Train start time: 2024-12-06_12:34:40
/users/PAS2490/marcusshen/miniconda3/envs/mace_env/lib/python3.10/site-packages/e3nn/o3/_wigner.py:10: FutureWarning: You are using `torch.load` with `weights_only=False` (the current default value), which uses the default pickle module implicitly. It is possible to construct malicious pickle data which will execute arbitrary code during unpickling (See https://github.com/pytorch/pytorch/blob/main/SECURITY.md#untrusted-models for more details). In a future release, the default value for `weights_only` will be flipped to `True`. This limits the functions that could be executed during unpickling. Arbitrary objects will no longer be allowed to be loaded via this mode unless they are explicitly allowlisted by the user via `torch.serialization.add_safe_globals`. We recommend you start setting `weights_only=True` for any use case where you don't have full control of the loaded file. Please open an issue on GitHub for any issues related to this experimental feature.
  _Jd, _W3j_flat, _W3j_indices = torch.load(os.path.join(os.path.dirname(__file__), 'constants.pt'))
2024-12-06 12:34:48.891 INFO: ===========VERIFYING SETTINGS===========
2024-12-06 12:34:48.891 INFO: MACE version: 0.3.9
2024-12-06 12:34:49.299 INFO: CUDA version: 12.4, CUDA device: 0
2024-12-06 12:34:49.418 INFO: ===========LOADING INPUT DATA===========
2024-12-06 12:34:49.418 INFO: Using heads: ['default']
2024-12-06 12:34:49.418 INFO: =============    Processing head default     ===========
2024-12-06 12:34:56.882 INFO: Training set [6000 configs, 0 energy, 7200000 forces] loaded from '../trainset.xyz'
2024-12-06 12:34:56.884 INFO: Using random 25% of training set for validation with indices saved in: ./valid_indices_123.txt
2024-12-06 12:34:56.885 INFO: Validaton set contains 1500 configurations [0 energy, 1800000 forces]
2024-12-06 12:34:57.503 INFO: Test set (500 configs) loaded from '../testset.xyz':
2024-12-06 12:34:57.503 INFO: Default_Default: 500 configs, 0 energy, 600000 forces
2024-12-06 12:34:57.505 INFO: Total number of configurations: train=4500, valid=1500, tests=[Default_Default: 500],
2024-12-06 12:34:57.744 INFO: Atomic Numbers used: [1, 6, 7, 8, 30]
2024-12-06 12:34:57.744 INFO: Isolated Atomic Energies (E0s) not in training file, using command line argument
2024-12-06 12:34:57.744 INFO: Atomic Energies used (z: eV) for head default: {1: -13.663181292231226, 6: -1029.2809654211628, 7: -1484.1187695035828, 8: -2042.0330099956639, 30: -500.123456789}
2024-12-06 12:37:27.471 INFO: Computing average number of neighbors
2024-12-06 12:38:30.613 INFO: Average number of neighbors: 34.41687666666667
2024-12-06 12:38:30.614 INFO: During training the following quantities will be reported: energy, forces
2024-12-06 12:38:30.615 INFO: ===========MODEL DETAILS===========
2024-12-06 12:38:40.727 WARNING: Standard deviation of the scaling is zero, Changing to no scaling
2024-12-06 12:38:40.730 INFO: Building model
2024-12-06 12:38:40.730 INFO: Message passing with 128 channels and max_L=1 (128x0e + 128x1o)
2024-12-06 12:38:40.730 INFO: 2 layers, each with correlation order: 3 (body order: 4) and spherical harmonics up to: l=3
2024-12-06 12:38:40.730 INFO: 8 radial and 5 basis functions
2024-12-06 12:38:40.730 INFO: Radial cutoff: 5.0 A (total receptive field for each atom: 10.0 A)
2024-12-06 12:38:40.730 INFO: Distance transform for radial basis functions: None
2024-12-06 12:38:40.731 INFO: Hidden irreps: 128x0e + 128x1o
/users/PAS2490/marcusshen/miniconda3/envs/mace_env/lib/python3.10/site-packages/torch/jit/_check.py:178: UserWarning: The TorchScript type system doesn't support instance-level annotations on empty non-base types in `__init__`. Instead, either 1) use a type annotation in the class body, or 2) wrap the type in `torch.jit.Attribute`.
