Train start time: 2024-12-08_10:05:27
/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 10:05:34.302 INFO: ===========VERIFYING SETTINGS===========
2024-12-08 10:05:34.303 INFO: MACE version: 0.3.9
2024-12-08 10:05:34.548 INFO: CUDA version: 12.4, CUDA device: 0
2024-12-08 10:05:34.661 INFO: ===========LOADING INPUT DATA===========
2024-12-08 10:05:34.661 INFO: Using heads: ['default']
2024-12-08 10:05:34.661 INFO: =============    Processing head default     ===========
2024-12-08 10:05:37.377 INFO: Training set [2000 configs, 0 energy, 2688000 forces] loaded from '../trainset.xyz'
2024-12-08 10:05:37.379 INFO: Using random 25% of training set for validation with indices saved in: ./valid_indices_123.txt
2024-12-08 10:05:37.379 INFO: Validaton set contains 500 configurations [0 energy, 672000 forces]
2024-12-08 10:05:38.040 INFO: Test set (500 configs) loaded from '../testset.xyz':
2024-12-08 10:05:38.041 INFO: Default_Default: 500 configs, 0 energy, 672000 forces
2024-12-08 10:05:38.042 INFO: Total number of configurations: train=1500, valid=500, tests=[Default_Default: 500],
2024-12-08 10:05:38.129 INFO: Atomic Numbers used: [1, 6, 7, 8, 30]
2024-12-08 10:05:38.129 INFO: Isolated Atomic Energies (E0s) not in training file, using command line argument
2024-12-08 10:05:38.130 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 10:06:44.021 INFO: Computing average number of neighbors
2024-12-08 10:07:03.474 INFO: Average number of neighbors: 38.7725625
2024-12-08 10:07:03.474 INFO: During training the following quantities will be reported: energy, forces
2024-12-08 10:07:03.474 INFO: ===========MODEL DETAILS===========
2024-12-08 10:07:06.482 WARNING: Standard deviation of the scaling is zero, Changing to no scaling
2024-12-08 10:07:06.483 INFO: Building model
2024-12-08 10:07:06.483 INFO: Message passing with 128 channels and max_L=1 (128x0e + 128x1o)
2024-12-08 10:07:06.483 INFO: 2 layers, each with correlation order: 3 (body order: 4) and spherical harmonics up to: l=3
2024-12-08 10:07:06.483 INFO: 8 radial and 5 basis functions
2024-12-08 10:07:06.483 INFO: Radial cutoff: 5.0 A (total receptive field for each atom: 10.0 A)
2024-12-08 10:07:06.483 INFO: Distance transform for radial basis functions: None
2024-12-08 10:07:06.483 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 10:07:07.806 INFO: Total number of parameters: 945168
2024-12-08 10:07:07.806 INFO: 
2024-12-08 10:07:07.806 INFO: ===========OPTIMIZER INFORMATION===========
2024-12-08 10:07:07.806 INFO: Using ADAM as parameter optimizer
2024-12-08 10:07:07.807 INFO: Batch size: 10
2024-12-08 10:07:07.807 INFO: Using Exponential Moving Average with decay: 0.99
2024-12-08 10:07:07.807 INFO: Number of gradient updates: 75000
2024-12-08 10:07:07.807 INFO: Learning rate: 0.0001, weight decay: 5e-07
2024-12-08 10:07:07.807 INFO: WeightedEnergyForcesLoss(energy_weight=1.000, forces_weight=100.000)
2024-12-08 10:07:07.807 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 10:07:07.894 WARNING: Cannot find checkpoint with tag 'MACE_model_run-123' in './checkpoints'
2024-12-08 10:07:07.895 INFO: Using gradient clipping with tolerance=10.000
2024-12-08 10:07:07.895 INFO: 
2024-12-08 10:07:07.895 INFO: ===========TRAINING===========
2024-12-08 10:07:07.895 INFO: Started training, reporting errors on validation set
2024-12-08 10:07:07.896 INFO: Loss metrics on validation set
2024-12-08 10:07:29.177 INFO: Initial: head: default, loss=0.00000000, RMSE_E_per_atom=1233217.52 meV, RMSE_F=    6.92 meV / A
2024-12-08 10:10:43.146 INFO: Epoch 0: head: default, loss=0.00000000, RMSE_E_per_atom=1233217.56 meV, RMSE_F=    6.73 meV / A
2024-12-08 10:13:53.679 INFO: Epoch 1: head: default, loss=0.00000000, RMSE_E_per_atom=1233217.60 meV, RMSE_F=    6.54 meV / A
2024-12-08 10:17:04.603 INFO: Epoch 2: head: default, loss=0.00000000, RMSE_E_per_atom=1233217.63 meV, RMSE_F=    6.35 meV / A
2024-12-08 10:20:15.063 INFO: Epoch 3: head: default, loss=0.00000000, RMSE_E_per_atom=1233217.67 meV, RMSE_F=    6.17 meV / A
2024-12-08 10:23:25.467 INFO: Epoch 4: head: default, loss=0.00000000, RMSE_E_per_atom=1233217.70 meV, RMSE_F=    5.99 meV / A
2024-12-08 10:26:35.974 INFO: Epoch 5: head: default, loss=0.00000000, RMSE_E_per_atom=1233217.74 meV, RMSE_F=    5.81 meV / A
2024-12-08 10:29:46.661 INFO: Epoch 6: head: default, loss=0.00000000, RMSE_E_per_atom=1233217.77 meV, RMSE_F=    5.62 meV / A
2024-12-08 10:32:57.901 INFO: Epoch 7: head: default, loss=0.00000000, RMSE_E_per_atom=1233217.81 meV, RMSE_F=    5.43 meV / A
2024-12-08 10:36:08.248 INFO: Epoch 8: head: default, loss=0.00000000, RMSE_E_per_atom=1233217.84 meV, RMSE_F=    5.24 meV / A
2024-12-08 10:39:18.675 INFO: Epoch 9: head: default, loss=0.00000000, RMSE_E_per_atom=1233217.88 meV, RMSE_F=    5.06 meV / A
2024-12-08 10:42:29.213 INFO: Epoch 10: head: default, loss=0.00000000, RMSE_E_per_atom=1233217.91 meV, RMSE_F=    4.88 meV / A
2024-12-08 10:45:39.350 INFO: Epoch 11: head: default, loss=0.00000000, RMSE_E_per_atom=1233217.95 meV, RMSE_F=    4.70 meV / A
2024-12-08 10:48:49.692 INFO: Epoch 12: head: default, loss=0.00000000, RMSE_E_per_atom=1233217.98 meV, RMSE_F=    4.53 meV / A
2024-12-08 10:52:00.408 INFO: Epoch 13: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.01 meV, RMSE_F=    4.36 meV / A
2024-12-08 10:55:10.521 INFO: Epoch 14: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.05 meV, RMSE_F=    4.19 meV / A
2024-12-08 10:58:20.839 INFO: Epoch 15: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.08 meV, RMSE_F=    4.03 meV / A
2024-12-08 11:01:31.322 INFO: Epoch 16: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.11 meV, RMSE_F=    3.87 meV / A
2024-12-08 11:04:41.497 INFO: Epoch 17: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.14 meV, RMSE_F=    3.72 meV / A
2024-12-08 11:07:51.888 INFO: Epoch 18: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.17 meV, RMSE_F=    3.58 meV / A
2024-12-08 11:11:02.417 INFO: Epoch 19: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.19 meV, RMSE_F=    3.44 meV / A
2024-12-08 11:14:12.559 INFO: Epoch 20: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.22 meV, RMSE_F=    3.30 meV / A
2024-12-08 11:17:22.931 INFO: Epoch 21: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.25 meV, RMSE_F=    3.17 meV / A
2024-12-08 11:20:33.165 INFO: Epoch 22: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.27 meV, RMSE_F=    3.04 meV / A
2024-12-08 11:23:43.416 INFO: Epoch 23: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.29 meV, RMSE_F=    2.92 meV / A
2024-12-08 11:26:54.694 INFO: Epoch 24: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.32 meV, RMSE_F=    2.80 meV / A
2024-12-08 11:30:04.935 INFO: Epoch 25: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.34 meV, RMSE_F=    2.69 meV / A
