ads_16_length_6000/MACE/slurm-257541.out

Train start time: 2024-12-08_10:57:19
/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 10:57:26.819 INFO: ===========VERIFYING SETTINGS===========
2024-12-08 10:57:26.819 INFO: MACE version: 0.3.9
2024-12-08 10:57:27.084 INFO: CUDA version: 12.4, CUDA device: 0
2024-12-08 10:57:27.188 INFO: ===========LOADING INPUT DATA===========
2024-12-08 10:57:27.188 INFO: Using heads: ['default']
2024-12-08 10:57:27.188 INFO: =============    Processing head default     ===========
2024-12-08 10:57:35.377 INFO: Training set [6000 configs, 0 energy, 7200000 forces] loaded from '../trainset.xyz'
2024-12-08 10:57:35.379 INFO: Using random 8% of training set for validation with indices saved in: ./valid_indices_123.txt
2024-12-08 10:57:35.380 INFO: Validaton set contains 499 configurations [0 energy, 598800 forces]
2024-12-08 10:57:36.004 INFO: Test set (500 configs) loaded from '../testset.xyz':
2024-12-08 10:57:36.004 INFO: Default_Default: 500 configs, 0 energy, 600000 forces
2024-12-08 10:57:36.006 INFO: Total number of configurations: train=5501, valid=499, tests=[Default_Default: 500],
2024-12-08 10:57:36.240 INFO: Atomic Numbers used: [1, 6, 7, 8, 30]
2024-12-08 10:57:36.241 INFO: Isolated Atomic Energies (E0s) not in training file, using command line argument
2024-12-08 10:57:36.241 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 11:00:04.155 INFO: Computing average number of neighbors
2024-12-08 11:01:06.711 INFO: Average number of neighbors: 34.40564454545454
2024-12-08 11:01:06.712 INFO: During training the following quantities will be reported: energy, forces
2024-12-08 11:01:06.712 INFO: ===========MODEL DETAILS===========
2024-12-08 11:01:15.143 WARNING: Standard deviation of the scaling is zero, Changing to no scaling
2024-12-08 11:01:15.144 INFO: Building model
2024-12-08 11:01:15.145 INFO: Message passing with 128 channels and max_L=1 (128x0e + 128x1o)
2024-12-08 11:01:15.145 INFO: 2 layers, each with correlation order: 3 (body order: 4) and spherical harmonics up to: l=3
2024-12-08 11:01:15.145 INFO: 8 radial and 5 basis functions
2024-12-08 11:01:15.145 INFO: Radial cutoff: 5.0 A (total receptive field for each atom: 10.0 A)
2024-12-08 11:01:15.145 INFO: Distance transform for radial basis functions: None
2024-12-08 11:01:15.145 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 11:01:16.708 INFO: Total number of parameters: 945168
2024-12-08 11:01:16.708 INFO: 
2024-12-08 11:01:16.708 INFO: ===========OPTIMIZER INFORMATION===========
2024-12-08 11:01:16.708 INFO: Using ADAM as parameter optimizer
2024-12-08 11:01:16.708 INFO: Batch size: 10
2024-12-08 11:01:16.708 INFO: Using Exponential Moving Average with decay: 0.99
2024-12-08 11:01:16.708 INFO: Number of gradient updates: 275050
2024-12-08 11:01:16.708 INFO: Learning rate: 0.0001, weight decay: 5e-07
2024-12-08 11:01:16.708 INFO: WeightedEnergyForcesLoss(energy_weight=1.000, forces_weight=100.000)
2024-12-08 11:01:16.709 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 11:01:16.796 WARNING: Cannot find checkpoint with tag 'MACE_model_run-123' in './checkpoints'
2024-12-08 11:01:16.797 INFO: Using gradient clipping with tolerance=10.000
2024-12-08 11:01:16.797 INFO: 
2024-12-08 11:01:16.797 INFO: ===========TRAINING===========
2024-12-08 11:01:16.797 INFO: Started training, reporting errors on validation set
2024-12-08 11:01:16.797 INFO: Loss metrics on validation set
2024-12-08 11:01:35.327 INFO: Initial: head: default, loss=0.00000000, RMSE_E_per_atom=1176669.59 meV, RMSE_F=    7.99 meV / A
2024-12-08 11:10:27.873 INFO: Epoch 0: head: default, loss=0.00000000, RMSE_E_per_atom=1176669.75 meV, RMSE_F=    7.21 meV / A
2024-12-08 11:19:16.796 INFO: Epoch 1: head: default, loss=0.00000000, RMSE_E_per_atom=1176669.92 meV, RMSE_F=    6.44 meV / A
2024-12-08 11:28:05.661 INFO: Epoch 2: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.08 meV, RMSE_F=    5.65 meV / A
2024-12-08 11:36:53.408 INFO: Epoch 3: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.24 meV, RMSE_F=    4.92 meV / A
2024-12-08 11:45:42.232 INFO: Epoch 4: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.37 meV, RMSE_F=    4.26 meV / A
2024-12-08 11:54:30.754 INFO: Epoch 5: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.50 meV, RMSE_F=    3.67 meV / A
2024-12-08 12:03:19.518 INFO: Epoch 6: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.60 meV, RMSE_F=    3.16 meV / A
2024-12-08 12:12:08.473 INFO: Epoch 7: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.69 meV, RMSE_F=    2.72 meV / A
2024-12-08 12:20:57.212 INFO: Epoch 8: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.76 meV, RMSE_F=    2.34 meV / A
2024-12-08 12:29:44.828 INFO: Epoch 9: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.82 meV, RMSE_F=    2.02 meV / A
2024-12-08 12:38:33.464 INFO: Epoch 10: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.87 meV, RMSE_F=    1.74 meV / A
2024-12-08 12:47:22.363 INFO: Epoch 11: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.92 meV, RMSE_F=    1.50 meV / A
2024-12-08 12:56:10.506 INFO: Epoch 12: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.95 meV, RMSE_F=    1.29 meV / A
2024-12-08 13:04:59.335 INFO: Epoch 13: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.98 meV, RMSE_F=    1.12 meV / A
2024-12-08 13:13:48.395 INFO: Epoch 14: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.00 meV, RMSE_F=    0.97 meV / A
2024-12-08 13:22:37.315 INFO: Epoch 15: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.02 meV, RMSE_F=    0.83 meV / A
2024-12-08 13:31:26.240 INFO: Epoch 16: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.04 meV, RMSE_F=    0.72 meV / A
2024-12-08 13:40:14.972 INFO: Epoch 17: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.05 meV, RMSE_F=    0.63 meV / A
2024-12-08 13:49:04.128 INFO: Epoch 18: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.06 meV, RMSE_F=    0.54 meV / A
2024-12-08 13:57:52.946 INFO: Epoch 19: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.07 meV, RMSE_F=    0.47 meV / A
2024-12-08 14:06:40.649 INFO: Epoch 20: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.07 meV, RMSE_F=    0.41 meV / A
