ads_8_length_6000/MACE/slurm-257538.out

Train start time: 2024-12-08_10:54:02
/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'))
2024-12-08 10:54:09.421 INFO: ===========VERIFYING SETTINGS===========
2024-12-08 10:54:09.421 INFO: MACE version: 0.3.9
2024-12-08 10:54:09.586 INFO: CUDA version: 12.4, CUDA device: 0
2024-12-08 10:54:09.685 INFO: ===========LOADING INPUT DATA===========
2024-12-08 10:54:09.685 INFO: Using heads: ['default']
2024-12-08 10:54:09.685 INFO: =============    Processing head default     ===========
2024-12-08 10:54:16.841 INFO: Training set [6000 configs, 0 energy, 6768000 forces] loaded from '../trainset.xyz'
2024-12-08 10:54:16.843 INFO: Using random 8% of training set for validation with indices saved in: ./valid_indices_123.txt
2024-12-08 10:54:16.844 INFO: Validaton set contains 499 configurations [0 energy, 562872 forces]
2024-12-08 10:54:17.436 INFO: Test set (500 configs) loaded from '../testset.xyz':
2024-12-08 10:54:17.436 INFO: Default_Default: 500 configs, 0 energy, 564000 forces
2024-12-08 10:54:17.438 INFO: Total number of configurations: train=5501, valid=499, tests=[Default_Default: 500],
2024-12-08 10:54:17.654 INFO: Atomic Numbers used: [1, 6, 7, 8, 30]
2024-12-08 10:54:17.654 INFO: Isolated Atomic Energies (E0s) not in training file, using command line argument
2024-12-08 10:54:17.655 INFO: Atomic Energies used (z: eV) for head default: {1: -13.663181292231226, 6: -1029.2809654211628, 7: -1484.1187695035828, 8: -2042.0330099956639, 30: -500.123456789}
2024-12-08 10:56:32.802 INFO: Computing average number of neighbors
2024-12-08 10:56:58.186 INFO: Average number of neighbors: 34.69836363636364
2024-12-08 10:56:58.187 INFO: During training the following quantities will be reported: energy, forces
2024-12-08 10:56:58.187 INFO: ===========MODEL DETAILS===========
2024-12-08 10:57:06.744 WARNING: Standard deviation of the scaling is zero, Changing to no scaling
2024-12-08 10:57:06.745 INFO: Building model
2024-12-08 10:57:06.745 INFO: Message passing with 128 channels and max_L=1 (128x0e + 128x1o)
2024-12-08 10:57:06.746 INFO: 2 layers, each with correlation order: 3 (body order: 4) and spherical harmonics up to: l=3
2024-12-08 10:57:06.746 INFO: 8 radial and 5 basis functions
2024-12-08 10:57:06.746 INFO: Radial cutoff: 5.0 A (total receptive field for each atom: 10.0 A)
2024-12-08 10:57:06.746 INFO: Distance transform for radial basis functions: None
2024-12-08 10:57:06.746 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(
2024-12-08 10:57:08.302 INFO: Total number of parameters: 945168
2024-12-08 10:57:08.302 INFO: 
2024-12-08 10:57:08.302 INFO: ===========OPTIMIZER INFORMATION===========
2024-12-08 10:57:08.302 INFO: Using ADAM as parameter optimizer
2024-12-08 10:57:08.302 INFO: Batch size: 10
2024-12-08 10:57:08.302 INFO: Using Exponential Moving Average with decay: 0.99
2024-12-08 10:57:08.302 INFO: Number of gradient updates: 275050
2024-12-08 10:57:08.302 INFO: Learning rate: 0.0001, weight decay: 5e-07
2024-12-08 10:57:08.302 INFO: WeightedEnergyForcesLoss(energy_weight=1.000, forces_weight=100.000)
2024-12-08 10:57:08.303 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
2024-12-08 10:57:08.393 WARNING: Cannot find checkpoint with tag 'MACE_model_run-123' in './checkpoints'
2024-12-08 10:57:08.394 INFO: Using gradient clipping with tolerance=10.000
2024-12-08 10:57:08.394 INFO: 
2024-12-08 10:57:08.394 INFO: ===========TRAINING===========
2024-12-08 10:57:08.394 INFO: Started training, reporting errors on validation set
2024-12-08 10:57:08.394 INFO: Loss metrics on validation set
2024-12-08 10:57:26.272 INFO: Initial: head: default, loss=0.00000000, RMSE_E_per_atom=1142981.64 meV, RMSE_F=    8.14 meV / A
2024-12-08 11:05:50.267 INFO: Epoch 0: head: default, loss=0.00000000, RMSE_E_per_atom=1142981.81 meV, RMSE_F=    7.34 meV / A
2024-12-08 11:14:10.788 INFO: Epoch 1: head: default, loss=0.00000000, RMSE_E_per_atom=1142981.97 meV, RMSE_F=    6.56 meV / A
2024-12-08 11:22:31.425 INFO: Epoch 2: head: default, loss=0.00000000, RMSE_E_per_atom=1142982.14 meV, RMSE_F=    5.77 meV / A
2024-12-08 11:30:52.016 INFO: Epoch 3: head: default, loss=0.00000000, RMSE_E_per_atom=1142982.29 meV, RMSE_F=    5.03 meV / A
2024-12-08 11:39:12.433 INFO: Epoch 4: head: default, loss=0.00000000, RMSE_E_per_atom=1142982.43 meV, RMSE_F=    4.35 meV / A
2024-12-08 11:47:32.820 INFO: Epoch 5: head: default, loss=0.00000000, RMSE_E_per_atom=1142982.55 meV, RMSE_F=    3.76 meV / A
2024-12-08 11:55:53.243 INFO: Epoch 6: head: default, loss=0.00000000, RMSE_E_per_atom=1142982.65 meV, RMSE_F=    3.24 meV / A
2024-12-08 12:04:13.607 INFO: Epoch 7: head: default, loss=0.00000000, RMSE_E_per_atom=1142982.74 meV, RMSE_F=    2.79 meV / A
2024-12-08 12:12:34.205 INFO: Epoch 8: head: default, loss=0.00000000, RMSE_E_per_atom=1142982.82 meV, RMSE_F=    2.40 meV / A
2024-12-08 12:20:54.870 INFO: Epoch 9: head: default, loss=0.00000000, RMSE_E_per_atom=1142982.88 meV, RMSE_F=    2.07 meV / A
2024-12-08 12:29:14.846 INFO: Epoch 10: head: default, loss=0.00000000, RMSE_E_per_atom=1142982.93 meV, RMSE_F=    1.79 meV / A
2024-12-08 12:37:35.457 INFO: Epoch 11: head: default, loss=0.00000000, RMSE_E_per_atom=1142982.97 meV, RMSE_F=    1.54 meV / A
2024-12-08 12:45:56.107 INFO: Epoch 12: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.00 meV, RMSE_F=    1.33 meV / A
2024-12-08 12:54:16.264 INFO: Epoch 13: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.03 meV, RMSE_F=    1.15 meV / A
2024-12-08 13:02:36.360 INFO: Epoch 14: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.06 meV, RMSE_F=    0.99 meV / A
2024-12-08 13:10:56.727 INFO: Epoch 15: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.07 meV, RMSE_F=    0.86 meV / A
2024-12-08 13:19:17.366 INFO: Epoch 16: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.09 meV, RMSE_F=    0.74 meV / A
2024-12-08 13:27:37.502 INFO: Epoch 17: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.10 meV, RMSE_F=    0.65 meV / A
2024-12-08 13:35:57.775 INFO: Epoch 18: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.11 meV, RMSE_F=    0.56 meV / A
2024-12-08 13:44:17.816 INFO: Epoch 19: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.12 meV, RMSE_F=    0.49 meV / A
