Traceback (most recent call last):
File "/home/xxxx/deepmd-kit/bin/dp", line 10, in <module>
sys.exit(main())
File "/home/xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/main.py", line 918, in main
deepmd_main(args)
File "/home/xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/tf/entrypoints/main.py", line 72, in main
train_dp(**dict_args)
File "/home/xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/tf/entrypoints/train.py", line 186, in train
_do_work(jdata, run_opt, is_compress)
File "/home/xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/tf/entrypoints/train.py", line 261, in _do_work
model.build(train_data, stop_batch, origin_type_map=origin_type_map)
File "/home/xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/tf/train/trainer.py", line 244, in build
self._build_network(data, suffix)
File "/home/xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/tf/train/trainer.py", line 302, in _build_network
self.l2_l, self.l2_more = self._build_loss()
File "/home/xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/tf/train/trainer.py", line 257, in _build_loss
l2_l, l2_more = self.loss.build(
File "/home/xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/tf/loss/tensor.py", line 60, in build
atomic_polar_hat = label_dict["atom_" + self.label_name]
The line number above may not be the same as original code, cuz I printed some variables.
Bug summary
File "/home/xxxx/deepmd-kit/lib/python3.10/site-packages/deepmd/tf/loss/tensor.py", line 60, in build atomic_polar_hat = labeldict["atom" + self.label_name] KeyError: 'atom_dipole'
DeePMD-kit Version
v3.0.0b0
Backend and its version
TensorFlow 2.14.0
How did you download the software?
Offline packages
Input Files, Running Commands, Error Log, etc.
Input Files
dipole_input.json
get fromdeepmd-kit/examples/water_tensor/dipole
.Running Commands
Error log
The line number above may not be the same as original code, cuz I printed some variables.
Steps to Reproduce
Files in
deepmd-kit/examples/water_tensor/dipole
.Further Information, Files, and Links
No response