  warnings.warn(
/users/PAS2490/marcusshen/miniconda3/envs/mace_env/lib/python3.10/site-packages/torch/jit/_check.py:178: UserWarning: The TorchScript type system doesn't support instance-level annotations on empty non-base types in `__init__`. Instead, either 1) use a type annotation in the class body, or 2) wrap the type in `torch.jit.Attribute`.
  warnings.warn(
/users/PAS2490/marcusshen/miniconda3/envs/mace_env/lib/python3.10/site-packages/torch/jit/_check.py:178: UserWarning: The TorchScript type system doesn't support instance-level annotations on empty non-base types in `__init__`. Instead, either 1) use a type annotation in the class body, or 2) wrap the type in `torch.jit.Attribute`.
  warnings.warn(
/users/PAS2490/marcusshen/miniconda3/envs/mace_env/lib/python3.10/site-packages/torch/jit/_check.py:178: UserWarning: The TorchScript type system doesn't support instance-level annotations on empty non-base types in `__init__`. Instead, either 1) use a type annotation in the class body, or 2) wrap the type in `torch.jit.Attribute`.
  warnings.warn(
/users/PAS2490/marcusshen/miniconda3/envs/mace_env/lib/python3.10/site-packages/torch/jit/_check.py:178: UserWarning: The TorchScript type system doesn't support instance-level annotations on empty non-base types in `__init__`. Instead, either 1) use a type annotation in the class body, or 2) wrap the type in `torch.jit.Attribute`.
  warnings.warn(
/users/PAS2490/marcusshen/miniconda3/envs/mace_env/lib/python3.10/site-packages/torch/jit/_check.py:178: UserWarning: The TorchScript type system doesn't support instance-level annotations on empty non-base types in `__init__`. Instead, either 1) use a type annotation in the class body, or 2) wrap the type in `torch.jit.Attribute`.
  warnings.warn(
/users/PAS2490/marcusshen/miniconda3/envs/mace_env/lib/python3.10/site-packages/torch/jit/_check.py:178: UserWarning: The TorchScript type system doesn't support instance-level annotations on empty non-base types in `__init__`. Instead, either 1) use a type annotation in the class body, or 2) wrap the type in `torch.jit.Attribute`.
  warnings.warn(
/users/PAS2490/marcusshen/miniconda3/envs/mace_env/lib/python3.10/site-packages/torch/jit/_check.py:178: UserWarning: The TorchScript type system doesn't support instance-level annotations on empty non-base types in `__init__`. Instead, either 1) use a type annotation in the class body, or 2) wrap the type in `torch.jit.Attribute`.
  warnings.warn(
/users/PAS2490/marcusshen/miniconda3/envs/mace_env/lib/python3.10/site-packages/torch/jit/_check.py:178: UserWarning: The TorchScript type system doesn't support instance-level annotations on empty non-base types in `__init__`. Instead, either 1) use a type annotation in the class body, or 2) wrap the type in `torch.jit.Attribute`.
  warnings.warn(
/users/PAS2490/marcusshen/miniconda3/envs/mace_env/lib/python3.10/site-packages/torch/jit/_check.py:178: UserWarning: The TorchScript type system doesn't support instance-level annotations on empty non-base types in `__init__`. Instead, either 1) use a type annotation in the class body, or 2) wrap the type in `torch.jit.Attribute`.
  warnings.warn(
/users/PAS2490/marcusshen/miniconda3/envs/mace_env/lib/python3.10/site-packages/torch/jit/_check.py:178: UserWarning: The TorchScript type system doesn't support instance-level annotations on empty non-base types in `__init__`. Instead, either 1) use a type annotation in the class body, or 2) wrap the type in `torch.jit.Attribute`.