2024-12-08 13:52:37.360 INFO: Epoch 20: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.12 meV, RMSE_F=    0.42 meV / A
2024-12-08 14:00:56.645 INFO: Epoch 21: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.37 meV / A
2024-12-08 14:09:16.129 INFO: Epoch 22: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.32 meV / A
2024-12-08 14:17:36.833 INFO: Epoch 23: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.28 meV / A
2024-12-08 14:25:57.395 INFO: Epoch 24: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.24 meV / A
2024-12-08 14:34:17.803 INFO: Epoch 25: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.21 meV / A
2024-12-08 14:42:38.175 INFO: Epoch 26: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.18 meV / A
2024-12-08 14:50:58.874 INFO: Epoch 27: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.16 meV / A
2024-12-08 14:59:19.368 INFO: Epoch 28: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.14 meV / A
2024-12-08 15:07:39.823 INFO: Epoch 29: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.12 meV / A
2024-12-08 15:16:00.192 INFO: Epoch 30: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.11 meV / A
2024-12-08 15:24:19.642 INFO: Epoch 31: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.09 meV / A
2024-12-08 15:32:39.976 INFO: Epoch 32: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.08 meV / A
2024-12-08 15:41:00.403 INFO: Epoch 33: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.07 meV / A
2024-12-08 15:49:20.082 INFO: Epoch 34: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.06 meV / A
2024-12-08 15:57:40.348 INFO: Epoch 35: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.06 meV / A
2024-12-08 16:06:00.851 INFO: Epoch 36: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.05 meV / A
2024-12-08 16:14:21.307 INFO: Epoch 37: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.05 meV / A
2024-12-08 16:22:40.847 INFO: Epoch 38: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.04 meV / A
2024-12-08 16:31:01.306 INFO: Epoch 39: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.04 meV / A
2024-12-08 16:39:21.982 INFO: Epoch 40: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.03 meV / A
2024-12-08 16:47:42.521 INFO: Epoch 41: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.03 meV / A
2024-12-08 16:56:03.028 INFO: Epoch 42: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.03 meV / A
2024-12-08 17:04:23.624 INFO: Epoch 43: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.03 meV / A
2024-12-08 17:12:43.088 INFO: Epoch 44: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.02 meV / A
2024-12-08 17:21:03.373 INFO: Epoch 45: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.02 meV / A
2024-12-08 17:29:23.582 INFO: Epoch 46: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.02 meV / A
2024-12-08 17:37:43.717 INFO: Epoch 47: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.14 meV, RMSE_F=    0.02 meV / A
2024-12-08 17:46:04.293 INFO: Epoch 48: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.02 meV / A
2024-12-08 17:54:24.520 INFO: Epoch 49: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.02 meV / A
2024-12-08 18:02:44.676 INFO: Epoch 50: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.02 meV / A
2024-12-08 18:11:05.378 INFO: Epoch 51: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 18:19:25.246 INFO: Epoch 52: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 18:27:45.721 INFO: Epoch 53: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 18:36:06.035 INFO: Epoch 54: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 18:44:26.708 INFO: Epoch 55: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 18:52:46.598 INFO: Epoch 56: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 19:01:06.734 INFO: Epoch 57: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 19:09:26.565 INFO: Epoch 58: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 19:17:46.026 INFO: Epoch 59: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 19:26:06.467 INFO: Epoch 60: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 19:34:26.996 INFO: Epoch 61: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 19:42:47.397 INFO: Epoch 62: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 19:51:07.563 INFO: Epoch 63: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 19:59:27.964 INFO: Epoch 64: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 20:07:48.613 INFO: Epoch 65: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 20:16:09.146 INFO: Epoch 66: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 20:24:29.689 INFO: Epoch 67: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 20:32:50.072 INFO: Epoch 68: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 20:41:09.434 INFO: Epoch 69: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 20:49:28.976 INFO: Epoch 70: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 20:57:49.456 INFO: Epoch 71: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 21:06:09.694 INFO: Epoch 72: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 21:14:29.213 INFO: Epoch 73: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 21:22:49.179 INFO: Epoch 74: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 21:31:08.901 INFO: Epoch 75: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 21:39:28.410 INFO: Epoch 76: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 21:47:48.936 INFO: Epoch 77: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.01 meV / A
