208c643.
Files selected for processing (1) * deepmd/utils/argcheck.py (2 hunks)
Additional context used
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deepmd/utils/argcheck.py
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codecov[bot] commented 1 week ago

Codecov Report

Attention: Patch coverage is 70.00000% with 3 lines in your changes missing coverage. Please review.

Project coverage is 82.72%. Comparing base (a09738c) to head (b60f534). Report is 1 commits behind head on devel.

Files Patch % Lines
deepmd/pt/train/training.py 62.50% 3 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## devel #3897 +/- ## ========================================== - Coverage 82.73% 82.72% -0.01% ========================================== Files 519 519 Lines 50510 50515 +5 Branches 3018 3019 +1 ========================================== Hits 41788 41788 - Misses 7787 7790 +3 - Partials 935 937 +2 ```

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njzjz commented 1 week ago

im confused by the relationship between the options enable_profiler and profiling. could you please explain more in the doc?

I updated the documentation. While the behavior of the two options never changed, I am wondering whether we should give a more clear name.