  warnings.warn(
/users/PAS2490/marcusshen/miniconda3/envs/mace_env/lib/python3.10/site-packages/torch/jit/_check.py:178: UserWarning: The TorchScript type system doesn't support instance-level annotations on empty non-base types in `__init__`. Instead, either 1) use a type annotation in the class body, or 2) wrap the type in `torch.jit.Attribute`.
  warnings.warn(
/users/PAS2490/marcusshen/miniconda3/envs/mace_env/lib/python3.10/site-packages/torch/jit/_check.py:178: UserWarning: The TorchScript type system doesn't support instance-level annotations on empty non-base types in `__init__`. Instead, either 1) use a type annotation in the class body, or 2) wrap the type in `torch.jit.Attribute`.
  warnings.warn(
/users/PAS2490/marcusshen/miniconda3/envs/mace_env/lib/python3.10/site-packages/torch/jit/_check.py:178: UserWarning: The TorchScript type system doesn't support instance-level annotations on empty non-base types in `__init__`. Instead, either 1) use a type annotation in the class body, or 2) wrap the type in `torch.jit.Attribute`.
  warnings.warn(
2024-12-06 12:38:42.893 INFO: Total number of parameters: 945168
2024-12-06 12:38:42.893 INFO: 
2024-12-06 12:38:42.893 INFO: ===========OPTIMIZER INFORMATION===========
2024-12-06 12:38:42.893 INFO: Using ADAM as parameter optimizer
2024-12-06 12:38:42.893 INFO: Batch size: 10
2024-12-06 12:38:42.893 INFO: Using Exponential Moving Average with decay: 0.99
2024-12-06 12:38:42.893 INFO: Number of gradient updates: 225000
2024-12-06 12:38:42.893 INFO: Learning rate: 0.0001, weight decay: 5e-07
2024-12-06 12:38:42.893 INFO: WeightedEnergyForcesLoss(energy_weight=1.000, forces_weight=100.000)
2024-12-06 12:38:42.894 INFO: Stage Two (after 375 epochs) with loss function: WeightedEnergyForcesLoss(energy_weight=1000.000, forces_weight=100.000), with energy weight : 1000.0, forces weight : 100.0 and learning rate : 0.001
2024-12-06 12:38:42.989 WARNING: Cannot find checkpoint with tag 'MACE_model_run-123' in './checkpoints'
2024-12-06 12:38:42.990 INFO: Using gradient clipping with tolerance=10.000
2024-12-06 12:38:42.990 INFO: 
2024-12-06 12:38:42.990 INFO: ===========TRAINING===========
2024-12-06 12:38:42.990 INFO: Started training, reporting errors on validation set
2024-12-06 12:38:42.990 INFO: Loss metrics on validation set
2024-12-06 12:39:32.969 INFO: Initial: head: default, loss=0.00000000, RMSE_E_per_atom=1176669.59 meV, RMSE_F=    8.00 meV / A
2024-12-06 12:47:24.593 INFO: Epoch 0: head: default, loss=0.00000000, RMSE_E_per_atom=1176669.73 meV, RMSE_F=    7.35 meV / A
2024-12-06 12:55:13.925 INFO: Epoch 1: head: default, loss=0.00000000, RMSE_E_per_atom=1176669.86 meV, RMSE_F=    6.73 meV / A
2024-12-06 13:03:03.232 INFO: Epoch 2: head: default, loss=0.00000000, RMSE_E_per_atom=1176669.99 meV, RMSE_F=    6.08 meV / A
2024-12-06 13:10:51.982 INFO: Epoch 3: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.13 meV, RMSE_F=    5.45 meV / A
2024-12-06 13:18:41.280 INFO: Epoch 4: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.25 meV, RMSE_F=    4.86 meV / A
2024-12-06 13:26:32.766 INFO: Epoch 5: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.36 meV, RMSE_F=    4.32 meV / A
2024-12-06 13:34:21.912 INFO: Epoch 6: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.46 meV, RMSE_F=    3.82 meV / A
2024-12-06 13:42:10.804 INFO: Epoch 7: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.56 meV, RMSE_F=    3.39 meV / A
2024-12-06 13:49:59.672 INFO: Epoch 8: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.63 meV, RMSE_F=    2.99 meV / A
2024-12-06 13:57:48.013 INFO: Epoch 9: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.70 meV, RMSE_F=    2.65 meV / A
2024-12-06 14:05:36.794 INFO: Epoch 10: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.76 meV, RMSE_F=    2.34 meV / A
2024-12-06 14:13:25.985 INFO: Epoch 11: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.81 meV, RMSE_F=    2.07 meV / A
2024-12-06 14:21:15.949 INFO: Epoch 12: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.86 meV, RMSE_F=    1.84 meV / A
2024-12-06 14:29:04.759 INFO: Epoch 13: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.89 meV, RMSE_F=    1.63 meV / A
2024-12-06 14:36:53.843 INFO: Epoch 14: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.93 meV, RMSE_F=    1.44 meV / A
2024-12-06 14:44:42.849 INFO: Epoch 15: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.95 meV, RMSE_F=    1.28 meV / A
2024-12-06 14:52:31.614 INFO: Epoch 16: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.98 meV, RMSE_F=    1.13 meV / A
2024-12-06 15:00:20.525 INFO: Epoch 17: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.00 meV, RMSE_F=    1.00 meV / A
2024-12-06 15:08:10.566 INFO: Epoch 18: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.01 meV, RMSE_F=    0.89 meV / A
2024-12-06 15:16:00.104 INFO: Epoch 19: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.03 meV, RMSE_F=    0.79 meV / A
2024-12-06 15:23:48.964 INFO: Epoch 20: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.04 meV, RMSE_F=    0.70 meV / A
2024-12-06 15:31:38.181 INFO: Epoch 21: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.05 meV, RMSE_F=    0.63 meV / A
2024-12-06 15:39:27.472 INFO: Epoch 22: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.06 meV, RMSE_F=    0.56 meV / A