2024-12-08 14:15:30.940 INFO: Epoch 21: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.35 meV / A
2024-12-08 14:24:19.589 INFO: Epoch 22: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.31 meV / A
2024-12-08 14:33:08.318 INFO: Epoch 23: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.27 meV / A
2024-12-08 14:41:56.333 INFO: Epoch 24: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.23 meV / A
2024-12-08 14:50:43.983 INFO: Epoch 25: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.20 meV / A
2024-12-08 14:59:33.032 INFO: Epoch 26: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.18 meV / A
2024-12-08 15:08:21.720 INFO: Epoch 27: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.15 meV / A
2024-12-08 15:17:10.728 INFO: Epoch 28: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.14 meV / A
2024-12-08 15:25:59.676 INFO: Epoch 29: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.12 meV / A
2024-12-08 15:34:48.483 INFO: Epoch 30: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.10 meV / A
2024-12-08 15:43:37.140 INFO: Epoch 31: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.09 meV / A
2024-12-08 15:52:26.102 INFO: Epoch 32: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.08 meV / A
2024-12-08 16:01:14.975 INFO: Epoch 33: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.07 meV / A
2024-12-08 16:10:03.948 INFO: Epoch 34: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.06 meV / A
2024-12-08 16:18:52.720 INFO: Epoch 35: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.06 meV / A
2024-12-08 16:27:41.702 INFO: Epoch 36: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.05 meV / A
2024-12-08 16:36:29.591 INFO: Epoch 37: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.04 meV / A
2024-12-08 16:45:18.311 INFO: Epoch 38: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.04 meV / A
2024-12-08 16:54:07.204 INFO: Epoch 39: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.04 meV / A
2024-12-08 17:02:56.087 INFO: Epoch 40: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 17:11:44.887 INFO: Epoch 41: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 17:20:33.809 INFO: Epoch 42: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 17:29:22.564 INFO: Epoch 43: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 17:38:10.442 INFO: Epoch 44: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 17:46:59.034 INFO: Epoch 45: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 17:55:48.132 INFO: Epoch 46: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 18:04:37.078 INFO: Epoch 47: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 18:13:25.975 INFO: Epoch 48: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 18:22:14.714 INFO: Epoch 49: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 18:31:03.933 INFO: Epoch 50: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 18:39:51.897 INFO: Epoch 51: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-08 18:48:40.820 INFO: Epoch 52: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-08 18:57:29.527 INFO: Epoch 53: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-08 19:06:18.431 INFO: Epoch 54: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 19:15:07.327 INFO: Epoch 55: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 19:23:56.107 INFO: Epoch 56: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 19:32:44.873 INFO: Epoch 57: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 19:41:33.690 INFO: Epoch 58: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 19:50:21.668 INFO: Epoch 59: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 19:59:10.395 INFO: Epoch 60: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 20:07:58.295 INFO: Epoch 61: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 20:16:46.437 INFO: Epoch 62: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 20:25:35.271 INFO: Epoch 63: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 20:34:23.285 INFO: Epoch 64: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 20:43:11.065 INFO: Epoch 65: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 20:52:00.200 INFO: Epoch 66: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 21:00:49.273 INFO: Epoch 67: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 21:09:38.292 INFO: Epoch 68: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 21:18:26.936 INFO: Epoch 69: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 21:27:15.991 INFO: Epoch 70: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 21:36:04.763 INFO: Epoch 71: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 21:44:53.040 INFO: Epoch 72: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 21:53:41.918 INFO: Epoch 73: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 22:02:29.710 INFO: Epoch 74: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 22:11:18.485 INFO: Epoch 75: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 22:20:07.337 INFO: Epoch 76: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 22:28:56.266 INFO: Epoch 77: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-08 22:37:44.946 INFO: Epoch 78: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 22:46:33.846 INFO: Epoch 79: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 22:55:22.432 INFO: Epoch 80: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 23:04:11.283 INFO: Epoch 81: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 23:13:00.224 INFO: Epoch 82: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 23:21:48.566 INFO: Epoch 83: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 23:30:36.390 INFO: Epoch 84: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 23:39:25.232 INFO: Epoch 85: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 23:48:13.029 INFO: Epoch 86: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-08 23:57:02.134 INFO: Epoch 87: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 00:05:50.828 INFO: Epoch 88: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 00:14:39.596 INFO: Epoch 89: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 00:23:28.531 INFO: Epoch 90: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 00:32:17.430 INFO: Epoch 91: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 00:41:06.160 INFO: Epoch 92: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 00:49:55.132 INFO: Epoch 93: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 00:58:44.037 INFO: Epoch 94: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 01:07:32.957 INFO: Epoch 95: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 01:16:21.522 INFO: Epoch 96: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 01:25:09.777 INFO: Epoch 97: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 01:33:58.737 INFO: Epoch 98: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 01:42:47.340 INFO: Epoch 99: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 01:51:36.290 INFO: Epoch 100: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 02:00:24.760 INFO: Epoch 101: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 02:09:12.271 INFO: Epoch 102: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 02:18:01.067 INFO: Epoch 103: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 02:26:49.805 INFO: Epoch 104: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 02:35:38.557 INFO: Epoch 105: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 02:44:27.446 INFO: Epoch 106: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 02:53:16.307 INFO: Epoch 107: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:02:05.693 INFO: Epoch 108: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:10:53.640 INFO: Epoch 109: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:19:42.215 INFO: Epoch 110: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:28:31.021 INFO: Epoch 111: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:37:19.847 INFO: Epoch 112: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:46:08.040 INFO: Epoch 113: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:54:56.060 INFO: Epoch 114: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:03:44.961 INFO: Epoch 115: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:12:33.707 INFO: Epoch 116: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:21:22.592 INFO: Epoch 117: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:30:11.353 INFO: Epoch 118: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:39:00.217 INFO: Epoch 119: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:47:49.123 INFO: Epoch 120: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:56:37.889 INFO: Epoch 121: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:05:26.857 INFO: Epoch 122: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:14:15.764 INFO: Epoch 123: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:23:04.752 INFO: Epoch 124: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:31:52.623 INFO: Epoch 125: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:40:41.297 INFO: Epoch 126: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:49:29.806 INFO: Epoch 127: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:58:18.646 INFO: Epoch 128: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:07:06.315 INFO: Epoch 129: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:15:55.289 INFO: Epoch 130: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:24:44.123 INFO: Epoch 131: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:33:32.891 INFO: Epoch 132: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:42:21.822 INFO: Epoch 133: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:51:10.783 INFO: Epoch 134: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:59:58.601 INFO: Epoch 135: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:08:47.767 INFO: Epoch 136: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:17:36.468 INFO: Epoch 137: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:26:25.398 INFO: Epoch 138: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:35:13.386 INFO: Epoch 139: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:44:02.238 INFO: Epoch 140: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:52:51.465 INFO: Epoch 141: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:01:39.316 INFO: Epoch 142: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:10:28.362 INFO: Epoch 143: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:19:17.264 INFO: Epoch 144: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:28:05.163 INFO: Epoch 145: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:36:54.153 INFO: Epoch 146: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:45:43.104 INFO: Epoch 147: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 08:54:30.910 INFO: Epoch 148: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:03:19.866 INFO: Epoch 149: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:12:07.736 INFO: Epoch 150: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:20:56.704 INFO: Epoch 151: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:29:45.658 INFO: Epoch 152: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:38:34.559 INFO: Epoch 153: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:47:23.484 INFO: Epoch 154: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 09:56:12.191 INFO: Epoch 155: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:05:01.178 INFO: Epoch 156: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:13:50.027 INFO: Epoch 157: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:22:37.909 INFO: Epoch 158: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:31:26.736 INFO: Epoch 159: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:40:15.572 INFO: Epoch 160: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:49:03.419 INFO: Epoch 161: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 10:57:52.244 INFO: Epoch 162: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:06:41.111 INFO: Epoch 163: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:15:28.951 INFO: Epoch 164: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:24:18.012 INFO: Epoch 165: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:33:07.091 INFO: Epoch 166: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:41:55.705 INFO: Epoch 167: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:50:44.429 