2024-12-08 21:56:08.682 INFO: Epoch 78: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-08 22:04:29.289 INFO: Epoch 79: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-08 22:12:49.695 INFO: Epoch 80: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-08 22:21:10.223 INFO: Epoch 81: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-08 22:29:30.859 INFO: Epoch 82: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-08 22:37:50.253 INFO: Epoch 83: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-08 22:46:09.701 INFO: Epoch 84: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-08 22:54:30.273 INFO: Epoch 85: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-08 23:02:50.873 INFO: Epoch 86: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-08 23:11:11.421 INFO: Epoch 87: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-08 23:19:32.152 INFO: Epoch 88: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-08 23:27:52.696 INFO: Epoch 89: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-08 23:36:13.057 INFO: Epoch 90: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-08 23:44:33.504 INFO: Epoch 91: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-08 23:52:54.172 INFO: Epoch 92: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 00:01:14.649 INFO: Epoch 93: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 00:09:35.251 INFO: Epoch 94: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 00:17:55.521 INFO: Epoch 95: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 00:26:16.020 INFO: Epoch 96: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 00:34:36.525 INFO: Epoch 97: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 00:42:56.580 INFO: Epoch 98: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 00:51:17.157 INFO: Epoch 99: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 00:59:36.516 INFO: Epoch 100: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 01:07:55.810 INFO: Epoch 101: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 01:16:15.389 INFO: Epoch 102: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 01:24:35.884 INFO: Epoch 103: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 01:32:56.675 INFO: Epoch 104: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 01:41:16.616 INFO: Epoch 105: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 01:49:36.111 INFO: Epoch 106: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 01:57:56.564 INFO: Epoch 107: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 02:06:16.989 INFO: Epoch 108: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 02:14:37.575 INFO: Epoch 109: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 02:22:56.967 INFO: Epoch 110: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 02:31:17.614 INFO: Epoch 111: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 02:39:36.951 INFO: Epoch 112: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 02:47:56.632 INFO: Epoch 113: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 02:56:17.043 INFO: Epoch 114: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:04:37.508 INFO: Epoch 115: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:12:57.113 INFO: Epoch 116: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:21:17.482 INFO: Epoch 117: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:29:37.082 INFO: Epoch 118: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:37:57.698 INFO: Epoch 119: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:46:17.172 INFO: Epoch 120: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:54:36.591 INFO: Epoch 121: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:02:56.666 INFO: Epoch 122: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:11:16.083 INFO: Epoch 123: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:19:35.439 INFO: Epoch 124: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:27:55.858 INFO: Epoch 125: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:36:15.625 INFO: Epoch 126: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:44:36.105 INFO: Epoch 127: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:52:55.368 INFO: Epoch 128: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:01:14.712 INFO: Epoch 129: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:09:35.105 INFO: Epoch 130: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:17:55.350 INFO: Epoch 131: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:26:15.916 INFO: Epoch 132: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:34:36.325 INFO: Epoch 133: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:42:56.842 INFO: Epoch 134: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:51:16.567 INFO: Epoch 135: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:59:36.448 INFO: Epoch 136: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:07:56.988 INFO: Epoch 137: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:16:17.459 INFO: Epoch 138: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:24:37.865 INFO: Epoch 139: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:32:58.325 INFO: Epoch 140: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:41:18.025 INFO: Epoch 141: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:49:37.495 INFO: Epoch 142: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:57:58.233 INFO: Epoch 143: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:06:18.770 INFO: Epoch 144: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:14:37.959 INFO: Epoch 145: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:22:57.276 INFO: Epoch 146: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:31:16.628 INFO: Epoch 147: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:39:36.976 INFO: Epoch 148: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:47:57.138 INFO: Epoch 149: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:56:17.792 INFO: Epoch 150: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:04:37.630 INFO: Epoch 151: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:12:58.070 INFO: Epoch 152: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:21:18.569 INFO: Epoch 153: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:29:38.934 INFO: Epoch 154: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:37:59.097 INFO: Epoch 155: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:46:19.634 INFO: Epoch 156: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:54:40.197 INFO: Epoch 157: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:02:59.702 INFO: Epoch 158: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:11:20.023 INFO: Epoch 159: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:19:39.725 INFO: Epoch 160: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:28:00.127 INFO: Epoch 161: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:36:20.480 INFO: Epoch 162: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:44:40.797 INFO: Epoch 163: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:53:01.199 INFO: Epoch 164: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:01:21.650 INFO: Epoch 