2024-12-06 15:47:16.440 INFO: Epoch 23: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.06 meV, RMSE_F=    0.50 meV / A
2024-12-06 15:55:05.544 INFO: Epoch 24: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.07 meV, RMSE_F=    0.44 meV / A
2024-12-06 16:02:54.671 INFO: Epoch 25: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.39 meV / A
2024-12-06 16:10:44.163 INFO: Epoch 26: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.35 meV / A
2024-12-06 16:18:33.373 INFO: Epoch 27: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.31 meV / A
2024-12-06 16:26:22.485 INFO: Epoch 28: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.28 meV / A
2024-12-06 16:34:12.258 INFO: Epoch 29: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.25 meV / A
2024-12-06 16:42:01.168 INFO: Epoch 30: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.22 meV / A
2024-12-06 16:49:50.378 INFO: Epoch 31: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.20 meV / A
2024-12-06 16:57:39.358 INFO: Epoch 32: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.18 meV / A
2024-12-06 17:05:28.065 INFO: Epoch 33: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.16 meV / A
2024-12-06 17:13:17.300 INFO: Epoch 34: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.14 meV / A
2024-12-06 17:21:05.753 INFO: Epoch 35: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.13 meV / A
2024-12-06 17:28:54.604 INFO: Epoch 36: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.11 meV / A
2024-12-06 17:36:42.893 INFO: Epoch 37: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.10 meV / A
2024-12-06 17:44:31.824 INFO: Epoch 38: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.09 meV / A
2024-12-06 17:52:20.585 INFO: Epoch 39: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.08 meV / A
2024-12-06 18:00:09.515 INFO: Epoch 40: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.08 meV / A
2024-12-06 18:07:58.202 INFO: Epoch 41: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.07 meV / A
2024-12-06 18:15:46.665 INFO: Epoch 42: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.06 meV / A
2024-12-06 18:23:35.669 INFO: Epoch 43: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.06 meV / A
2024-12-06 18:31:24.630 INFO: Epoch 44: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.05 meV / A
2024-12-06 18:39:13.535 INFO: Epoch 45: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.05 meV / A
2024-12-06 18:47:02.104 INFO: Epoch 46: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.04 meV / A
2024-12-06 18:54:50.909 INFO: Epoch 47: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.04 meV / A
2024-12-06 19:02:39.007 INFO: Epoch 48: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.04 meV / A
2024-12-06 19:10:28.431 INFO: Epoch 49: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-06 19:18:18.129 INFO: Epoch 50: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-06 19:26:06.517 INFO: Epoch 51: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-06 19:33:55.078 INFO: Epoch 52: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-06 19:41:43.309 INFO: Epoch 53: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-06 19:49:33.097 INFO: Epoch 54: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-06 19:57:21.238 INFO: Epoch 55: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-06 20:05:10.546 INFO: Epoch 56: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-06 20:12:59.008 INFO: Epoch 57: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-06 20:20:48.167 INFO: Epoch 58: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-06 20:28:37.336 INFO: Epoch 59: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-06 20:36:26.400 INFO: Epoch 60: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-06 20:44:15.352 INFO: Epoch 61: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-06 20:52:04.505 INFO: Epoch 62: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-06 20:59:53.538 INFO: Epoch 63: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-06 21:07:42.803 INFO: Epoch 64: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-06 21:15:31.567 INFO: Epoch 65: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-06 21:23:20.158 INFO: Epoch 66: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-06 21:31:08.770 INFO: Epoch 67: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-06 21:38:57.957 INFO: Epoch 68: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-06 21:46:46.854 INFO: Epoch 69: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-06 21:54:36.029 INFO: Epoch 70: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-06 22:02:24.601 INFO: Epoch 71: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-06 22:10:14.082 INFO: Epoch 72: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-06 22:18:03.590 INFO: Epoch 73: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-06 22:25:52.597 INFO: Epoch 74: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-06 22:33:41.770 INFO: Epoch 75: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-06 22:41:31.201 INFO: Epoch 76: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-06 22:49:20.030 INFO: Epoch 77: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-06 22:57:08.740 INFO: Epoch 