INFO: Epoch 168: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 11:59:32.475 INFO: Epoch 169: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:08:20.458 INFO: Epoch 170: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:17:09.525 INFO: Epoch 171: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:25:58.396 INFO: Epoch 172: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:34:46.250 INFO: Epoch 173: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:43:35.032 INFO: Epoch 174: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 12:52:23.810 INFO: Epoch 175: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 13:01:11.765 INFO: Epoch 176: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 13:10:00.624 INFO: Epoch 177: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 13:18:49.413 INFO: Epoch 178: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 13:27:38.405 INFO: Epoch 179: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 13:36:26.398 INFO: Epoch 180: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 13:45:15.542 INFO: Epoch 181: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 13:54:04.435 INFO: Epoch 182: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 14:02:53.156 INFO: Epoch 183: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 14:11:41.814 INFO: Epoch 184: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 14:20:30.669 INFO: Epoch 185: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 14:29:18.442 INFO: Epoch 186: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 14:38:07.099 INFO: Epoch 187: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 14:46:55.279 INFO: Epoch 188: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 14:55:44.044 INFO: Epoch 189: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 15:04:32.974 INFO: Epoch 190: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 15:13:21.215 INFO: Epoch 191: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 15:22:10.199 INFO: Epoch 192: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 15:30:58.083 INFO: Epoch 193: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 15:39:46.451 INFO: Epoch 194: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 15:48:35.288 INFO: Epoch 195: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 15:57:23.989 INFO: Epoch 196: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 16:06:11.801 INFO: Epoch 197: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 16:15:00.582 INFO: Epoch 198: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 16:23:49.258 INFO: Epoch 199: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 16:32:37.259 INFO: Epoch 200: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 16:41:25.042 INFO: Epoch 201: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 16:50:13.154 INFO: Epoch 202: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 16:59:02.037 INFO: Epoch 203: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 17:07:50.788 INFO: Epoch 204: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 17:16:39.386 INFO: Epoch 205: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 17:25:26.987 INFO: Epoch 206: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 17:34:14.853 INFO: Epoch 207: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 17:43:02.740 INFO: Epoch 208: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 17:51:51.385 INFO: Epoch 209: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 18:00:40.250 INFO: Epoch 210: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 18:09:28.907 INFO: Epoch 211: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 18:18:17.630 INFO: Epoch 212: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 18:27:06.398 INFO: Epoch 213: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 18:35:55.049 INFO: Epoch 214: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 18:44:43.548 INFO: Epoch 215: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 18:53:31.237 INFO: Epoch 216: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 19:02:19.939 INFO: Epoch 217: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 19:11:08.613 INFO: Epoch 218: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 19:19:57.564 INFO: Epoch 219: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 19:28:45.356 INFO: Epoch 220: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 19:37:34.145 INFO: Epoch 221: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 19:46:22.994 INFO: Epoch 222: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 19:55:11.994 INFO: Epoch 223: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 20:03:59.683 INFO: Epoch 224: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 20:12:47.794 INFO: Epoch 225: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 20:21:35.938 INFO: Epoch 226: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 20:30:24.800 INFO: Epoch 227: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 20:39:12.567 INFO: Epoch 228: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 20:48:01.508 INFO: Epoch 229: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 20:56:50.362 INFO: Epoch 230: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 21:05:39.281 INFO: Epoch 231: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 21:14:28.130 INFO: Epoch 232: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 21:23:16.796 INFO: Epoch 233: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 21:32:04.654 INFO: Epoch 234: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 21:40:53.509 INFO: Epoch 235: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 21:49:42.497 INFO: Epoch 236: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 21:58:31.405 INFO: Epoch 237: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 22:07:20.261 INFO: Epoch 238: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 22:16:09.306 INFO: Epoch 239: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 22:24:58.152 INFO: Epoch 240: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 22:33:46.888 INFO: Epoch 241: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 22:42:35.631 INFO: Epoch 242: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 