165: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:09:42.067 INFO: Epoch 166: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:18:02.578 INFO: Epoch 167: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:26:22.984 INFO: Epoch 168: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:34:43.505 INFO: Epoch 169: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:43:04.003 INFO: Epoch 170: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:51:23.600 INFO: Epoch 171: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:59:43.088 INFO: Epoch 172: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:08:02.509 INFO: Epoch 173: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:16:23.005 INFO: Epoch 174: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:24:43.390 INFO: Epoch 175: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:33:03.906 INFO: Epoch 176: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:41:24.437 INFO: Epoch 177: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:49:44.994 INFO: Epoch 178: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:58:05.181 INFO: Epoch 179: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:06:25.616 INFO: Epoch 180: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:14:46.017 INFO: Epoch 181: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:23:05.281 INFO: Epoch 182: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:31:24.906 INFO: Epoch 183: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:39:45.342 INFO: Epoch 184: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:48:05.942 INFO: Epoch 185: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:56:25.281 INFO: Epoch 186: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 13:04:44.680 INFO: Epoch 187: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 13:13:04.910 INFO: Epoch 188: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 13:21:25.177 INFO: Epoch 189: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 13:29:45.175 INFO: Epoch 190: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 13:38:05.510 INFO: Epoch 191: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 13:46:25.342 INFO: Epoch 192: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 13:54:45.519 INFO: Epoch 193: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 14:03:05.784 INFO: Epoch 194: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 14:11:25.495 INFO: Epoch 195: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 14:19:46.339 INFO: Epoch 196: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 14:28:06.451 INFO: Epoch 197: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 14:36:26.524 INFO: Epoch 198: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 14:44:46.846 INFO: Epoch 199: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 14:53:07.121 INFO: Epoch 200: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 15:01:26.960 INFO: Epoch 201: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 15:09:47.449 INFO: Epoch 202: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 15:18:07.080 INFO: Epoch 203: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 15:26:26.886 INFO: Epoch 204: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 15:34:46.980 INFO: Epoch 205: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 15:43:07.425 INFO: Epoch 206: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 15:51:27.633 INFO: Epoch 207: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 15:59:47.987 INFO: Epoch 208: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 16:08:07.890 INFO: Epoch 209: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 16:16:28.125 INFO: Epoch 210: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 16:24:47.867 INFO: Epoch 211: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 16:33:07.914 INFO: Epoch 212: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 16:41:27.647 INFO: Epoch 213: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 16:49:48.046 INFO: Epoch 214: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 16:58:08.405 INFO: Epoch 215: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 17:06:28.440 INFO: Epoch 216: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 17:14:48.905 INFO: Epoch 217: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 17:23:08.922 INFO: Epoch 218: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 17:31:28.376 INFO: Epoch 219: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 17:39:48.048 INFO: Epoch 220: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 17:48:08.002 INFO: Epoch 221: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 17:56:27.363 INFO: Epoch 222: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 18:04:47.192 INFO: Epoch 223: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 18:13:07.160 INFO: Epoch 224: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 18:21:27.298 INFO: Epoch 225: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 18:29:47.404 INFO: Epoch 226: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 18:38:06.799 INFO: Epoch 227: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 18:46:26.189 INFO: Epoch 228: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 18:54:46.701 INFO: Epoch 229: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 19:03:06.367 INFO: Epoch 230: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 19:11:26.751 INFO: Epoch 231: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 19:19:47.115 INFO: Epoch 232: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 19:28:07.662 INFO: Epoch 233: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 19:36:28.236 INFO: Epoch 234: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 19:44:48.622 INFO: Epoch 235: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 19:53:09.029 INFO: Epoch 236: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 20:01:29.510 INFO: Epoch 237: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 20:09:49.614 INFO: Epoch 238: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 20:18:10.002 INFO: Epoch 239: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 20:26:29.762 INFO: Epoch 240: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 20:34:49.629 INFO: Epoch 241: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 