Train start time: 2024-12-08_10:12:06
/var/spool/slurmd/job257510/slurm_script: line 29: m: command not found
/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 10:12:13.339 INFO: ===========VERIFYING SETTINGS===========
2024-12-08 10:12:13.339 INFO: MACE version: 0.3.9
2024-12-08 10:12:13.619 INFO: CUDA version: 12.4, CUDA device: 0
2024-12-08 10:12:13.722 INFO: ===========LOADING INPUT DATA===========
2024-12-08 10:12:13.722 INFO: Using heads: ['default']
2024-12-08 10:12:13.722 INFO: =============    Processing head default     ===========
2024-12-08 10:12:16.210 INFO: Training set [2000 configs, 0 energy, 2400000 forces] loaded from '../trainset.xyz'
2024-12-08 10:12:16.212 INFO: Using random 25% of training set for validation with indices saved in: ./valid_indices_123.txt
2024-12-08 10:12:16.212 INFO: Validaton set contains 500 configurations [0 energy, 600000 forces]
2024-12-08 10:12:16.825 INFO: Test set (500 configs) loaded from '../testset.xyz':
2024-12-08 10:12:16.825 INFO: Default_Default: 500 configs, 0 energy, 600000 forces
2024-12-08 10:12:16.826 INFO: Total number of configurations: train=1500, valid=500, tests=[Default_Default: 500],
2024-12-08 10:12:16.906 INFO: Atomic Numbers used: [1, 6, 7, 8, 30]
2024-12-08 10:12:16.906 INFO: Isolated Atomic Energies (E0s) not in training file, using command line argument
2024-12-08 10:12:16.906 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 10:13:06.036 INFO: Computing average number of neighbors
2024-12-08 10:13:17.977 INFO: Average number of neighbors: 34.25302666666666
2024-12-08 10:13:17.978 INFO: During training the following quantities will be reported: energy, forces
2024-12-08 10:13:17.979 INFO: ===========MODEL DETAILS===========
2024-12-08 10:13:20.683 WARNING: Standard deviation of the scaling is zero, Changing to no scaling
2024-12-08 10:13:20.684 INFO: Building model
2024-12-08 10:13:20.684 INFO: Message passing with 128 channels and max_L=1 (128x0e + 128x1o)
2024-12-08 10:13:20.684 INFO: 2 layers, each with correlation order: 3 (body order: 4) and spherical harmonics up to: l=3
2024-12-08 10:13:20.684 INFO: 8 radial and 5 basis functions
2024-12-08 10:13:20.684 INFO: Radial cutoff: 5.0 A (total receptive field for each atom: 10.0 A)
2024-12-08 10:13:20.684 INFO: Distance transform for radial basis functions: None
2024-12-08 10:13:20.684 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 10:13:21.979 INFO: Total number of parameters: 945168
2024-12-08 10:13:21.979 INFO: 
2024-12-08 10:13:21.979 INFO: ===========OPTIMIZER INFORMATION===========
2024-12-08 10:13:21.980 INFO: Using ADAM as parameter optimizer
2024-12-08 10:13:21.980 INFO: Batch size: 10
2024-12-08 10:13:21.980 INFO: Using Exponential Moving Average with decay: 0.99
2024-12-08 10:13:21.980 INFO: Number of gradient updates: 75000
2024-12-08 10:13:21.980 INFO: Learning rate: 0.0001, weight decay: 5e-07
2024-12-08 10:13:21.980 INFO: WeightedEnergyForcesLoss(energy_weight=1.000, forces_weight=100.000)
2024-12-08 10:13:21.981 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 10:13:22.055 WARNING: No SWA checkpoint found, while SWA is enabled. Compare the swa_start parameter and the latest checkpoint.