22:51:23.483 INFO: Epoch 243: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 23:00:12.419 INFO: Epoch 244: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 23:09:00.248 INFO: Epoch 245: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 23:17:47.958 INFO: Epoch 246: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 23:26:36.615 INFO: Epoch 247: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 23:35:24.707 INFO: Epoch 248: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 23:44:13.660 INFO: Epoch 249: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 23:53:02.270 INFO: Epoch 250: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 00:01:51.066 INFO: Epoch 251: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 00:10:39.781 INFO: Epoch 252: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 00:19:27.669 INFO: Epoch 253: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 00:28:16.580 INFO: Epoch 254: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 00:37:05.375 INFO: Epoch 255: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 00:45:53.164 INFO: Epoch 256: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 00:54:40.954 INFO: Epoch 257: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 01:03:29.357 INFO: Epoch 258: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 01:12:17.162 INFO: Epoch 259: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 01:21:05.920 INFO: Epoch 260: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 01:29:54.875 INFO: Epoch 261: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 01:38:43.774 INFO: Epoch 262: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 01:47:32.420 INFO: Epoch 263: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 01:56:20.690 INFO: Epoch 264: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 02:05:09.441 INFO: Epoch 265: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 02:13:58.172 INFO: Epoch 266: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 02:22:47.224 INFO: Epoch 267: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 02:31:36.045 INFO: Epoch 268: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 02:40:24.846 INFO: Epoch 269: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 02:49:13.024 INFO: Epoch 270: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 02:58:02.007 INFO: Epoch 271: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 03:06:49.760 INFO: Epoch 272: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 03:15:38.681 INFO: Epoch 273: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 03:24:27.561 INFO: Epoch 274: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 03:33:16.534 INFO: Epoch 275: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 03:42:05.122 INFO: Epoch 276: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 03:50:53.968 INFO: Epoch 277: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 03:59:42.359 INFO: Epoch 278: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 04:08:31.265 INFO: Epoch 279: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 04:17:20.123 INFO: Epoch 280: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 04:26:08.859 INFO: Epoch 281: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 04:34:57.704 INFO: Epoch 282: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 04:43:46.510 INFO: Epoch 283: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 04:52:35.434 INFO: Epoch 284: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 05:01:24.138 INFO: Epoch 285: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 05:10:13.131 INFO: Epoch 286: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 05:19:02.007 INFO: Epoch 287: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 05:27:50.594 INFO: Epoch 288: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 05:36:39.050 INFO: Epoch 289: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 05:45:27.100 INFO: Epoch 290: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 05:54:16.002 INFO: Epoch 291: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 06:03:04.831 INFO: Epoch 292: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 06:11:53.878 INFO: Epoch 293: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 06:20:42.666 INFO: Epoch 294: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 06:29:31.580 INFO: Epoch 295: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 06:38:20.029 INFO: Epoch 296: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 06:47:09.004 INFO: Epoch 297: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 06:55:57.586 INFO: Epoch 298: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 07:04:46.598 INFO: Epoch 299: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 07:13:35.505 INFO: Epoch 300: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 07:22:24.526 INFO: Epoch 301: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 07:31:13.198 INFO: Epoch 302: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 07:40:02.126 INFO: Epoch 303: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 07:48:51.058 INFO: Epoch 304: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 07:57:38.755 INFO: Epoch 305: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 08:06:27.871 INFO: Epoch 306: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 08:15:16.710 INFO: Epoch 307: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 08:24:04.961 INFO: Epoch 308: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 08:32:53.263 INFO: Epoch 309: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 08:41:42.300 INFO: Epoch 310: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 08:50:31.372 INFO: Epoch 311: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 08:59:19.288 INFO: Epoch 312: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 09:08:07.129 INFO: Epoch 313: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 09:16:55.950 INFO: Epoch 314: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 09:25:44.595 INFO: Epoch 315: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 09:34:33.125 INFO: Epoch 316: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 09:43:20.934 INFO: Epoch 317: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 