20:43:09.510 INFO: Epoch 242: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 20:51:29.322 INFO: Epoch 243: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 20:59:49.599 INFO: Epoch 244: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 21:08:09.547 INFO: Epoch 245: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 21:16:29.914 INFO: Epoch 246: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 21:24:50.466 INFO: Epoch 247: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 21:33:10.351 INFO: Epoch 248: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 21:41:30.481 INFO: Epoch 249: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 21:49:50.761 INFO: Epoch 250: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 21:58:11.166 INFO: Epoch 251: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 22:06:31.551 INFO: Epoch 252: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 22:14:51.868 INFO: Epoch 253: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 22:23:11.945 INFO: Epoch 254: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 22:31:32.207 INFO: Epoch 255: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 22:39:52.582 INFO: Epoch 256: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 22:48:12.843 INFO: Epoch 257: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 22:56:32.185 INFO: Epoch 258: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 23:04:52.509 INFO: Epoch 259: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 23:13:12.549 INFO: Epoch 260: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 23:21:32.107 INFO: Epoch 261: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 23:29:52.145 INFO: Epoch 262: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 23:38:12.650 INFO: Epoch 263: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 23:46:32.954 INFO: Epoch 264: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-09 23:54:53.127 INFO: Epoch 265: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 00:03:13.313 INFO: Epoch 266: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 00:11:33.381 INFO: Epoch 267: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 00:19:53.696 INFO: Epoch 268: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 00:28:13.956 INFO: Epoch 269: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 00:36:34.205 INFO: Epoch 270: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 00:44:54.251 INFO: Epoch 271: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 00:53:14.520 INFO: Epoch 272: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 01:01:34.682 INFO: Epoch 273: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 01:09:54.717 INFO: Epoch 274: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 01:18:14.982 INFO: Epoch 275: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 01:26:34.758 INFO: Epoch 276: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 01:34:54.823 INFO: Epoch 277: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 01:43:15.404 INFO: Epoch 278: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 01:51:35.634 INFO: Epoch 279: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 01:59:55.950 INFO: Epoch 280: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 02:08:15.732 INFO: Epoch 281: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 02:16:36.082 INFO: Epoch 282: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 02:24:56.513 INFO: Epoch 283: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 02:33:16.585 INFO: Epoch 284: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 02:41:36.912 INFO: Epoch 285: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 02:49:57.080 INFO: Epoch 286: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 02:58:18.367 INFO: Epoch 287: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 03:06:38.771 INFO: Epoch 288: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 03:14:58.274 INFO: Epoch 289: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 03:23:18.632 INFO: Epoch 290: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 03:31:39.049 INFO: Epoch 291: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 03:39:59.309 INFO: Epoch 292: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 03:48:19.532 INFO: Epoch 293: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 03:56:39.472 INFO: Epoch 294: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 04:04:58.915 INFO: Epoch 295: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 04:13:18.417 INFO: Epoch 296: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 04:21:38.612 INFO: Epoch 297: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 04:29:58.821 INFO: Epoch 298: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 04:38:18.411 INFO: Epoch 299: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 04:46:38.736 INFO: Epoch 300: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 04:54:59.066 INFO: Epoch 301: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 05:03:19.696 INFO: Epoch 302: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 05:11:40.146 INFO: Epoch 303: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 05:20:00.789 INFO: Epoch 304: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 05:28:21.228 INFO: Epoch 305: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 05:36:41.586 INFO: Epoch 306: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 05:45:02.080 INFO: Epoch 307: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 05:53:21.542 INFO: Epoch 308: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 06:01:41.324 INFO: Epoch 309: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 06:10:01.763 INFO: Epoch 310: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 06:18:22.095 INFO: Epoch 311: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 06:26:42.368 INFO: Epoch 312: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 06:35:01.674 INFO: Epoch 313: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 06:43:21.848 INFO: Epoch 314: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 06:51:41.155 INFO: Epoch 315: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 07:00:01.294 INFO: Epoch 316: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 07:08:21.718 INFO: Epoch 317: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 