2024-12-08 10:13:22.056 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),
2024-12-08 10:13:22.118 INFO: Using gradient clipping with tolerance=10.000
2024-12-08 10:13:22.118 INFO: 
2024-12-08 10:13:22.118 INFO: ===========TRAINING===========
2024-12-08 10:13:22.118 INFO: Started training, reporting errors on validation set
2024-12-08 10:13:22.118 INFO: Loss metrics on validation set
2024-12-08 10:13:40.264 INFO: Initial: head: default, loss=0.00000000, RMSE_E_per_atom=1176669.72 meV, RMSE_F=    7.38 meV / A
2024-12-08 10:16:19.918 INFO: Epoch 0: head: default, loss=0.00000000, RMSE_E_per_atom=1176669.77 meV, RMSE_F=    7.17 meV / A
2024-12-08 10:18:56.326 INFO: Epoch 1: head: default, loss=0.00000000, RMSE_E_per_atom=1176669.81 meV, RMSE_F=    6.96 meV / A
2024-12-08 10:21:32.251 INFO: Epoch 2: head: default, loss=0.00000000, RMSE_E_per_atom=1176669.85 meV, RMSE_F=    6.76 meV / A
2024-12-08 10:24:08.461 INFO: Epoch 3: head: default, loss=0.00000000, RMSE_E_per_atom=1176669.90 meV, RMSE_F=    6.55 meV / A
2024-12-08 10:26:44.298 INFO: Epoch 4: head: default, loss=0.00000000, RMSE_E_per_atom=1176669.94 meV, RMSE_F=    6.35 meV / A
2024-12-08 10:29:20.250 INFO: Epoch 5: head: default, loss=0.00000000, RMSE_E_per_atom=1176669.98 meV, RMSE_F=    6.15 meV / A
2024-12-08 10:31:56.501 INFO: Epoch 6: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.02 meV, RMSE_F=    5.95 meV / A
2024-12-08 10:34:32.661 INFO: Epoch 7: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.07 meV, RMSE_F=    5.74 meV / A
2024-12-08 10:37:08.718 INFO: Epoch 8: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.11 meV, RMSE_F=    5.53 meV / A
2024-12-08 10:39:44.687 INFO: Epoch 9: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.15 meV, RMSE_F=    5.33 meV / A
2024-12-08 10:42:20.637 INFO: Epoch 10: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.19 meV, RMSE_F=    5.13 meV / A
2024-12-08 10:44:56.744 INFO: Epoch 11: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.23 meV, RMSE_F=    4.94 meV / A
2024-12-08 10:47:32.991 INFO: Epoch 12: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.27 meV, RMSE_F=    4.75 meV / A
2024-12-08 10:50:09.163 INFO: Epoch 13: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.31 meV, RMSE_F=    4.56 meV / A
2024-12-08 10:52:45.292 INFO: Epoch 14: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.35 meV, RMSE_F=    4.39 meV / A
2024-12-08 10:55:21.681 INFO: Epoch 15: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.39 meV, RMSE_F=    4.22 meV / A
2024-12-08 10:57:57.888 INFO: Epoch 16: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.42 meV, RMSE_F=    4.05 meV / A
2024-12-08 11:00:33.786 INFO: Epoch 17: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.45 meV, RMSE_F=    3.89 meV / A
2024-12-08 11:03:09.861 INFO: Epoch 18: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.48 meV, RMSE_F=    3.74 meV / A
2024-12-08 11:05:45.806 INFO: Epoch 19: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.52 meV, RMSE_F=    3.59 meV / A
2024-12-08 11:08:21.632 INFO: Epoch 20: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.54 meV, RMSE_F=    3.44 meV / A
2024-12-08 11:10:57.825 INFO: Epoch 21: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.57 meV, RMSE_F=    3.31 meV / A
2024-12-08 11:13:33.873 INFO: Epoch 22: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.60 meV, RMSE_F=    3.17 meV / A
2024-12-08 11:16:10.145 INFO: Epoch 23: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.62 meV, RMSE_F=    3.05 meV / A
2024-12-08 11:18:46.646 INFO: Epoch 24: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.65 meV, RMSE_F=    2.93 meV / A
2024-12-08 11:21:22.819 INFO: Epoch 25: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.67 meV, RMSE_F=    2.81 meV / A
2024-12-08 11:23:59.108 INFO: Epoch 26: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.69 meV, RMSE_F=    2.70 meV / A
2024-12-08 11:26:35.216 INFO: Epoch 27: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.72 meV, RMSE_F=    2.59 meV / A
2024-12-08 11:29:11.524 INFO: Epoch 28: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.74 meV, RMSE_F=    2.49 meV / A