09:52:08.918 INFO: Epoch 318: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 10:00:57.149 INFO: Epoch 319: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 10:09:47.085 INFO: Epoch 320: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 10:18:35.881 INFO: Epoch 321: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 10:27:24.466 INFO: Epoch 322: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 10:36:12.811 INFO: Epoch 323: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 10:45:02.643 INFO: Epoch 324: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 10:53:51.452 INFO: Epoch 325: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 11:02:39.206 INFO: Epoch 326: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 11:11:27.090 INFO: Epoch 327: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 11:20:15.645 INFO: Epoch 328: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 11:29:04.302 INFO: Epoch 329: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 11:37:53.299 INFO: Epoch 330: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 11:46:42.239 INFO: Epoch 331: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 11:55:30.830 INFO: Epoch 332: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 12:04:20.045 INFO: Epoch 333: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 12:13:08.444 INFO: Epoch 334: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 12:21:57.177 INFO: Epoch 335: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 12:30:45.192 INFO: Epoch 336: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 12:39:34.007 INFO: Epoch 337: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 12:48:21.813 INFO: Epoch 338: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 12:57:09.522 INFO: Epoch 339: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 13:05:58.449 INFO: Epoch 340: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 13:14:47.284 INFO: Epoch 341: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 13:23:35.132 INFO: Epoch 342: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 13:32:24.190 INFO: Epoch 343: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 13:41:12.272 INFO: Epoch 344: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 13:50:01.403 INFO: Epoch 345: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 13:58:50.339 INFO: Epoch 346: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 14:07:39.067 INFO: Epoch 347: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 14:16:27.687 INFO: Epoch 348: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 14:25:16.593 INFO: Epoch 349: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 14:34:05.658 INFO: Epoch 350: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 14:42:53.744 INFO: Epoch 351: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 14:51:42.361 INFO: Epoch 352: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 15:00:31.213 INFO: Epoch 353: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 15:09:19.156 INFO: Epoch 354: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 15:18:08.224 INFO: Epoch 355: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 15:26:56.951 INFO: Epoch 356: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 15:35:45.958 INFO: Epoch 357: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 15:44:34.991 INFO: Epoch 358: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 15:53:23.956 INFO: Epoch 359: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 16:02:12.799 INFO: Epoch 360: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 16:11:01.315 INFO: Epoch 361: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 16:19:50.785 INFO: Epoch 362: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 16:28:39.482 INFO: Epoch 363: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 16:37:27.250 INFO: Epoch 364: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 16:46:15.096 INFO: Epoch 365: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 16:55:03.850 INFO: Epoch 366: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 17:03:52.626 INFO: Epoch 367: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 17:12:41.491 INFO: Epoch 368: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 17:21:30.514 INFO: Epoch 369: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 17:30:19.096 INFO: Epoch 370: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 17:39:08.134 INFO: Epoch 371: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 17:47:57.131 INFO: Epoch 372: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 17:56:45.558 INFO: Epoch 373: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 18:05:34.713 INFO: Epoch 374: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 18:05:34.714 INFO: Changing loss based on Stage Two Weights
2024-12-10 18:14:23.591 INFO: Epoch 375: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 18:23:12.323 INFO: Epoch 376: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 18:32:01.442 INFO: Epoch 377: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 18:40:49.699 INFO: Epoch 378: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 18:49:38.514 INFO: Epoch 379: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 18:58:26.836 INFO: Epoch 380: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 19:07:15.109 INFO: Epoch 381: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 19:16:04.060 INFO: Epoch 382: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 19:24:52.861 INFO: Epoch 383: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 19:33:40.888 INFO: Epoch 384: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 19:42:29.749 INFO: Epoch 385: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 19:51:18.631 INFO: Epoch 386: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 20:00:07.633 INFO: Epoch 387: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 20:08:55.595 INFO: Epoch 388: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 20:17:43.833 INFO: Epoch 389: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 20:26:32.732 INFO: Epoch 390: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 20:35:21.596 INFO: Epoch 