07:16:41.730 INFO: Epoch 318: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 07:25:02.149 INFO: Epoch 319: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 07:33:22.363 INFO: Epoch 320: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 07:41:42.580 INFO: Epoch 321: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 07:50:02.644 INFO: Epoch 322: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 07:58:22.910 INFO: Epoch 323: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 08:06:43.941 INFO: Epoch 324: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 08:15:04.109 INFO: Epoch 325: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 08:23:24.570 INFO: Epoch 326: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 08:31:45.058 INFO: Epoch 327: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 08:40:05.299 INFO: Epoch 328: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 08:48:25.690 INFO: Epoch 329: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 08:56:45.714 INFO: Epoch 330: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 09:05:05.963 INFO: Epoch 331: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 09:13:26.250 INFO: Epoch 332: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 09:21:46.425 INFO: Epoch 333: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 09:30:06.337 INFO: Epoch 334: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 09:38:26.556 INFO: Epoch 335: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 09:46:46.805 INFO: Epoch 336: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 09:55:07.295 INFO: Epoch 337: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 10:03:27.902 INFO: Epoch 338: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 10:11:50.084 INFO: Epoch 339: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 10:20:10.478 INFO: Epoch 340: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 10:28:30.607 INFO: Epoch 341: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 10:36:51.111 INFO: Epoch 342: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 10:45:10.598 INFO: Epoch 343: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 10:53:30.931 INFO: Epoch 344: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 11:01:51.569 INFO: Epoch 345: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 11:10:11.576 INFO: Epoch 346: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 11:18:31.571 INFO: Epoch 347: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 11:26:52.093 INFO: Epoch 348: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 11:35:12.466 INFO: Epoch 349: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 11:43:32.983 INFO: Epoch 350: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 11:51:53.067 INFO: Epoch 351: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 12:00:13.395 INFO: Epoch 352: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 12:08:33.497 INFO: Epoch 353: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 12:16:53.642 INFO: Epoch 354: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 12:25:13.727 INFO: Epoch 355: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 12:33:34.082 INFO: Epoch 356: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 12:41:54.381 INFO: Epoch 357: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 12:50:14.636 INFO: Epoch 358: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 12:58:34.610 INFO: Epoch 359: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 13:06:53.993 INFO: Epoch 360: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 13:15:14.368 INFO: Epoch 361: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 13:23:35.267 INFO: Epoch 362: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 13:31:55.610 INFO: Epoch 363: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 13:40:16.121 INFO: Epoch 364: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 13:48:36.455 INFO: Epoch 365: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 13:56:56.760 INFO: Epoch 366: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 14:05:16.227 INFO: Epoch 367: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 14:13:36.943 INFO: Epoch 368: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 14:21:56.794 INFO: Epoch 369: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 14:30:17.133 INFO: Epoch 370: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 14:38:36.779 INFO: Epoch 371: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 14:46:56.778 INFO: Epoch 372: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 14:55:17.013 INFO: Epoch 373: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 15:03:37.250 INFO: Epoch 374: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 15:03:37.251 INFO: Changing loss based on Stage Two Weights
2024-12-10 15:11:57.246 INFO: Epoch 375: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 15:20:17.722 INFO: Epoch 376: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 15:28:37.687 INFO: Epoch 377: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 15:36:56.997 INFO: Epoch 378: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 15:45:17.096 INFO: Epoch 379: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 15:53:36.610 INFO: Epoch 380: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 16:01:56.723 INFO: Epoch 381: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 16:10:17.720 INFO: Epoch 382: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 16:18:37.670 INFO: Epoch 383: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 16:26:57.995 INFO: Epoch 384: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 16:35:18.486 INFO: Epoch 385: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 16:43:38.523 INFO: Epoch 386: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 16:51:58.918 INFO: Epoch 387: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 17:00:19.325 INFO: Epoch 388: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 17:08:39.106 INFO: Epoch 389: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 17:16:58.467 INFO: Epoch 390: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 17:25:18.143 INFO: Epoch 391: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 17:33:38.443 INFO: Epoch 392: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 