78: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-06 23:04:57.595 INFO: Epoch 79: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-06 23:12:46.471 INFO: Epoch 80: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-06 23:20:36.063 INFO: Epoch 81: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-06 23:28:24.904 INFO: Epoch 82: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-06 23:36:13.201 INFO: Epoch 83: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-06 23:44:02.014 INFO: Epoch 84: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-06 23:51:50.576 INFO: Epoch 85: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-06 23:59:38.884 INFO: Epoch 86: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-07 00:07:27.834 INFO: Epoch 87: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-07 00:15:16.991 INFO: Epoch 88: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-07 00:23:05.382 INFO: Epoch 89: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-07 00:30:54.288 INFO: Epoch 90: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-07 00:38:42.643 INFO: Epoch 91: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-07 00:46:31.891 INFO: Epoch 92: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-07 00:54:21.750 INFO: Epoch 93: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-07 01:02:10.766 INFO: Epoch 94: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-07 01:10:00.115 INFO: Epoch 95: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-07 01:17:49.023 INFO: Epoch 96: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-07 01:25:36.042 INFO: Epoch 97: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-07 01:33:25.364 INFO: Epoch 98: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 01:41:13.659 INFO: Epoch 99: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 01:49:02.260 INFO: Epoch 100: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 01:56:50.969 INFO: Epoch 101: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 02:04:40.326 INFO: Epoch 102: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 02:12:28.796 INFO: Epoch 103: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 02:20:17.482 INFO: Epoch 104: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 02:28:06.256 INFO: Epoch 105: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 02:35:55.064 INFO: Epoch 106: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 02:43:44.180 INFO: Epoch 107: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 02:51:33.134 INFO: Epoch 108: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 02:59:22.203 INFO: Epoch 109: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 03:07:10.924 INFO: Epoch 110: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 03:15:00.108 INFO: Epoch 111: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 03:22:48.658 INFO: Epoch 112: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 03:30:37.853 INFO: Epoch 113: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 03:38:26.969 INFO: Epoch 114: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 03:46:16.010 INFO: Epoch 115: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 03:54:05.118 INFO: Epoch 116: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 04:01:53.407 INFO: Epoch 117: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 04:09:42.838 INFO: Epoch 118: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 04:17:32.179 INFO: Epoch 119: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 04:25:21.334 INFO: Epoch 120: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 04:33:09.914 INFO: Epoch 121: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 04:40:59.163 INFO: Epoch 122: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 04:48:48.050 INFO: Epoch 123: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 04:56:36.515 INFO: Epoch 124: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 05:04:25.477 INFO: Epoch 125: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 05:12:14.852 INFO: Epoch 126: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 05:20:04.233 INFO: Epoch 127: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 05:27:53.669 INFO: Epoch 128: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 05:35:42.641 INFO: Epoch 129: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 05:43:31.254 INFO: Epoch 130: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 05:51:21.502 INFO: Epoch 131: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 05:59:10.854 INFO: Epoch 132: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 06:07:00.263 INFO: Epoch 133: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 06:14:48.749 INFO: Epoch 134: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 06:22:37.080 INFO: Epoch 135: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 06:30:26.468 INFO: Epoch 136: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 06:38:16.000 INFO: Epoch 137: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 06:46:05.245 INFO: Epoch 138: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 06:53:54.476 INFO: Epoch 139: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 07:01:43.110 INFO: Epoch 140: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 07:09:32.324 INFO: Epoch 141: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 