2024-12-08 11:33:15.372 INFO: Epoch 26: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.36 meV, RMSE_F=    2.58 meV / A
2024-12-08 11:36:25.589 INFO: Epoch 27: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.38 meV, RMSE_F=    2.48 meV / A
2024-12-08 11:39:35.900 INFO: Epoch 28: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.40 meV, RMSE_F=    2.38 meV / A
2024-12-08 11:42:46.564 INFO: Epoch 29: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.41 meV, RMSE_F=    2.29 meV / A
2024-12-08 11:45:56.757 INFO: Epoch 30: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.43 meV, RMSE_F=    2.20 meV / A
2024-12-08 11:49:07.152 INFO: Epoch 31: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.45 meV, RMSE_F=    2.11 meV / A
2024-12-08 11:52:17.493 INFO: Epoch 32: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.46 meV, RMSE_F=    2.02 meV / A
2024-12-08 11:55:27.883 INFO: Epoch 33: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.48 meV, RMSE_F=    1.94 meV / A
2024-12-08 11:58:38.017 INFO: Epoch 34: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.49 meV, RMSE_F=    1.87 meV / A
2024-12-08 12:01:48.287 INFO: Epoch 35: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.50 meV, RMSE_F=    1.79 meV / A
2024-12-08 12:04:58.883 INFO: Epoch 36: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.52 meV, RMSE_F=    1.72 meV / A
2024-12-08 12:08:09.316 INFO: Epoch 37: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.53 meV, RMSE_F=    1.65 meV / A
2024-12-08 12:11:19.675 INFO: Epoch 38: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.54 meV, RMSE_F=    1.59 meV / A
2024-12-08 12:14:30.073 INFO: Epoch 39: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.55 meV, RMSE_F=    1.52 meV / A
2024-12-08 12:17:40.504 INFO: Epoch 40: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.56 meV, RMSE_F=    1.46 meV / A
2024-12-08 12:20:51.063 INFO: Epoch 41: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.57 meV, RMSE_F=    1.41 meV / A
2024-12-08 12:24:01.579 INFO: Epoch 42: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.58 meV, RMSE_F=    1.35 meV / A
2024-12-08 12:27:12.086 INFO: Epoch 43: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.59 meV, RMSE_F=    1.30 meV / A
2024-12-08 12:30:22.637 INFO: Epoch 44: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.60 meV, RMSE_F=    1.25 meV / A
2024-12-08 12:33:33.183 INFO: Epoch 45: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.61 meV, RMSE_F=    1.20 meV / A
2024-12-08 12:36:43.350 INFO: Epoch 46: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.61 meV, RMSE_F=    1.15 meV / A
2024-12-08 12:39:53.523 INFO: Epoch 47: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.62 meV, RMSE_F=    1.11 meV / A
2024-12-08 12:43:03.615 INFO: Epoch 48: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.63 meV, RMSE_F=    1.06 meV / A
2024-12-08 12:46:14.034 INFO: Epoch 49: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.63 meV, RMSE_F=    1.02 meV / A
2024-12-08 12:49:24.337 INFO: Epoch 50: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.64 meV, RMSE_F=    0.98 meV / A
2024-12-08 12:52:34.570 INFO: Epoch 51: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.64 meV, RMSE_F=    0.94 meV / A
2024-12-08 12:55:45.021 INFO: Epoch 52: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.65 meV, RMSE_F=    0.91 meV / A
2024-12-08 12:58:55.416 INFO: Epoch 53: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.65 meV, RMSE_F=    0.88 meV / A
2024-12-08 13:02:05.936 INFO: Epoch 54: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.66 meV, RMSE_F=    0.85 meV / A
2024-12-08 13:05:16.253 INFO: Epoch 55: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.66 meV, RMSE_F=    0.83 meV / A
2024-12-08 13:08:26.761 INFO: Epoch 56: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.66 meV, RMSE_F=    0.80 meV / A
2024-12-08 13:11:37.305 INFO: Epoch 57: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.67 meV, RMSE_F=    0.78 meV / A
2024-12-08 13:14:47.498 INFO: Epoch 58: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.67 meV, RMSE_F=    0.75 meV / A
2024-12-08 13:17:57.807 INFO: Epoch 59: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.67 meV, RMSE_F=    0.73 meV / A
2024-12-08 13:21:08.340 INFO: Epoch 60: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.68 meV, RMSE_F=    0.71 meV / A
2024-12-08 13:24:19.010 INFO: Epoch 61: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.68 meV, RMSE_F=    0.69 meV / A
2024-12-08 13:27:29.097 INFO: Epoch 62: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.68 meV, RMSE_F=    0.67 meV / A
2024-12-08 13:30:39.620 INFO: Epoch 63: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.68 meV, RMSE_F=    0.64 meV / A
2024-12-08 13:33:49.728 INFO: Epoch 64: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.69 meV, RMSE_F=    0.63 meV / A
2024-12-08 13:37:00.159 INFO: Epoch 65: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.69 meV, RMSE_F=    0.61 meV / A
2024-12-08 13:40:10.281 INFO: Epoch 66: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.69 meV, RMSE_F=    0.59 meV / A
2024-12-08 13:43:20.676 INFO: Epoch 67: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.69 meV, RMSE_F=    0.57 meV / A
2024-12-08 13:46:30.828 INFO: Epoch 68: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.70 meV, RMSE_F=    0.55 meV / A
2024-12-08 13:49:41.386 INFO: Epoch 69: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.70 meV, RMSE_F=    0.54 meV / A
2024-12-08 13:52:51.981 INFO: Epoch 70: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.70 meV, RMSE_F=    0.52 meV / A
2024-12-08 13:56:02.334 INFO: Epoch 71: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.70 meV, RMSE_F=    0.50 meV / A
2024-12-08 13:59:12.537 INFO: Epoch 72: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.70 meV, RMSE_F=    0.49 meV / A
2024-12-08 14:02:22.851 INFO: Epoch 73: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.70 meV, RMSE_F=    0.47 meV / A
2024-12-08 14:05:33.353 INFO: Epoch 74: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.71 meV, RMSE_F=    0.46 meV / A
2024-12-08 14:08:43.576 INFO: Epoch 75: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.71 meV, RMSE_F=    0.45 meV / A
2024-12-08 14:11:54.003 INFO: Epoch 76: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.71 meV, RMSE_F=    0.43 meV / A
2024-12-08 14:15:04.561 INFO: Epoch 77: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.71 meV, RMSE_F=    0.42 meV / A
2024-12-08 14:18:15.063 INFO: Epoch 78: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.71 meV, RMSE_F=    0.41 meV / A
2024-12-08 14:21:25.656 INFO: Epoch 79: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.71 meV, RMSE_F=    0.39 meV / A