17:41:58.952 INFO: Epoch 393: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 17:50:19.195 INFO: Epoch 394: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 17:58:39.583 INFO: Epoch 395: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 18:06:59.806 INFO: Epoch 396: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 18:15:19.446 INFO: Epoch 397: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 18:23:39.683 INFO: Epoch 398: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 18:32:00.618 INFO: Epoch 399: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 18:40:21.342 INFO: Epoch 400: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 18:48:41.394 INFO: Epoch 401: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 18:57:02.021 INFO: Epoch 402: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 19:05:22.339 INFO: Epoch 403: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 19:13:42.676 INFO: Epoch 404: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 19:22:02.911 INFO: Epoch 405: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 19:30:23.502 INFO: Epoch 406: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 19:38:43.961 INFO: Epoch 407: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 19:47:03.932 INFO: Epoch 408: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 19:55:24.354 INFO: Epoch 409: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 20:03:44.722 INFO: Epoch 410: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 20:12:05.056 INFO: Epoch 411: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 20:20:25.466 INFO: Epoch 412: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 20:28:45.552 INFO: Epoch 413: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 20:37:05.654 INFO: Epoch 414: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 20:45:25.713 INFO: Epoch 415: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 20:53:45.677 INFO: Epoch 416: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 21:02:05.066 INFO: Epoch 417: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 21:10:25.682 INFO: Epoch 418: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 21:18:45.879 INFO: Epoch 419: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 21:27:05.416 INFO: Epoch 420: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 21:35:24.839 INFO: Epoch 421: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 21:43:44.413 INFO: Epoch 422: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 21:52:04.486 INFO: Epoch 423: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 22:00:24.484 INFO: Epoch 424: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 22:08:44.816 INFO: Epoch 425: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 22:17:05.063 INFO: Epoch 426: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 22:25:25.300 INFO: Epoch 427: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 22:33:45.820 INFO: Epoch 428: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 22:42:05.963 INFO: Epoch 429: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 22:50:25.930 INFO: Epoch 430: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 22:58:45.708 INFO: Epoch 431: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 23:07:05.820 INFO: Epoch 432: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 23:15:25.880 INFO: Epoch 433: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 23:23:45.808 INFO: Epoch 434: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 23:32:05.787 INFO: Epoch 435: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 23:40:26.305 INFO: Epoch 436: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 23:48:45.960 INFO: Epoch 437: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-10 23:57:06.095 INFO: Epoch 438: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 00:05:26.449 INFO: Epoch 439: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 00:13:46.808 INFO: Epoch 440: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 00:22:06.435 INFO: Epoch 441: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 00:30:26.891 INFO: Epoch 442: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 00:38:46.693 INFO: Epoch 443: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 00:47:07.059 INFO: Epoch 444: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 00:55:27.662 INFO: Epoch 445: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 01:03:48.196 INFO: Epoch 446: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 01:12:08.393 INFO: Epoch 447: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 01:20:28.862 INFO: Epoch 448: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 01:28:49.135 INFO: Epoch 449: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 01:37:09.016 INFO: Epoch 450: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 01:45:28.967 INFO: Epoch 451: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 01:53:48.938 INFO: Epoch 452: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 02:02:09.093 INFO: Epoch 453: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 02:10:29.476 INFO: Epoch 454: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 02:18:49.619 INFO: Epoch 455: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 02:27:09.831 INFO: Epoch 456: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 02:35:30.081 INFO: Epoch 457: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 02:43:50.313 INFO: Epoch 458: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 02:52:10.532 INFO: Epoch 459: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 03:00:30.665 INFO: Epoch 460: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 03:08:50.801 INFO: Epoch 461: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 03:17:10.927 INFO: Epoch 462: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 03:25:31.251 INFO: Epoch 463: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 03:33:51.457 INFO: Epoch 464: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 03:42:11.623 INFO: Epoch 465: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 03:50:31.760 INFO: Epoch 466: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 03:58:52.092 INFO: Epoch 467: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 04:07:12.173 INFO: Epoch 