[BUG] KeyError of `atomic_dipole` or `atom_dipole`

[marvcks]

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 from deepmd-kit/examples/water_tensor/dipole.

{
  "_comment1": " model parameters",
  "model": {
    "type_map": [
      "O",
      "H"
    ],
    "descriptor": {
      "type": "se_e2_a",
      "sel": [
        46,
        92
      ],
      "rcut_smth": 3.80,
      "rcut": 4.00,
      "neuron": [
        25,
        50,
        100
      ],
      "resnet_dt": false,
      "axis_neuron": 6,
      "type_one_side": true,
      "precision": "float64",
      "seed": 1,
      "_comment2": " that's all"
    },
    "fitting_net": {
      "type": "dipole",
      "sel_type": [
        0
      ],
      "neuron": [
        100,
        100,
        100
      ],
      "resnet_dt": true,
      "precision": "float64",
      "seed": 1,
      "_comment3": " that's all"
    },
    "_comment4": " that's all"
  },
  "learning_rate": {
    "type": "exp",
    "start_lr": 0.01,
    "decay_steps": 5000,
    "_comment5": "that's all"
  },
  "loss": {
    "type": "tensor",
    "pref": 1.0,
    "pref_atomic": 1.0,
    "_comment6": " that's all"
  },
  "_comment7": " traing controls",
  "training": {
    "training_data": {
      "systems": [
        "./training_data/atomic_system",
        "./training_data/global_system"
      ],
      "batch_size": "auto",
      "_comment8": "that's all"
    },
    "validation_data": {
      "systems": [
        "./validation_data/atomic_system",
        "./validation_data/global_system"
      ],
      "batch_size": 1,
      "numb_btch": 3,
      "_comment9": "that's all"
    },
    "numb_steps": 2000,
    "seed": 10,
    "disp_file": "lcurve.out",
    "disp_freq": 100,
    "save_freq": 1000,
    "_comment10": "that's all"
  },
  "_comment11": "that's all"
}

Running Commands

dp train dipole_input.json

Error log

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.

Steps to Reproduce

Files in deepmd-kit/examples/water_tensor/dipole.

Further Information, Files, and Links

No response

[njzjz]

due to #3662

[njzjz]

Fixed in #3975