2024-12-08 11:31:47.773 INFO: Epoch 29: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.75 meV, RMSE_F=    2.39 meV / A
2024-12-08 11:34:23.914 INFO: Epoch 30: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.77 meV, RMSE_F=    2.29 meV / A
2024-12-08 11:37:00.266 INFO: Epoch 31: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.79 meV, RMSE_F=    2.20 meV / A
2024-12-08 11:39:36.559 INFO: Epoch 32: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.81 meV, RMSE_F=    2.11 meV / A
2024-12-08 11:42:12.778 INFO: Epoch 33: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.82 meV, RMSE_F=    2.03 meV / A
2024-12-08 11:44:48.982 INFO: Epoch 34: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.84 meV, RMSE_F=    1.95 meV / A
2024-12-08 11:47:25.070 INFO: Epoch 35: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.85 meV, RMSE_F=    1.87 meV / A
2024-12-08 11:50:01.240 INFO: Epoch 36: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.87 meV, RMSE_F=    1.80 meV / A
2024-12-08 11:52:37.450 INFO: Epoch 37: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.88 meV, RMSE_F=    1.72 meV / A
2024-12-08 11:55:13.585 INFO: Epoch 38: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.89 meV, RMSE_F=    1.66 meV / A
2024-12-08 11:57:49.773 INFO: Epoch 39: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.90 meV, RMSE_F=    1.59 meV / A
2024-12-08 12:00:25.994 INFO: Epoch 40: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.91 meV, RMSE_F=    1.53 meV / A
2024-12-08 12:03:01.951 INFO: Epoch 41: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.92 meV, RMSE_F=    1.47 meV / A
2024-12-08 12:05:38.237 INFO: Epoch 42: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.93 meV, RMSE_F=    1.41 meV / A
2024-12-08 12:08:14.348 INFO: Epoch 43: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.94 meV, RMSE_F=    1.36 meV / A
2024-12-08 12:10:50.694 INFO: Epoch 44: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.95 meV, RMSE_F=    1.30 meV / A
2024-12-08 12:13:26.770 INFO: Epoch 45: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.96 meV, RMSE_F=    1.25 meV / A
2024-12-08 12:16:02.599 INFO: Epoch 46: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.97 meV, RMSE_F=    1.20 meV / A
2024-12-08 12:18:38.571 INFO: Epoch 47: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.97 meV, RMSE_F=    1.16 meV / A
2024-12-08 12:21:14.923 INFO: Epoch 48: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.98 meV, RMSE_F=    1.11 meV / A
2024-12-08 12:23:51.129 INFO: Epoch 49: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.99 meV, RMSE_F=    1.07 meV / A
2024-12-08 12:26:27.202 INFO: Epoch 50: head: default, loss=0.00000000, RMSE_E_per_atom=1176670.99 meV, RMSE_F=    1.03 meV / A
2024-12-08 12:29:03.189 INFO: Epoch 51: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.00 meV, RMSE_F=    0.99 meV / A
2024-12-08 12:31:39.444 INFO: Epoch 52: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.01 meV, RMSE_F=    0.95 meV / A
2024-12-08 12:34:15.567 INFO: Epoch 53: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.01 meV, RMSE_F=    0.92 meV / A
2024-12-08 12:36:51.618 INFO: Epoch 54: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.01 meV, RMSE_F=    0.89 meV / A
2024-12-08 12:39:27.841 INFO: Epoch 55: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.02 meV, RMSE_F=    0.86 meV / A
2024-12-08 12:42:03.658 INFO: Epoch 56: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.02 meV, RMSE_F=    0.84 meV / A
2024-12-08 12:44:39.773 INFO: Epoch 57: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.03 meV, RMSE_F=    0.81 meV / A
2024-12-08 12:47:15.861 INFO: Epoch 58: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.03 meV, RMSE_F=    0.79 meV / A
2024-12-08 12:49:52.051 INFO: Epoch 59: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.03 meV, RMSE_F=    0.76 meV / A
2024-12-08 12:52:28.234 INFO: Epoch 60: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.04 meV, RMSE_F=    0.74 meV / A
2024-12-08 12:55:04.247 INFO: Epoch 61: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.04 meV, RMSE_F=    0.72 meV / A
2024-12-08 12:57:40.423 INFO: Epoch 62: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.04 meV, RMSE_F=    0.69 meV / A