468: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 04:15:32.193 INFO: Epoch 469: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 04:23:52.271 INFO: Epoch 470: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 04:32:12.365 INFO: Epoch 471: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 04:40:32.382 INFO: Epoch 472: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 04:48:52.604 INFO: Epoch 473: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 04:57:12.058 INFO: Epoch 474: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 05:05:32.905 INFO: Epoch 475: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 05:13:53.327 INFO: Epoch 476: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 05:22:12.889 INFO: Epoch 477: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 05:30:32.792 INFO: Epoch 478: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 05:38:52.909 INFO: Epoch 479: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 05:47:13.232 INFO: Epoch 480: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 05:55:32.743 INFO: Epoch 481: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 06:03:52.833 INFO: Epoch 482: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 06:12:12.887 INFO: Epoch 483: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 06:20:33.222 INFO: Epoch 484: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 06:28:53.441 INFO: Epoch 485: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 06:37:13.681 INFO: Epoch 486: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 06:45:33.975 INFO: Epoch 487: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 06:53:53.254 INFO: Epoch 488: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 07:02:13.626 INFO: Epoch 489: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 07:10:33.875 INFO: Epoch 490: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 07:18:54.246 INFO: Epoch 491: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 07:27:14.757 INFO: Epoch 492: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 07:35:35.844 INFO: Epoch 493: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 07:43:56.329 INFO: Epoch 494: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 07:52:15.768 INFO: Epoch 495: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 08:00:35.789 INFO: Epoch 496: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 08:08:56.161 INFO: Epoch 497: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 08:17:16.270 INFO: Epoch 498: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 08:25:36.847 INFO: Epoch 499: head: default, loss=0.00000000, RMSE_E_per_atom=1142983.13 meV, RMSE_F=    0.00 meV / A
2024-12-11 08:25:36.847 INFO: Training complete
2024-12-11 08:25:36.847 INFO: 
2024-12-11 08:25:36.847 INFO: ===========RESULTS===========
2024-12-11 08:25:36.847 INFO: Computing metrics for training, validation, and test sets
2024-12-11 08:25:48.642 INFO: Loading checkpoint: ./checkpoints/MACE_model_run-123_epoch-0.pt
/users/PAS2490/marcusshen/miniconda3/envs/mace_env/lib/python3.10/site-packages/mace/tools/checkpoint.py:187: 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.
  torch.load(f=checkpoint_info.path, map_location=device),
2024-12-11 08:25:48.726 INFO: Loaded Stage one model from epoch 0 for evaluation
2024-12-11 08:25:48.727 INFO: Evaluating train_default ...
2024-12-11 08:28:28.450 INFO: Evaluating valid_default ...
2024-12-11 08:28:44.042 INFO: Error-table on TRAIN and VALID:
+---------------+---------------------+------------------+-------------------+
|  config_type  | RMSE E / meV / atom | RMSE F / meV / A | relative F RMSE % |
+---------------+---------------------+------------------+-------------------+
| train_default |      1142981.8      |          7.4     |    735219513.99   |
| valid_default |      1142981.8      |          7.3     |    734318199.55   |
+---------------+---------------------+------------------+-------------------+
2024-12-11 08:28:44.043 INFO: Evaluating Default_Default ...
2024-12-11 08:29:00.110 INFO: Error-table on TEST:
+-----------------+---------------------+------------------+-------------------+
|   config_type   | RMSE E / meV / atom | RMSE F / meV / A | relative F RMSE % |
+-----------------+---------------------+------------------+-------------------+
| Default_Default |      1142981.8      |          7.4     |    740243079.89   |
+-----------------+---------------------+------------------+-------------------+
2024-12-11 08:29:00.110 INFO: Saving model to checkpoints/MACE_model_run-123.model
2024-12-11 08:29:00.289 INFO: Compiling model, saving metadata to MACE_model_compiled.model
2024-12-11 08:29:00.965 INFO: Loading checkpoint: ./checkpoints/MACE_model_run-123_epoch-375_swa.pt
2024-12-11 08:29:01.082 INFO: Loaded Stage two model from epoch 375 for evaluation
2024-12-11 08:29:01.083 INFO: Evaluating train_default ...
2024-12-11 08:31:40.847 INFO: Evaluating valid_default ...
2024-12-11 08:31:56.471 INFO: Error-table on TRAIN and VALID:
+---------------+---------------------+------------------+-------------------+
|  config_type  | RMSE E / meV / atom | RMSE F / meV / A | relative F RMSE % |
+---------------+---------------------+------------------+-------------------+
| train_default |      1142983.1      |          0.0     |        184.51     |
| valid_default |      1142983.1      |          0.0     |        184.50     |
+---------------+---------------------+------------------+-------------------+
2024-12-11 08:31:56.472 INFO: Evaluating Default_Default ...
2024-12-11 08:32:12.505 INFO: Error-table on TEST:
+-----------------+---------------------+------------------+-------------------+
|   config_type   | RMSE E / meV / atom | RMSE F / meV / A | relative F RMSE % |
+-----------------+---------------------+------------------+-------------------+
| Default_Default |      1142983.1      |          0.0     |        184.55     |
+-----------------+---------------------+------------------+-------------------+
2024-12-11 08:32:12.506 INFO: Saving model to checkpoints/MACE_model_run-123_stagetwo.model
2024-12-11 08:32:12.694 INFO: Compiling model, saving metadata MACE_model_stagetwo_compiled.model
2024-12-11 08:32:13.336 INFO: Done
Train end time: 2024-12-11_08:32:15
Training duration: 250693 seconds
Training duration: 69h 38m 13s