391: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 20:44:10.347 INFO: Epoch 392: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 20:52:59.176 INFO: Epoch 393: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 21:01:47.676 INFO: Epoch 394: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 21:10:36.628 INFO: Epoch 395: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 21:19:25.590 INFO: Epoch 396: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 21:28:14.420 INFO: Epoch 397: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 21:37:02.456 INFO: Epoch 398: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 21:45:51.283 INFO: Epoch 399: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 21:54:40.019 INFO: Epoch 400: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 22:03:27.863 INFO: Epoch 401: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 22:12:16.788 INFO: Epoch 402: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 22:21:05.709 INFO: Epoch 403: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 22:29:54.676 INFO: Epoch 404: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 22:38:43.571 INFO: Epoch 405: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 22:47:32.641 INFO: Epoch 406: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 22:56:20.498 INFO: Epoch 407: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 23:05:08.321 INFO: Epoch 408: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 23:13:56.702 INFO: Epoch 409: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 23:22:44.552 INFO: Epoch 410: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 23:31:32.479 INFO: Epoch 411: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 23:40:20.444 INFO: Epoch 412: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 23:49:08.653 INFO: Epoch 413: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-10 23:57:56.554 INFO: Epoch 414: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 00:06:45.385 INFO: Epoch 415: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 00:15:33.277 INFO: Epoch 416: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 00:24:22.223 INFO: Epoch 417: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 00:33:09.885 INFO: Epoch 418: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 00:41:58.633 INFO: Epoch 419: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 00:50:47.398 INFO: Epoch 420: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 00:59:35.136 INFO: Epoch 421: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 01:08:23.306 INFO: Epoch 422: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 01:17:12.295 INFO: Epoch 423: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 01:26:01.249 INFO: Epoch 424: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 01:34:49.759 INFO: Epoch 425: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 01:43:37.687 INFO: Epoch 426: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 01:52:26.778 INFO: Epoch 427: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 02:01:14.433 INFO: Epoch 428: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 02:10:03.139 INFO: Epoch 429: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 02:18:52.236 INFO: Epoch 430: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 02:27:40.972 INFO: Epoch 431: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 02:36:29.568 INFO: Epoch 432: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 02:45:18.519 INFO: Epoch 433: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 02:54:07.113 INFO: Epoch 434: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 03:02:55.148 INFO: Epoch 435: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 03:11:43.968 INFO: Epoch 436: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 03:20:32.868 INFO: Epoch 437: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 03:29:20.921 INFO: Epoch 438: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 03:38:09.888 INFO: Epoch 439: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 03:46:58.870 INFO: Epoch 440: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 03:55:47.716 INFO: Epoch 441: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 04:04:36.516 INFO: Epoch 442: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 04:13:25.384 INFO: Epoch 443: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 04:22:13.477 INFO: Epoch 444: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 04:31:02.487 INFO: Epoch 445: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 04:39:50.327 INFO: Epoch 446: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 04:48:39.284 INFO: Epoch 447: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 04:57:27.987 INFO: Epoch 448: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 05:06:15.842 INFO: Epoch 449: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 05:15:04.549 INFO: Epoch 450: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 05:23:52.748 INFO: Epoch 451: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 05:32:41.610 INFO: Epoch 452: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 05:41:30.250 INFO: Epoch 453: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 05:50:19.255 INFO: Epoch 454: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 05:59:07.341 INFO: Epoch 455: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 06:07:55.161 INFO: Epoch 456: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 06:16:44.033 INFO: Epoch 457: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 06:25:32.946 INFO: Epoch 458: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 06:34:21.848 INFO: Epoch 459: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 06:43:10.915 INFO: Epoch 460: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 06:51:58.717 INFO: Epoch 461: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 07:00:47.721 INFO: Epoch 462: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 07:09:36.728 INFO: Epoch 463: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 07:18:25.611 INFO: Epoch 464: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 07:27:14.490 INFO: Epoch 465: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 07:36:02.310 