2024-12-08 13:00:16.667 INFO: Epoch 63: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.04 meV, RMSE_F=    0.67 meV / A
2024-12-08 13:02:53.010 INFO: Epoch 64: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.05 meV, RMSE_F=    0.65 meV / A
2024-12-08 13:05:29.214 INFO: Epoch 65: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.05 meV, RMSE_F=    0.63 meV / A
2024-12-08 13:08:05.520 INFO: Epoch 66: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.05 meV, RMSE_F=    0.61 meV / A
2024-12-08 13:10:41.308 INFO: Epoch 67: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.05 meV, RMSE_F=    0.59 meV / A
2024-12-08 13:13:17.462 INFO: Epoch 68: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.06 meV, RMSE_F=    0.57 meV / A
2024-12-08 13:15:53.612 INFO: Epoch 69: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.06 meV, RMSE_F=    0.56 meV / A
2024-12-08 13:18:29.860 INFO: Epoch 70: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.06 meV, RMSE_F=    0.54 meV / A
2024-12-08 13:21:06.087 INFO: Epoch 71: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.06 meV, RMSE_F=    0.52 meV / A
2024-12-08 13:23:41.980 INFO: Epoch 72: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.06 meV, RMSE_F=    0.51 meV / A
2024-12-08 13:26:18.153 INFO: Epoch 73: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.07 meV, RMSE_F=    0.49 meV / A
2024-12-08 13:28:54.016 INFO: Epoch 74: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.07 meV, RMSE_F=    0.48 meV / A
2024-12-08 13:31:30.176 INFO: Epoch 75: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.07 meV, RMSE_F=    0.46 meV / A
2024-12-08 13:34:06.100 INFO: Epoch 76: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.07 meV, RMSE_F=    0.45 meV / A
2024-12-08 13:36:42.100 INFO: Epoch 77: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.07 meV, RMSE_F=    0.43 meV / A
2024-12-08 13:39:17.997 INFO: Epoch 78: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.07 meV, RMSE_F=    0.42 meV / A
2024-12-08 13:41:54.129 INFO: Epoch 79: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.07 meV, RMSE_F=    0.41 meV / A
2024-12-08 13:44:30.087 INFO: Epoch 80: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.40 meV / A
2024-12-08 13:47:06.483 INFO: Epoch 81: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.38 meV / A
2024-12-08 13:49:42.463 INFO: Epoch 82: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.37 meV / A
2024-12-08 13:52:18.509 INFO: Epoch 83: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.36 meV / A
2024-12-08 13:54:54.313 INFO: Epoch 84: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.35 meV / A
2024-12-08 13:57:30.607 INFO: Epoch 85: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.34 meV / A
2024-12-08 14:00:06.613 INFO: Epoch 86: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.33 meV / A
2024-12-08 14:02:42.779 INFO: Epoch 87: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.32 meV / A
2024-12-08 14:05:18.561 INFO: Epoch 88: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.31 meV / A
2024-12-08 14:07:54.703 INFO: Epoch 89: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.30 meV / A
2024-12-08 14:10:30.756 INFO: Epoch 90: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.29 meV / A
2024-12-08 14:13:07.043 INFO: Epoch 91: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.28 meV / A
2024-12-08 14:15:43.017 INFO: Epoch 92: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.27 meV / A
2024-12-08 14:18:18.837 INFO: Epoch 93: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.27 meV / A
2024-12-08 14:20:54.723 INFO: Epoch 94: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.26 meV / A
2024-12-08 14:23:30.556 INFO: Epoch 95: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.25 meV / A
2024-12-08 14:26:06.681 INFO: Epoch 96: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.24 meV / A
2024-12-08 14:28:42.678 INFO: Epoch 97: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.24 meV / A
2024-12-08 14:31:18.946 INFO: Epoch 98: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.23 meV / A
2024-12-08 14:33:55.127 INFO: Epoch 99: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.22 meV / A