2024-12-08 14:24:35.777 INFO: Epoch 80: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.71 meV, RMSE_F=    0.38 meV / A
2024-12-08 14:27:46.224 INFO: Epoch 81: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.71 meV, RMSE_F=    0.37 meV / A
2024-12-08 14:30:56.342 INFO: Epoch 82: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.71 meV, RMSE_F=    0.36 meV / A
2024-12-08 14:34:06.617 INFO: Epoch 83: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.35 meV / A
2024-12-08 14:37:16.944 INFO: Epoch 84: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.34 meV / A
2024-12-08 14:40:27.399 INFO: Epoch 85: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.33 meV / A
2024-12-08 14:43:37.929 INFO: Epoch 86: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.32 meV / A
2024-12-08 14:46:47.986 INFO: Epoch 87: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.31 meV / A
2024-12-08 14:49:58.409 INFO: Epoch 88: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.30 meV / A
2024-12-08 14:53:08.530 INFO: Epoch 89: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.29 meV / A
2024-12-08 14:56:18.758 INFO: Epoch 90: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.28 meV / A
2024-12-08 14:59:29.216 INFO: Epoch 91: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.27 meV / A
2024-12-08 15:02:39.570 INFO: Epoch 92: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.27 meV / A
2024-12-08 15:05:50.024 INFO: Epoch 93: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.26 meV / A
2024-12-08 15:09:00.275 INFO: Epoch 94: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.25 meV / A
2024-12-08 15:12:10.659 INFO: Epoch 95: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.24 meV / A
2024-12-08 15:15:21.170 INFO: Epoch 96: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.24 meV / A
2024-12-08 15:18:31.572 INFO: Epoch 97: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.23 meV / A
2024-12-08 15:21:42.058 INFO: Epoch 98: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.22 meV / A
2024-12-08 15:24:52.495 INFO: Epoch 99: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.22 meV / A
2024-12-08 15:28:02.967 INFO: Epoch 100: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.21 meV / A
2024-12-08 15:31:13.475 INFO: Epoch 101: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.20 meV / A
2024-12-08 15:34:23.643 INFO: Epoch 102: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.20 meV / A
2024-12-08 15:37:33.972 INFO: Epoch 103: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.19 meV / A
2024-12-08 15:40:44.486 INFO: Epoch 104: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.19 meV / A
2024-12-08 15:43:54.998 INFO: Epoch 105: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.18 meV / A
2024-12-08 15:47:06.262 INFO: Epoch 106: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.18 meV / A
2024-12-08 15:50:16.551 INFO: Epoch 107: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.18 meV / A
2024-12-08 15:53:26.930 INFO: Epoch 108: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.17 meV / A
2024-12-08 15:56:37.126 INFO: Epoch 109: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.17 meV / A
2024-12-08 15:59:47.266 INFO: Epoch 110: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.16 meV / A
2024-12-08 16:02:58.174 INFO: Epoch 111: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.16 meV / A
2024-12-08 16:06:08.566 INFO: Epoch 112: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.16 meV / A
2024-12-08 16:09:19.005 INFO: Epoch 113: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.15 meV / A
2024-12-08 16:12:29.447 INFO: Epoch 114: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.15 meV / A
2024-12-08 16:15:39.918 INFO: Epoch 115: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.15 meV / A
2024-12-08 16:18:50.290 INFO: Epoch 116: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.14 meV / A
2024-12-08 16:22:00.727 INFO: Epoch 117: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.14 meV / A
2024-12-08 16:25:11.297 INFO: Epoch 118: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.14 meV / A
2024-12-08 16:28:21.763 INFO: Epoch 119: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.13 meV / A
2024-12-08 16:31:32.205 INFO: Epoch 120: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.13 meV / A
2024-12-08 16:34:42.701 INFO: Epoch 121: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.13 meV / A
2024-12-08 16:37:53.113 INFO: Epoch 122: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.12 meV / A
2024-12-08 16:41:03.328 INFO: Epoch 123: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.12 meV / A
2024-12-08 16:44:13.741 INFO: Epoch 124: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.12 meV / A
2024-12-08 16:47:24.216 INFO: Epoch 125: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.12 meV / A
2024-12-08 16:50:34.759 INFO: Epoch 126: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.11 meV / A
2024-12-08 16:53:45.208 INFO: Epoch 127: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.11 meV / A
2024-12-08 16:56:55.564 INFO: Epoch 128: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.11 meV / A
2024-12-08 17:00:05.755 INFO: Epoch 129: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.11 meV / A
2024-12-08 17:03:16.280 INFO: Epoch 130: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.10 meV / A
2024-12-08 17:06:26.754 INFO: Epoch 131: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.10 meV / A
2024-12-08 17:09:37.210 INFO: Epoch 132: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.10 meV / A
2024-12-08 17:12:47.646 INFO: Epoch 133: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.10 meV / A
2024-12-08 17:15:58.165 INFO: Epoch 134: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.09 meV / A
2024-12-08 17:19:08.656 INFO: Epoch 135: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.09 meV / A
2024-12-08 17:22:19.165 INFO: Epoch 136: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.09 meV / A
2024-12-08 17:25:29.526 INFO: Epoch 137: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.09 meV / A
2024-12-08 17:28:39.753 INFO: Epoch 138: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.09 meV / A
2024-12-08 17:31:50.264 INFO: Epoch 139: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.08 meV / A
2024-12-08 17:35:00.411 INFO: Epoch 140: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.08 meV / A
2024-12-08 17:38:10.898 INFO: Epoch 141: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.73 meV, RMSE_F=    0.08 meV / A
2024-12-08 17:41:21.471 INFO: Epoch 142: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.08 meV / A