INFO: Epoch 466: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 07:44:50.047 INFO: Epoch 467: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 07:53:38.981 INFO: Epoch 468: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 08:02:27.684 INFO: Epoch 469: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 08:11:16.610 INFO: Epoch 470: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 08:20:04.719 INFO: Epoch 471: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 08:28:53.558 INFO: Epoch 472: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 08:37:42.007 INFO: Epoch 473: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 08:46:31.007 INFO: Epoch 474: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 08:55:19.947 INFO: Epoch 475: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 09:04:08.478 INFO: Epoch 476: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 09:12:57.655 INFO: Epoch 477: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 09:21:45.657 INFO: Epoch 478: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 09:30:34.496 INFO: Epoch 479: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 09:39:22.681 INFO: Epoch 480: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 09:48:10.613 INFO: Epoch 481: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 09:56:58.909 INFO: Epoch 482: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 10:05:47.891 INFO: Epoch 483: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 10:14:36.915 INFO: Epoch 484: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 10:23:25.891 INFO: Epoch 485: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 10:32:14.861 INFO: Epoch 486: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 10:41:03.712 INFO: Epoch 487: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 10:49:52.758 INFO: Epoch 488: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 10:58:41.045 INFO: Epoch 489: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 11:07:29.759 INFO: Epoch 490: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 11:16:18.985 INFO: Epoch 491: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 11:25:07.791 INFO: Epoch 492: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 11:33:55.596 INFO: Epoch 493: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 11:42:43.645 INFO: Epoch 494: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 11:51:32.597 INFO: Epoch 495: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 12:00:21.620 INFO: Epoch 496: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 12:09:09.698 INFO: Epoch 497: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 12:17:58.633 INFO: Epoch 498: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 12:26:46.370 INFO: Epoch 499: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-11 12:26:46.371 INFO: Training complete
2024-12-11 12:26:46.371 INFO: 
2024-12-11 12:26:46.371 INFO: ===========RESULTS===========
2024-12-11 12:26:46.371 INFO: Computing metrics for training, validation, and test sets
2024-12-11 12:26:58.620 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 12:26:58.698 INFO: Loaded Stage one model from epoch 0 for evaluation
2024-12-11 12:26:58.698 INFO: Evaluating train_default ...
2024-12-11 12:29:47.324 INFO: Evaluating valid_default ...
2024-12-11 12:30:03.796 INFO: Error-table on TRAIN and VALID:
+---------------+---------------------+------------------+-------------------+
|  config_type  | RMSE E / meV / atom | RMSE F / meV / A | relative F RMSE % |
+---------------+---------------------+------------------+-------------------+
| train_default |      1176669.8      |          7.2     |    721507002.54   |
| valid_default |      1176669.8      |          7.2     |    720652591.97   |
+---------------+---------------------+------------------+-------------------+
2024-12-11 12:30:03.796 INFO: Evaluating Default_Default ...
2024-12-11 12:30:20.912 INFO: Error-table on TEST:
+-----------------+---------------------+------------------+-------------------+
|   config_type   | RMSE E / meV / atom | RMSE F / meV / A | relative F RMSE % |
+-----------------+---------------------+------------------+-------------------+
| Default_Default |      1176669.8      |          7.2     |    724884653.97   |
+-----------------+---------------------+------------------+-------------------+
2024-12-11 12:30:20.912 INFO: Saving model to checkpoints/MACE_model_run-123.model
2024-12-11 12:30:21.093 INFO: Compiling model, saving metadata to MACE_model_compiled.model
2024-12-11 12:30:21.778 INFO: Loading checkpoint: ./checkpoints/MACE_model_run-123_epoch-375_swa.pt
2024-12-11 12:30:21.902 INFO: Loaded Stage two model from epoch 375 for evaluation
2024-12-11 12:30:21.902 INFO: Evaluating train_default ...
2024-12-11 12:33:10.606 INFO: Evaluating valid_default ...
2024-12-11 12:33:27.028 INFO: Error-table on TRAIN and VALID:
+---------------+---------------------+------------------+-------------------+
|  config_type  | RMSE E / meV / atom | RMSE F / meV / A | relative F RMSE % |
+---------------+---------------------+------------------+-------------------+
| train_default |      1176671.1      |          0.0     |        180.50     |
| valid_default |      1176671.1      |          0.0     |        180.53     |
+---------------+---------------------+------------------+-------------------+
2024-12-11 12:33:27.028 INFO: Evaluating Default_Default ...
2024-12-11 12:33:44.105 INFO: Error-table on TEST:
+-----------------+---------------------+------------------+-------------------+
|   config_type   | RMSE E / meV / atom | RMSE F / meV / A | relative F RMSE % |
+-----------------+---------------------+------------------+-------------------+
| Default_Default |      1176671.1      |          0.0     |        180.46     |
+-----------------+---------------------+------------------+-------------------+
2024-12-11 12:33:44.106 INFO: Saving model to checkpoints/MACE_model_run-123_stagetwo.model
2024-12-11 12:33:44.293 INFO: Compiling model, saving metadata MACE_model_stagetwo_compiled.model
2024-12-11 12:33:44.931 INFO: Done
Train end time: 2024-12-11_12:33:47
Training duration: 264988 seconds
Training duration: 73h 36m 28s