07:17:21.652 INFO: Epoch 142: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 07:25:12.010 INFO: Epoch 143: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 07:33:00.534 INFO: Epoch 144: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 07:40:50.138 INFO: Epoch 145: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 07:48:39.742 INFO: Epoch 146: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 07:56:29.172 INFO: Epoch 147: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 08:04:18.809 INFO: Epoch 148: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 08:12:08.039 INFO: Epoch 149: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 08:19:56.806 INFO: Epoch 150: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 08:27:45.607 INFO: Epoch 151: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 08:35:34.388 INFO: Epoch 152: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 08:43:22.908 INFO: Epoch 153: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 08:51:12.512 INFO: Epoch 154: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 08:59:01.507 INFO: Epoch 155: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 09:06:51.871 INFO: Epoch 156: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 09:14:41.294 INFO: Epoch 157: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 09:22:31.037 INFO: Epoch 158: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 09:30:22.005 INFO: Epoch 159: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 09:38:12.753 INFO: Epoch 160: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 09:46:01.844 INFO: Epoch 161: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 09:53:50.496 INFO: Epoch 162: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 10:01:39.441 INFO: Epoch 163: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 10:09:28.976 INFO: Epoch 164: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 10:17:18.464 INFO: Epoch 165: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 10:25:07.906 INFO: Epoch 166: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 10:32:57.367 INFO: Epoch 167: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 10:40:47.184 INFO: Epoch 168: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 10:48:36.489 INFO: Epoch 169: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 10:56:26.073 INFO: Epoch 170: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 11:04:15.446 INFO: Epoch 171: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 11:12:04.616 INFO: Epoch 172: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 11:19:54.271 INFO: Epoch 173: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 11:27:42.982 INFO: Epoch 174: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 11:35:32.442 INFO: Epoch 175: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 11:43:22.189 INFO: Epoch 176: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 11:51:11.615 INFO: Epoch 177: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 11:59:01.945 INFO: Epoch 178: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 12:06:51.614 INFO: Epoch 179: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 12:14:41.266 INFO: Epoch 180: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 12:22:30.091 INFO: Epoch 181: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 12:30:19.604 INFO: Epoch 182: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 12:38:10.202 INFO: Epoch 183: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 12:45:58.945 INFO: Epoch 184: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 12:53:48.687 INFO: Epoch 185: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 13:01:38.117 INFO: Epoch 186: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 13:09:27.774 INFO: Epoch 187: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 13:17:19.589 INFO: Epoch 188: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 13:25:09.122 INFO: Epoch 189: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 13:32:58.555 INFO: Epoch 190: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 13:40:49.779 INFO: Epoch 191: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 13:48:39.473 INFO: Epoch 192: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 13:56:29.004 INFO: Epoch 193: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 14:04:18.239 INFO: Epoch 194: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 14:12:07.810 INFO: Epoch 195: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 14:19:57.621 INFO: Epoch 196: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 14:27:47.110 INFO: Epoch 197: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 14:35:36.711 INFO: Epoch 198: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 14:43:26.037 INFO: Epoch 199: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 14:51:15.725 INFO: Epoch 200: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 14:59:06.077 INFO: Epoch 201: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 15:06:55.188 INFO: Epoch 202: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 15:14:46.676 INFO: Epoch 203: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 15:22:37.098 INFO: Epoch 204: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 15:30:26.435 INFO: Epoch 