2024-12-08 17:44:31.726 INFO: Epoch 143: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.08 meV / A
2024-12-08 17:47:42.089 INFO: Epoch 144: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.08 meV / A
2024-12-08 17:50:52.511 INFO: Epoch 145: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.07 meV / A
2024-12-08 17:54:02.921 INFO: Epoch 146: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.07 meV / A
2024-12-08 17:57:13.808 INFO: Epoch 147: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.07 meV / A
2024-12-08 18:00:24.164 INFO: Epoch 148: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.07 meV / A
2024-12-08 18:03:34.663 INFO: Epoch 149: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.07 meV / A
2024-12-08 18:06:45.091 INFO: Epoch 150: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.07 meV / A
2024-12-08 18:09:55.577 INFO: Epoch 151: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.07 meV / A
2024-12-08 18:13:06.043 INFO: Epoch 152: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.06 meV / A
2024-12-08 18:16:16.387 INFO: Epoch 153: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.06 meV / A
2024-12-08 18:19:26.499 INFO: Epoch 154: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.06 meV / A
2024-12-08 18:22:37.119 INFO: Epoch 155: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.06 meV / A
2024-12-08 18:25:47.864 INFO: Epoch 156: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.06 meV / A
2024-12-08 18:28:58.394 INFO: Epoch 157: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.06 meV / A
2024-12-08 18:32:08.840 INFO: Epoch 158: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.06 meV / A
2024-12-08 18:35:19.225 INFO: Epoch 159: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.06 meV / A
2024-12-08 18:38:29.485 INFO: Epoch 160: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.06 meV / A
2024-12-08 18:41:40.370 INFO: Epoch 161: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.06 meV / A
2024-12-08 18:44:50.677 INFO: Epoch 162: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.05 meV / A
2024-12-08 18:48:01.084 INFO: Epoch 163: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.05 meV / A
2024-12-08 18:51:11.280 INFO: Epoch 164: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.05 meV / A
2024-12-08 18:54:21.443 INFO: Epoch 165: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.05 meV / A
2024-12-08 18:57:31.916 INFO: Epoch 166: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.05 meV / A
2024-12-08 19:00:42.311 INFO: Epoch 167: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.05 meV / A
2024-12-08 19:03:52.914 INFO: Epoch 168: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.05 meV / A
2024-12-08 19:07:03.437 INFO: Epoch 169: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.05 meV / A
2024-12-08 19:10:13.921 INFO: Epoch 170: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.05 meV / A
2024-12-08 19:13:24.356 INFO: Epoch 171: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.05 meV / A
2024-12-08 19:16:34.908 INFO: Epoch 172: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.05 meV / A
2024-12-08 19:19:45.440 INFO: Epoch 173: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.05 meV / A
2024-12-08 19:22:55.956 INFO: Epoch 174: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.04 meV / A
2024-12-08 19:26:06.369 INFO: Epoch 175: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.04 meV / A
2024-12-08 19:29:16.894 INFO: Epoch 176: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.04 meV / A
2024-12-08 19:32:27.203 INFO: Epoch 177: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.04 meV / A
2024-12-08 19:35:37.548 INFO: Epoch 178: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.04 meV / A
2024-12-08 19:38:47.935 INFO: Epoch 179: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.04 meV / A
2024-12-08 19:41:58.305 INFO: Epoch 180: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.04 meV / A
2024-12-08 19:45:08.462 INFO: Epoch 181: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.04 meV / A
2024-12-08 19:48:18.990 INFO: Epoch 182: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.04 meV / A
2024-12-08 19:51:29.517 INFO: Epoch 183: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.04 meV / A
2024-12-08 19:54:39.937 INFO: Epoch 184: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.04 meV / A
2024-12-08 19:57:50.384 INFO: Epoch 185: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.04 meV / A
2024-12-08 20:01:00.820 INFO: Epoch 186: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.04 meV / A
2024-12-08 20:04:11.384 INFO: Epoch 187: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.04 meV / A
2024-12-08 20:07:21.841 INFO: Epoch 188: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.04 meV / A
2024-12-08 20:10:32.410 INFO: Epoch 189: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.04 meV / A
2024-12-08 20:13:42.877 INFO: Epoch 190: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.04 meV / A
2024-12-08 20:16:53.237 INFO: Epoch 191: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 20:20:03.674 INFO: Epoch 192: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 20:23:13.826 INFO: Epoch 193: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 20:26:24.311 INFO: Epoch 194: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 20:29:34.889 INFO: Epoch 195: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 20:32:45.377 INFO: Epoch 196: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 20:35:56.143 INFO: Epoch 197: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 20:39:06.685 INFO: Epoch 198: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 20:42:17.240 INFO: Epoch 199: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 20:45:27.674 INFO: Epoch 200: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 20:48:38.249 INFO: Epoch 201: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 20:51:48.753 INFO: Epoch 202: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 20:54:59.306 INFO: Epoch 203: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 20:58:09.808 INFO: Epoch 204: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 21:01:20.295 INFO: Epoch 205: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 21:04:30.867 INFO: Epoch 206: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 21:07:41.421 INFO: Epoch 207: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 21:10:51.938 INFO: Epoch 208: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 21:14:02.182 INFO: Epoch 209: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 21:17:13.112 INFO: Epoch 210: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 21:20:23.843 INFO: Epoch 211: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 21:23:34.464 INFO: Epoch 212: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 21:26:45.078 INFO: Epoch 213: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 21:29:55.379 INFO: Epoch 214: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 21:33:05.924 INFO: Epoch 215: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 21:36:16.193 INFO: Epoch 216: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 21:39:26.679 INFO: Epoch 217: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 21:42:37.194 INFO: Epoch 218: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.03 meV / A
