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
1.41k stars 486 forks source link

[BUG] `TypeError: 'NoneType' object is not a mapping` when running `dp --pt train` in devel branch #3911

Closed Chengqian-Zhang closed 1 week ago

Chengqian-Zhang commented 1 week ago

Bug summary

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

I have found the reason. This bug is made by PR #3895 20240626-160240 When op_info is None, {**op_info} will raise error. I think changing op_info = None to op_info = {} will solve the issue. I will open another PR to solve this issue.

DeePMD-kit Version

newest devel

Backend and its version

pytorch

How did you download the software?

Offline packages

Input Files, Running Commands, Error Log, etc.

See above

Steps to Reproduce

See above

Further Information, Files, and Links

See above