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Description
Bug summary
DeePMD-kit Version
v3.0.2
Backend and its version
PyTorch 2.6
How did you download the software?
conda
Input Files, Running Commands, Error Log, etc.
2025-03-30T17:28:06.3953360Z warnings.warn(
2025-03-30T17:28:07.3282360Z [2025-03-30 17:28:07,327] DEEPMD INFO Packing data for statistics from 1 systems
2025-03-30T17:28:07.3571920Z [2025-03-30 17:28:07,356] DEEPMD INFO RMSE of energy per atom after linear regression is: 0.004045594039254511 in the unit of energy.
2025-03-30T17:28:07.3611640Z Traceback (most recent call last):
2025-03-30T17:28:07.3613300Z File "/Users/runner/bld/deepmd-gnn_1743355259051/_test_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/bin/dp", line 8, in <module>
2025-03-30T17:28:07.3614220Z sys.exit(main())
2025-03-30T17:28:07.3615170Z File "/Users/runner/bld/deepmd-gnn_1743355259051/_test_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/lib/python3.10/site-packages/deepmd/main.py", line 927, in main
2025-03-30T17:28:07.3615980Z deepmd_main(args)
2025-03-30T17:28:07.3616990Z File "/Users/runner/bld/deepmd-gnn_1743355259051/_test_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/lib/python3.10/site-packages/torch/distributed/elastic/multiprocessing/errors/__init__.py", line 355, in wrapper
2025-03-30T17:28:07.3617870Z return f(*args, **kwargs)
2025-03-30T17:28:07.3619420Z File "/Users/runner/bld/deepmd-gnn_1743355259051/_test_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/lib/python3.10/site-packages/deepmd/pt/entrypoints/main.py", line 527, in main
2025-03-30T17:28:07.3620960Z train(
2025-03-30T17:28:07.3622730Z File "/Users/runner/bld/deepmd-gnn_1743355259051/_test_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/lib/python3.10/site-packages/deepmd/pt/entrypoints/main.py", line 339, in train
2025-03-30T17:28:07.3623670Z trainer = get_trainer(
2025-03-30T17:28:07.3624760Z File "/Users/runner/bld/deepmd-gnn_1743355259051/_test_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/lib/python3.10/site-packages/deepmd/pt/entrypoints/main.py", line 191, in get_trainer
2025-03-30T17:28:07.3625640Z trainer = training.Trainer(
2025-03-30T17:28:07.3626770Z File "/Users/runner/bld/deepmd-gnn_1743355259051/_test_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/lib/python3.10/site-packages/deepmd/pt/train/training.py", line 310, in __init__
2025-03-30T17:28:07.3630270Z ) = get_data_loader(training_data, validation_data, training_params)
2025-03-30T17:28:07.3632640Z File "/Users/runner/bld/deepmd-gnn_1743355259051/_test_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/lib/python3.10/site-packages/deepmd/pt/train/training.py", line 183, in get_data_loader
2025-03-30T17:28:07.3633680Z training_dataloader, training_data_buffered = get_dataloader_and_buffer(
2025-03-30T17:28:07.3634840Z File "/Users/runner/bld/deepmd-gnn_1743355259051/_test_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/lib/python3.10/site-packages/deepmd/pt/train/training.py", line 180, in get_dataloader_and_buffer
2025-03-30T17:28:07.3635740Z _data_buffered = BufferedIterator(iter(_dataloader))
2025-03-30T17:28:07.3636850Z File "/Users/runner/bld/deepmd-gnn_1743355259051/_test_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/lib/python3.10/site-packages/torch/utils/data/dataloader.py", line 491, in __iter__
2025-03-30T17:28:07.3643580Z return self._get_iterator()
2025-03-30T17:28:07.3645800Z File "/Users/runner/bld/deepmd-gnn_1743355259051/_test_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/lib/python3.10/site-packages/torch/utils/data/dataloader.py", line 422, in _get_iterator
2025-03-30T17:28:07.3646800Z return _MultiProcessingDataLoaderIter(self)
2025-03-30T17:28:07.3647940Z File "/Users/runner/bld/deepmd-gnn_1743355259051/_test_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/lib/python3.10/site-packages/torch/utils/data/dataloader.py", line 1146, in __init__
2025-03-30T17:28:07.3654390Z w.start()
2025-03-30T17:28:07.3657690Z File "/Users/runner/bld/deepmd-gnn_1743355259051/_test_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/lib/python3.10/multiprocessing/process.py", line 121, in start
2025-03-30T17:28:07.3658960Z self._popen = self._Popen(self)
2025-03-30T17:28:07.3660800Z File "/Users/runner/bld/deepmd-gnn_1743355259051/_test_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/lib/python3.10/multiprocessing/context.py", line 224, in _Popen
2025-03-30T17:28:07.3662520Z return _default_context.get_context().Process._Popen(process_obj)
2025-03-30T17:28:07.3664380Z File "/Users/runner/bld/deepmd-gnn_1743355259051/_test_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/lib/python3.10/multiprocessing/context.py", line 288, in _Popen
2025-03-30T17:28:07.3665350Z return Popen(process_obj)
2025-03-30T17:28:07.3666420Z File "/Users/runner/bld/deepmd-gnn_1743355259051/_test_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/lib/python3.10/multiprocessing/popen_spawn_posix.py", line 32, in __init__
2025-03-30T17:28:07.3667290Z super().__init__(process_obj)
2025-03-30T17:28:07.3668340Z File "/Users/runner/bld/deepmd-gnn_1743355259051/_test_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/lib/python3.10/multiprocessing/popen_fork.py", line 19, in __init__
2025-03-30T17:28:07.3669770Z self._launch(process_obj)
2025-03-30T17:28:07.3670990Z File "/Users/runner/bld/deepmd-gnn_1743355259051/_test_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/lib/python3.10/multiprocessing/popen_spawn_posix.py", line 47, in _launch
2025-03-30T17:28:07.3671830Z reduction.dump(process_obj, fp)
2025-03-30T17:28:07.3672870Z File "/Users/runner/bld/deepmd-gnn_1743355259051/_test_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/lib/python3.10/multiprocessing/reduction.py", line 60, in dump
2025-03-30T17:28:07.3673710Z ForkingPickler(file, protocol).dump(obj)
2025-03-30T17:28:07.3674810Z File "/Users/runner/bld/deepmd-gnn_1743355259051/_test_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/lib/python3.10/site-packages/torch/utils/data/dataloader.py", line 737, in __getstate__
2025-03-30T17:28:07.3675610Z raise NotImplementedError("{} cannot be pickled", self.__class__.__name__)
2025-03-30T17:28:07.3676270Z NotImplementedError: ('{} cannot be pickled', '_SingleProcessDataLoaderIter')
Steps to Reproduce
See above
Further Information, Files, and Links
No response