2024-12-08 21:45:47.606 INFO: Epoch 219: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:48:57.906 INFO: Epoch 220: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:52:08.302 INFO: Epoch 221: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:55:18.514 INFO: Epoch 222: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:58:28.942 INFO: Epoch 223: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:01:39.827 INFO: Epoch 224: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:04:50.115 INFO: Epoch 225: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:08:00.313 INFO: Epoch 226: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:11:10.917 INFO: Epoch 227: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:14:21.428 INFO: Epoch 228: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:17:31.924 INFO: Epoch 229: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:20:42.407 INFO: Epoch 230: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:23:52.662 INFO: Epoch 231: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:27:03.009 INFO: Epoch 232: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:30:13.601 INFO: Epoch 233: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:33:24.290 INFO: Epoch 234: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:36:34.761 INFO: Epoch 235: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:39:45.326 INFO: Epoch 236: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:42:55.926 INFO: Epoch 237: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:46:06.297 INFO: Epoch 238: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:49:16.537 INFO: Epoch 239: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:52:26.967 INFO: Epoch 240: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:55:37.482 INFO: Epoch 241: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:58:47.780 INFO: Epoch 242: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:01:58.436 INFO: Epoch 243: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:05:08.981 INFO: Epoch 244: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:08:19.509 INFO: Epoch 245: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:11:30.067 INFO: Epoch 246: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:14:40.446 INFO: Epoch 247: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:17:50.863 INFO: Epoch 248: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:21:01.528 INFO: Epoch 249: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:24:11.845 INFO: Epoch 250: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:27:22.444 INFO: Epoch 251: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:30:32.986 INFO: Epoch 252: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:33:43.361 INFO: Epoch 253: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:36:53.940 INFO: Epoch 254: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:40:04.040 INFO: Epoch 255: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:43:14.604 INFO: Epoch 256: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:46:25.003 INFO: Epoch 257: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:49:35.372 INFO: Epoch 258: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:52:45.871 INFO: Epoch 259: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:55:56.439 INFO: Epoch 260: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:59:06.963 INFO: Epoch 261: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-09 00:02:17.500 INFO: Epoch 262: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-09 00:05:27.847 INFO: Epoch 263: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-09 00:08:38.493 INFO: Epoch 264: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-09 00:11:48.776 INFO: Epoch 265: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-09 00:14:59.315 INFO: Epoch 266: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-09 00:18:09.763 INFO: Epoch 267: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-09 00:21:19.985 INFO: Epoch 268: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-09 00:24:30.324 INFO: Epoch 269: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-09 00:27:40.815 INFO: Epoch 270: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-09 00:30:51.197 INFO: Epoch 271: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-09 00:34:01.334 INFO: Epoch 272: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-09 00:37:11.503 INFO: Epoch 273: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-09 00:40:22.086 INFO: Epoch 274: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-09 00:43:32.261 INFO: Epoch 275: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-09 00:46:42.826 INFO: Epoch 276: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-09 00:49:53.217 INFO: Epoch 277: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-09 00:53:03.851 INFO: Epoch 278: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-09 00:56:14.340 INFO: Epoch 279: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-09 00:59:24.892 INFO: Epoch 280: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-09 01:02:35.307 INFO: Epoch 281: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-09 01:05:45.859 INFO: Epoch 282: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-09 01:08:56.531 INFO: Epoch 283: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.02 meV / A
