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[BUG] Hybrid descriptors not working #1211

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Dankomaister opened this issue Oct 14, 2021 · 0 comments · Fixed by #1214
Closed

[BUG] Hybrid descriptors not working #1211

Dankomaister opened this issue Oct 14, 2021 · 0 comments · Fixed by #1214
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bug reproduced This bug has been reproduced by developers

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@Dankomaister
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Summary

Running the water example with hybrid descriptors is not working, gives the following error:

  File "/home/daniel/.conda/envs/deepmd2/bin/dp", line 10, in <module>
    sys.exit(main())
  File "/home/daniel/.conda/envs/deepmd2/lib/python3.9/site-packages/deepmd/entrypoints/main.py", line 437, in main
    train_dp(**dict_args)
  File "/home/daniel/.conda/envs/deepmd2/lib/python3.9/site-packages/deepmd/entrypoints/train.py", line 103, in train
    _do_work(jdata, run_opt, is_compress)
  File "/home/daniel/.conda/envs/deepmd2/lib/python3.9/site-packages/deepmd/entrypoints/train.py", line 127, in _do_work
    model = DPTrainer(jdata, run_opt=run_opt, is_compress = is_compress)
  File "/home/daniel/.conda/envs/deepmd2/lib/python3.9/site-packages/deepmd/train/trainer.py", line 52, in __init__
    self._init_param(jdata)
  File "/home/daniel/.conda/envs/deepmd2/lib/python3.9/site-packages/deepmd/train/trainer.py", line 70, in _init_param
    self.descrpt = Descriptor(**descrpt_param)
  File "/home/daniel/.conda/envs/deepmd2/lib/python3.9/site-packages/deepmd/utils/plugin.py", line 76, in __call__
    obj.__init__(*args, **kwargs)
TypeError: __init__() got an unexpected keyword argument 'list'

Deepmd-kit version, installation way, input file, running commands, error log, etc.

Deepmd-kit version: 2.0.2
Installation way: conda create -n deepmd2 deepmd-kit=*=*gpu libdeepmd=*=*gpu lammps-dp cudatoolkit=10.1 horovod -c https://conda.deepmodeling.org
Input file: same as the example on github: deepmd-kit/examples/water/hybrid/input.json
Running command: dp train input.json

Steps to Reproduce

Run the water example with hybrid descriptors.

njzjz added a commit to njzjz/deepmd-kit that referenced this issue Oct 14, 2021
@njzjz njzjz added the reproduced This bug has been reproduced by developers label Oct 14, 2021
@njzjz njzjz linked a pull request Oct 14, 2021 that will close this issue
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