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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Fix(load_library): When `ENABLE_CUSTOMIZED_OP = False`, change `op_info = None` to `op_info = {}` #3912

Closed Chengqian-Zhang closed 1 week ago

Chengqian-Zhang commented 1 week ago

Solve issue #3911

When I run examples/water/dpa2 using dp --pt train input_torch.json. An error occurs: To get the best performance, it is recommended to adjust the number of threads by setting the environment variables OMP_NUM_THREADS, DP_INTRA_OP_PARALLELISM_THREADS, and DP_INTER_OP_PARALLELISM_THREADS. See https://deepmd.rtfd.io/parallelism/ for more information. [2024-06-26 07:53:43,325] DEEPMD INFO DeepMD version: 2.2.0b1.dev892+g73dab63f.d20240612 [2024-06-26 07:53:43,325] DEEPMD INFO Configuration path: input_torch.json Traceback (most recent call last): File "/home/data/zhangcq/conda_env/deepmd-pt-1026/bin/dp", line 8, in sys.exit(main()) File "/home/data/zcq/deepmd-source/deepmd-kit/deepmd/main.py", line 842, in main deepmd_main(args) File "/home/data/zhangcq/conda_env/deepmd-pt-1026/lib/python3.10/site-packages/torch/distributed/elastic/multiprocessing/errors/init.py", line 346, in wrapper return f(*args, **kwargs) File "/home/data/zcq/deepmd-source/deepmd-kit/deepmd/pt/entrypoints/main.py", line 384, in main train(FLAGS) File "/home/data/zcq/deepmd-source/deepmd-kit/deepmd/pt/entrypoints/main.py", line 223, in train SummaryPrinter()() File "/home/data/zcq/deepmd-source/deepmd-kit/deepmd/utils/summary.py", line 62, in call build_info.update(self.get_backend_info()) File "/home/data/zcq/deepmd-source/deepmd-kit/deepmd/pt/entrypoints/main.py", line 213, in get_backend_info return { TypeError: 'NoneType' object is not a mapping

This bug is made by PR #3895 20240626-160240 When op_info is None, {**op_info} will raise error. Changing op_info = None to op_info = {} will solve the issue.

Summary by CodeRabbit

coderabbitai[bot] commented 1 week ago
Walkthrough ## Walkthrough The recent changes involve a minor alteration in the initialization of `op_info` within the `get_backend_info` method of a class in the `deepmd/pt/entrypoints` module. Previously, `op_info` was set to `None`, but it is now initialized as an empty dictionary `{}`. This adjustment ensures that `op_info` is always a dictionary, simplifying downstream usage and possibly preventing `NoneType` errors. ## Changes | File Path | Change Summary | |----------------------------------------|-------------------------------------------------------------------| | `deepmd/pt/entrypoints/main.py` | Initialized `op_info` as an empty dictionary `{}` instead of `None`. | ## Sequence Diagram(s) Since the changes involve only the modification of the initialization of a variable within a method, no new features or complex control flows have been introduced. Therefore, a sequence diagram is not necessary for this update.

Recent review details **Configuration used: CodeRabbit UI** **Review profile: CHILL**
Commits Files that changed from the base of the PR and between 2f18f04dfac379cfb4820f76b79a67dd27c7f602 and 1e5caa2f7a2b0f461381831977345608ebd99059.
Files selected for processing (1) * deepmd/pt/entrypoints/main.py (1 hunks)
Additional context used
Ruff
deepmd/pt/entrypoints/main.py
117-117: Local variable `f` is assigned to but never used (F841) Remove assignment to unused variable `f` --- 374-377: Use ternary operator `FLAGS = parse_args(args=args) if not isinstance(args, argparse.Namespace) else args` instead of `if`-`else`-block (SIM108) Replace `if`-`else`-block with `FLAGS = parse_args(args=args) if not isinstance(args, argparse.Namespace) else args`
Additional comments not posted (1)
deepmd/pt/entrypoints/main.py (1)
`212-212`: **Good fix to prevent TypeError in dictionary merging.** Changing `op_info` from `None` to `{}` when `ENABLE_CUSTOMIZED_OP` is `False` is a necessary fix to prevent runtime errors during dictionary merging. This change ensures that `op_info` can always be safely merged with other dictionaries.
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codecov[bot] commented 1 week ago

Codecov Report

Attention: Patch coverage is 0% with 1 line in your changes missing coverage. Please review.

Project coverage is 82.72%. Comparing base (2f18f04) to head (1e5caa2).

Files Patch % Lines
deepmd/pt/entrypoints/main.py 0.00% 1 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## devel #3912 +/- ## ======================================= Coverage 82.72% 82.72% ======================================= Files 519 519 Lines 50515 50515 Branches 3015 3015 ======================================= Hits 41790 41790 Misses 7788 7788 Partials 937 937 ```

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