2024-12-09 01:12:07.142 INFO: Epoch 284: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:15:17.838 INFO: Epoch 285: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:18:28.100 INFO: Epoch 286: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:21:38.513 INFO: Epoch 287: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:24:49.079 INFO: Epoch 288: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:27:59.569 INFO: Epoch 289: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:31:09.986 INFO: Epoch 290: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:34:20.234 INFO: Epoch 291: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:37:30.866 INFO: Epoch 292: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:40:41.194 INFO: Epoch 293: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:43:51.452 INFO: Epoch 294: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:47:01.893 INFO: Epoch 295: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:50:12.300 INFO: Epoch 296: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:53:22.762 INFO: Epoch 297: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:56:33.279 INFO: Epoch 298: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:59:43.691 INFO: Epoch 299: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:02:54.000 INFO: Epoch 300: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:06:04.228 INFO: Epoch 301: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:09:14.896 INFO: Epoch 302: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:12:25.403 INFO: Epoch 303: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:15:35.948 INFO: Epoch 304: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:18:46.436 INFO: Epoch 305: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:21:57.170 INFO: Epoch 306: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:25:07.648 INFO: Epoch 307: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:28:18.083 INFO: Epoch 308: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:31:28.651 INFO: Epoch 309: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:34:39.125 INFO: Epoch 310: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:37:49.742 INFO: Epoch 311: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:41:00.173 INFO: Epoch 312: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:44:10.605 INFO: Epoch 313: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:47:21.122 INFO: Epoch 314: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:50:31.734 INFO: Epoch 315: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:53:42.266 INFO: Epoch 316: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:56:52.652 INFO: Epoch 317: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 03:00:02.958 INFO: Epoch 318: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 03:03:13.234 INFO: Epoch 319: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 03:06:23.751 INFO: Epoch 320: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 03:09:34.336 INFO: Epoch 321: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 03:12:44.751 INFO: Epoch 322: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 03:15:55.260 INFO: Epoch 323: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 03:19:05.608 INFO: Epoch 324: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 03:22:15.954 INFO: Epoch 325: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 03:25:26.106 INFO: Epoch 326: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 03:28:36.578 INFO: Epoch 327: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 03:31:46.834 INFO: Epoch 328: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 03:34:57.401 INFO: Epoch 329: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 03:38:07.936 INFO: Epoch 330: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 03:41:18.529 INFO: Epoch 331: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 03:44:29.064 INFO: Epoch 332: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 03:47:39.537 INFO: Epoch 333: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 03:50:49.778 INFO: Epoch 334: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 03:54:00.058 INFO: Epoch 335: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 03:57:10.330 INFO: Epoch 336: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 04:00:20.827 INFO: Epoch 337: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 04:03:31.511 INFO: Epoch 338: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 04:06:41.961 INFO: Epoch 339: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 04:09:52.246 INFO: Epoch 340: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 04:13:02.493 INFO: Epoch 341: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 04:16:13.109 INFO: Epoch 342: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 04:19:23.695 INFO: Epoch 343: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 04:22:33.803 INFO: Epoch 344: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 04:25:44.230 INFO: Epoch 345: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 04:28:54.604 INFO: Epoch 346: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 04:32:05.145 INFO: Epoch 347: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 04:35:15.552 INFO: Epoch 348: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 04:38:25.729 INFO: Epoch 349: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 04:41:36.277 INFO: Epoch 350: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 04:44:46.755 INFO: Epoch 351: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 04:47:57.256 INFO: Epoch 352: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 04:51:07.396 INFO: Epoch 353: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 04:54:18.121 INFO: Epoch 354: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 04:57:28.760 INFO: Epoch 355: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 05:00:39.338 INFO: Epoch 356: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 05:03:49.587 INFO: Epoch 357: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 05:06:59.982 INFO: Epoch 358: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 05:10:10.149 INFO: Epoch 359: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 05:13:20.728 INFO: Epoch 360: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 05:16:30.883 INFO: Epoch 361: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 05:19:40.932 INFO: Epoch 362: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 05:22:51.415 INFO: Epoch 363: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 05:26:01.822 INFO: Epoch 364: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 05:29:12.457 INFO: Epoch 365: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 05:32:23.025 INFO: Epoch 366: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 05:35:33.426 INFO: Epoch 367: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 05:38:43.957 INFO: Epoch 368: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 05:41:54.324 INFO: Epoch 369: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 05:45:04.821 INFO: Epoch 370: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 05:48:15.330 INFO: Epoch 371: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 05:51:25.560 INFO: Epoch 372: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 05:54:35.626 INFO: Epoch 373: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 05:57:45.821 INFO: Epoch 374: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 05:57:45.822 INFO: Changing loss based on Stage Two Weights
