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input.zip
Hello, here is my raw data and input.json.
Version: DeePMD-kit v2.2.2
When I used command "dp train input.json", this error occurs: DEEPMD INFO training without frame parameter DEEPMD INFO data stating... (this step may take long time) Traceback (most recent call last): File "xxxx/deepmd-kit/bin/dp", line 10, in <module> sys.exit(main()) File "xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/entrypoints/main.py", line 623, in main train_dp(**dict_args) File "xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/entrypoints/train.py", line 164, in train _do_work(jdata, run_opt, is_compress) File "xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/entrypoints/train.py", line 273, in _do_work model.build(train_data, stop_batch, origin_type_map=origin_type_map) File "xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/train/trainer.py", line 546, in build self.model.data_stat(data) File "xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/model/ener.py", line 112, in data_stat self._compute_input_stat( File "xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/model/ener.py", line 131, in _compute_input_stat self.descrpt.compute_input_stats( File "xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/descriptor/se_a.py", line 339, in compute_input_stats sysr, sysr2, sysa, sysa2, sysn = self._compute_dstats_sys_smth( File "xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/descriptor/se_a.py", line 769, in _compute_dstats_sys_smth dd_all = run_sess( File "xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/utils/sess.py", line 30, in run_sess return sess.run(*args, **kwargs) File "xxxx/deepmd-kit/lib/python3.10/site-packages/tensorflow/python/client/session.py", line 967, in run result = self._run(None, fetches, feed_dict, options_ptr, File "xxxx/deepmd-kit/lib/python3.10/site-packages/tensorflow/python/client/session.py", line 1164, in _run raise ValueError( ValueError: Cannot feed value of shape (3,) for Tensor d_sea_t_natoms:0, which has shape (4,)
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input.zip
Hello, here is my raw data and input.json.
Version: DeePMD-kit v2.2.2
When I used command "dp train input.json", this error occurs:
DEEPMD INFO training without frame parameter DEEPMD INFO data stating... (this step may take long time) Traceback (most recent call last): File "xxxx/deepmd-kit/bin/dp", line 10, in <module> sys.exit(main()) File "xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/entrypoints/main.py", line 623, in main train_dp(**dict_args) File "xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/entrypoints/train.py", line 164, in train _do_work(jdata, run_opt, is_compress) File "xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/entrypoints/train.py", line 273, in _do_work model.build(train_data, stop_batch, origin_type_map=origin_type_map) File "xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/train/trainer.py", line 546, in build self.model.data_stat(data) File "xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/model/ener.py", line 112, in data_stat self._compute_input_stat( File "xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/model/ener.py", line 131, in _compute_input_stat self.descrpt.compute_input_stats( File "xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/descriptor/se_a.py", line 339, in compute_input_stats sysr, sysr2, sysa, sysa2, sysn = self._compute_dstats_sys_smth( File "xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/descriptor/se_a.py", line 769, in _compute_dstats_sys_smth dd_all = run_sess( File "xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/utils/sess.py", line 30, in run_sess return sess.run(*args, **kwargs) File "xxxx/deepmd-kit/lib/python3.10/site-packages/tensorflow/python/client/session.py", line 967, in run result = self._run(None, fetches, feed_dict, options_ptr, File "xxxx/deepmd-kit/lib/python3.10/site-packages/tensorflow/python/client/session.py", line 1164, in _run raise ValueError( ValueError: Cannot feed value of shape (3,) for Tensor d_sea_t_natoms:0, which has shape (4,)
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