205: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 15:38:16.168 INFO: Epoch 206: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 15:46:05.371 INFO: Epoch 207: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 15:53:54.530 INFO: Epoch 208: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 16:01:44.740 INFO: Epoch 209: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 16:09:34.428 INFO: Epoch 210: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 16:17:24.318 INFO: Epoch 211: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 16:25:13.886 INFO: Epoch 212: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 16:33:03.518 INFO: Epoch 213: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 16:40:53.320 INFO: Epoch 214: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 16:48:42.823 INFO: Epoch 215: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 16:56:33.581 INFO: Epoch 216: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 17:04:23.004 INFO: Epoch 217: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 17:12:13.553 INFO: Epoch 218: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 17:20:05.834 INFO: Epoch 219: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 17:27:55.927 INFO: Epoch 220: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 17:35:47.578 INFO: Epoch 221: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 17:43:39.113 INFO: Epoch 222: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 17:51:30.378 INFO: Epoch 223: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 17:59:20.444 INFO: Epoch 224: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 18:07:10.782 INFO: Epoch 225: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 18:15:02.024 INFO: Epoch 226: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 18:22:53.678 INFO: Epoch 227: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 18:30:43.822 INFO: Epoch 228: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 18:38:34.961 INFO: Epoch 229: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 18:46:24.867 INFO: Epoch 230: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 18:54:15.443 INFO: Epoch 231: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 19:02:06.801 INFO: Epoch 232: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 19:09:56.990 INFO: Epoch 233: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 19:17:48.271 INFO: Epoch 234: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 19:25:39.572 INFO: Epoch 235: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 19:33:29.910 INFO: Epoch 236: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 19:41:21.325 INFO: Epoch 237: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 19:49:12.601 INFO: Epoch 238: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 19:57:03.927 INFO: Epoch 239: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 20:04:55.578 INFO: Epoch 240: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 20:12:46.906 INFO: Epoch 241: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 20:20:37.546 INFO: Epoch 242: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 20:28:28.011 INFO: Epoch 243: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 20:36:18.767 INFO: Epoch 244: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 20:44:10.451 INFO: Epoch 245: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 20:52:01.859 INFO: Epoch 246: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 20:59:53.379 INFO: Epoch 247: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 21:07:45.023 INFO: Epoch 248: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 21:15:36.343 INFO: Epoch 249: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 21:23:27.818 INFO: Epoch 250: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 21:31:18.563 INFO: Epoch 251: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 21:39:10.169 INFO: Epoch 252: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 21:47:01.451 INFO: Epoch 253: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 21:54:53.335 INFO: Epoch 254: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 22:02:42.956 INFO: Epoch 255: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 22:10:32.596 INFO: Epoch 256: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 22:18:22.446 INFO: Epoch 257: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 22:26:13.855 INFO: Epoch 258: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 22:34:05.488 INFO: Epoch 259: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 22:41:56.919 INFO: Epoch 260: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 22:49:48.162 INFO: Epoch 261: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 22:57:39.414 INFO: Epoch 262: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 23:05:30.991 INFO: Epoch 263: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 23:13:22.405 INFO: Epoch 264: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 23:21:14.091 INFO: Epoch 265: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 23:29:04.668 INFO: Epoch 266: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 23:36:56.258 INFO: Epoch 267: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 23:44:46.560 INFO: Epoch 268: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-07 23:52:37.872 INFO: Epoch 269: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 00:00:29.397 INFO: Epoch 270: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 00:08:19.733 INFO: Epoch 271: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 00:16:10.588 INFO: Epoch 272: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 00:24:00.788 INFO: Epoch 273: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 00:31:50.418 INFO: Epoch 274: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 00:39:40.699 INFO: Epoch 275: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 00:47:31.256 INFO: Epoch 276: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 00:55:21.959 INFO: Epoch 277: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 01:03:12.518 INFO: Epoch 278: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 01:11:03.468 INFO: Epoch 279: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 01:18:55.098 INFO: Epoch 280: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 01:26:46.334 INFO: Epoch 281: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 01:34:37.359 INFO: Epoch 282: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 01:42:28.820 INFO: Epoch 283: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 01:50:20.327 INFO: Epoch 284: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 01:58:12.003 INFO: Epoch 285: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 02:06:03.359 INFO: Epoch 286: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 02:13:54.669 INFO: Epoch 287: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 02:21:46.119 INFO: Epoch 288: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 02:29:38.357 INFO: Epoch 289: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 02:37:29.457 INFO: Epoch 290: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 02:45:21.385 INFO: Epoch 291: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 02:53:12.157 INFO: Epoch 292: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 03:01:03.732 INFO: Epoch 293: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 03:08:56.304 INFO: Epoch 294: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 03:16:48.350 INFO: Epoch 295: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 03:24:39.769 INFO: Epoch 296: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 03:32:31.807 INFO: Epoch 297: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 03:40:23.134 INFO: Epoch 298: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 03:48:14.866 INFO: Epoch 299: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 03:56:07.042 INFO: Epoch 300: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 04:03:59.263 INFO: Epoch 301: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 04:11:50.754 INFO: Epoch 302: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 04:19:42.472 INFO: Epoch 303: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 04:27:34.731 INFO: Epoch 304: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 04:35:26.135 INFO: Epoch 305: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 04:43:18.367 INFO: Epoch 306: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 04:51:09.939 INFO: Epoch 307: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 04:59:02.051 INFO: Epoch 308: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 05:06:53.317 INFO: Epoch 309: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 05:14:44.575 INFO: Epoch 310: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 05:22:35.710 INFO: Epoch 311: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 05:30:26.937 INFO: Epoch 312: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 05:38:18.291 INFO: Epoch 313: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 05:46:09.594 INFO: Epoch 314: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 05:54:00.702 INFO: Epoch 315: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 06:01:51.756 INFO: Epoch 316: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 06:09:42.745 INFO: Epoch 317: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 06:17:34.701 INFO: Epoch 318: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 06:25:26.473 INFO: Epoch 319: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 06:33:17.265 INFO: Epoch 320: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 06:41:08.259 INFO: Epoch 321: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 06:49:00.438 INFO: Epoch 322: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 06:56:51.536 INFO: Epoch 323: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 07:04:42.794 INFO: Epoch 324: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 07:12:34.376 INFO: Epoch 325: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 07:20:26.130 INFO: Epoch 326: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 07:28:17.166 INFO: Epoch 327: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 07:36:08.809 INFO: Epoch 328: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 07:44:00.020 INFO: Epoch 329: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 07:51:50.863 INFO: Epoch 330: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 07:59:41.970 INFO: Epoch 331: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
slurmstepd: error: *** JOB 254250 ON a0007 CANCELLED AT 2024-12-08T08:00:37 ***