2024-12-09 06:00:55.971 INFO: Epoch 375: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 06:04:06.524 INFO: Epoch 376: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 06:07:16.952 INFO: Epoch 377: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 06:10:27.428 INFO: Epoch 378: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 06:13:37.643 INFO: Epoch 379: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.01 meV / A
2024-12-09 06:16:47.876 INFO: Epoch 380: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:19:58.122 INFO: Epoch 381: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:23:08.641 INFO: Epoch 382: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:26:19.137 INFO: Epoch 383: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:29:29.339 INFO: Epoch 384: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:32:39.887 INFO: Epoch 385: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:35:50.078 INFO: Epoch 386: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:39:00.262 INFO: Epoch 387: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:42:10.786 INFO: Epoch 388: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:45:21.159 INFO: Epoch 389: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:48:31.387 INFO: Epoch 390: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:51:41.824 INFO: Epoch 391: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:54:52.364 INFO: Epoch 392: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:58:02.922 INFO: Epoch 393: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:01:13.181 INFO: Epoch 394: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:04:23.825 INFO: Epoch 395: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:07:34.295 INFO: Epoch 396: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:10:44.581 INFO: Epoch 397: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:13:54.687 INFO: Epoch 398: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:17:05.093 INFO: Epoch 399: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:20:15.711 INFO: Epoch 400: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:23:25.997 INFO: Epoch 401: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:26:36.510 INFO: Epoch 402: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:29:47.086 INFO: Epoch 403: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:32:57.433 INFO: Epoch 404: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:36:08.358 INFO: Epoch 405: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:39:18.953 INFO: Epoch 406: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:42:29.312 INFO: Epoch 407: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:45:39.828 INFO: Epoch 408: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:48:50.302 INFO: Epoch 409: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:52:01.077 INFO: Epoch 410: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:55:11.568 INFO: Epoch 411: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:58:22.195 INFO: Epoch 412: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:01:32.713 INFO: Epoch 413: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:04:43.329 INFO: Epoch 414: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:07:53.866 INFO: Epoch 415: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:11:04.366 INFO: Epoch 416: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:14:14.797 INFO: Epoch 417: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:17:25.173 INFO: Epoch 418: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:20:35.644 INFO: Epoch 419: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:23:46.227 INFO: Epoch 420: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:26:56.876 INFO: Epoch 421: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:30:07.431 INFO: Epoch 422: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:33:17.943 INFO: Epoch 423: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:36:28.379 INFO: Epoch 424: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:39:38.895 INFO: Epoch 425: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:42:49.274 INFO: Epoch 426: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:45:59.753 INFO: Epoch 427: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:49:10.102 INFO: Epoch 428: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:52:20.427 INFO: Epoch 429: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:55:30.871 INFO: Epoch 430: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:58:41.376 INFO: Epoch 431: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:01:51.822 INFO: Epoch 432: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:05:02.433 INFO: Epoch 433: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:08:12.982 INFO: Epoch 434: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:11:23.526 INFO: Epoch 435: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:14:33.927 INFO: Epoch 436: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:17:44.427 INFO: Epoch 437: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:20:54.869 INFO: Epoch 438: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:24:05.512 INFO: Epoch 439: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:27:16.045 INFO: Epoch 440: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:30:26.659 INFO: Epoch 441: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:33:37.127 INFO: Epoch 442: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:36:47.598 INFO: Epoch 443: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:39:58.106 INFO: Epoch 444: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:43:08.278 INFO: Epoch 445: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:46:18.579 INFO: Epoch 446: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:49:29.014 INFO: Epoch 447: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:52:39.562 INFO: Epoch 448: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:55:50.260 INFO: Epoch 449: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:59:00.496 INFO: Epoch 450: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:02:10.943 INFO: Epoch 451: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:05:21.499 INFO: Epoch 452: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:08:32.073 INFO: Epoch 453: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:11:42.521 INFO: Epoch 454: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:14:52.806 INFO: Epoch 455: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:18:03.462 INFO: Epoch 456: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:21:13.966 INFO: Epoch 457: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:24:24.422 INFO: Epoch 458: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:27:34.902 INFO: Epoch 459: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:30:45.417 INFO: Epoch 460: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:33:55.783 INFO: Epoch 461: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:37:06.181 INFO: Epoch 462: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:40:16.448 INFO: Epoch 463: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:43:26.750 INFO: Epoch 464: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:46:37.225 INFO: Epoch 465: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:49:47.811 INFO: Epoch 466: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:52:58.184 INFO: Epoch 467: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:56:08.464 INFO: Epoch 468: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:59:18.635 INFO: Epoch 469: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:02:29.100 INFO: Epoch 470: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:05:39.574 INFO: Epoch 471: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:08:50.187 INFO: Epoch 472: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:12:00.679 INFO: Epoch 473: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:15:11.026 INFO: Epoch 474: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:18:21.271 INFO: Epoch 475: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:21:31.851 INFO: Epoch 476: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:24:42.342 INFO: Epoch 477: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:27:52.856 INFO: Epoch 478: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:31:03.409 INFO: Epoch 479: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:34:14.035 INFO: Epoch 480: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:37:24.323 INFO: Epoch 481: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:40:34.775 INFO: Epoch 482: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:43:45.274 INFO: Epoch 483: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:46:55.712 INFO: Epoch 484: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:50:05.972 INFO: Epoch 485: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:53:16.368 INFO: Epoch 486: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:56:26.805 INFO: Epoch 487: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:59:37.032 INFO: Epoch 488: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:02:47.463 INFO: Epoch 489: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:05:57.771 INFO: Epoch 490: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:09:08.403 INFO: Epoch 491: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:12:18.940 INFO: Epoch 492: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:15:29.661 INFO: Epoch 493: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:18:40.057 INFO: Epoch 494: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:21:50.553 INFO: Epoch 495: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:25:00.938 INFO: Epoch 496: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:28:11.416 INFO: Epoch 497: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:31:21.937 INFO: Epoch 498: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:34:32.366 INFO: Epoch 499: head: default, loss=0.00000000, RMSE_E_per_atom=1233218.72 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:34:32.367 INFO: Training complete
2024-12-09 12:34:32.367 INFO: 
2024-12-09 12:34:32.367 INFO: ===========RESULTS===========
2024-12-09 12:34:32.367 INFO: Computing metrics for training, validation, and test sets
2024-12-09 12:34:48.140 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),
2024-12-09 12:34:48.228 INFO: Loaded Stage one model from epoch 0 for evaluation
2024-12-09 12:34:48.228 INFO: Evaluating train_default ...
2024-12-09 12:35:43.249 INFO: Evaluating valid_default ...
2024-12-09 12:36:02.441 INFO: Error-table on TRAIN and VALID:
+---------------+---------------------+------------------+-------------------+
|  config_type  | RMSE E / meV / atom | RMSE F / meV / A | relative F RMSE % |
+---------------+---------------------+------------------+-------------------+
| train_default |      1233217.6      |          6.7     |    673836071.85   |
| valid_default |      1233217.6      |          6.7     |    672509252.77   |
+---------------+---------------------+------------------+-------------------+
2024-12-09 12:36:02.441 INFO: Evaluating Default_Default ...
2024-12-09 12:36:21.360 INFO: Error-table on TEST:
+-----------------+---------------------+------------------+-------------------+
|   config_type   | RMSE E / meV / atom | RMSE F / meV / A | relative F RMSE % |
+-----------------+---------------------+------------------+-------------------+
| Default_Default |      1233217.6      |          6.7     |    669646045.36   |
+-----------------+---------------------+------------------+-------------------+
2024-12-09 12:36:21.360 INFO: Saving model to checkpoints/MACE_model_run-123.model
2024-12-09 12:36:21.545 INFO: Compiling model, saving metadata to MACE_model_compiled.model
2024-12-09 12:36:22.202 INFO: Loading checkpoint: ./checkpoints/MACE_model_run-123_epoch-375_swa.pt
2024-12-09 12:36:22.294 INFO: Loaded Stage two model from epoch 375 for evaluation
2024-12-09 12:36:22.294 INFO: Evaluating train_default ...
2024-12-09 12:37:17.363 INFO: Evaluating valid_default ...
2024-12-09 12:37:36.389 INFO: Error-table on TRAIN and VALID:
+---------------+---------------------+------------------+-------------------+
|  config_type  | RMSE E / meV / atom | RMSE F / meV / A | relative F RMSE % |
+---------------+---------------------+------------------+-------------------+
| train_default |      1233218.7      |          0.0     |     928540.34     |
| valid_default |      1233218.7      |          0.0     |     929237.61     |
+---------------+---------------------+------------------+-------------------+
2024-12-09 12:37:36.389 INFO: Evaluating Default_Default ...
2024-12-09 12:37:55.298 INFO: Error-table on TEST:
+-----------------+---------------------+------------------+-------------------+
|   config_type   | RMSE E / meV / atom | RMSE F / meV / A | relative F RMSE % |
+-----------------+---------------------+------------------+-------------------+
| Default_Default |      1233218.7      |          0.0     |     930924.07     |
+-----------------+---------------------+------------------+-------------------+
2024-12-09 12:37:55.298 INFO: Saving model to checkpoints/MACE_model_run-123_stagetwo.model
2024-12-09 12:37:55.483 INFO: Compiling model, saving metadata MACE_model_stagetwo_compiled.model
2024-12-09 12:37:56.116 INFO: Done
Train end time: 2024-12-09_12:37:57
Training duration: 95550 seconds
Training duration: 26h 32m 30s