2024-12-08 14:36:31.394 INFO: Epoch 100: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.22 meV / A
2024-12-08 14:39:07.366 INFO: Epoch 101: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.21 meV / A
2024-12-08 14:41:43.603 INFO: Epoch 102: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.20 meV / A
2024-12-08 14:44:19.821 INFO: Epoch 103: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.20 meV / A
2024-12-08 14:46:55.775 INFO: Epoch 104: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.19 meV / A
2024-12-08 14:49:31.668 INFO: Epoch 105: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.19 meV / A
2024-12-08 14:52:07.640 INFO: Epoch 106: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.18 meV / A
2024-12-08 14:54:43.776 INFO: Epoch 107: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.18 meV / A
2024-12-08 14:57:19.809 INFO: Epoch 108: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.18 meV / A
2024-12-08 14:59:55.838 INFO: Epoch 109: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.17 meV / A
2024-12-08 15:02:32.064 INFO: Epoch 110: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.17 meV / A
2024-12-08 15:05:08.314 INFO: Epoch 111: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.16 meV / A
2024-12-08 15:07:44.645 INFO: Epoch 112: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.16 meV / A
2024-12-08 15:10:20.955 INFO: Epoch 113: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.16 meV / A
2024-12-08 15:12:57.125 INFO: Epoch 114: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.15 meV / A
2024-12-08 15:15:33.393 INFO: Epoch 115: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.15 meV / A
2024-12-08 15:18:09.569 INFO: Epoch 116: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.15 meV / A
2024-12-08 15:20:45.808 INFO: Epoch 117: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.14 meV / A
2024-12-08 15:23:21.966 INFO: Epoch 118: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.14 meV / A
2024-12-08 15:25:58.075 INFO: Epoch 119: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.14 meV / A
2024-12-08 15:28:34.025 INFO: Epoch 120: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.13 meV / A
2024-12-08 15:31:10.120 INFO: Epoch 121: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.13 meV / A
2024-12-08 15:33:46.086 INFO: Epoch 122: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.13 meV / A
2024-12-08 15:36:21.994 INFO: Epoch 123: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.12 meV / A
2024-12-08 15:38:58.145 INFO: Epoch 124: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.12 meV / A
2024-12-08 15:41:33.954 INFO: Epoch 125: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.12 meV / A
2024-12-08 15:44:09.831 INFO: Epoch 126: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.12 meV / A
2024-12-08 15:46:46.082 INFO: Epoch 127: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.11 meV / A
2024-12-08 15:49:22.359 INFO: Epoch 128: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.11 meV / A
2024-12-08 15:51:58.587 INFO: Epoch 129: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.11 meV / A
2024-12-08 15:54:34.502 INFO: Epoch 130: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.11 meV / A
2024-12-08 15:57:10.692 INFO: Epoch 131: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.10 meV / A
2024-12-08 15:59:47.099 INFO: Epoch 132: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.10 meV / A
2024-12-08 16:02:23.062 INFO: Epoch 133: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.10 meV / A
2024-12-08 16:04:59.264 INFO: Epoch 134: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.10 meV / A
2024-12-08 16:07:35.388 INFO: Epoch 135: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.09 meV / A
2024-12-08 16:10:11.501 INFO: Epoch 136: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.09 meV / A
2024-12-08 16:12:47.698 INFO: Epoch 137: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.09 meV / A
2024-12-08 16:15:23.488 INFO: Epoch 138: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.09 meV / A
2024-12-08 16:17:59.708 INFO: Epoch 139: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.09 meV / A
2024-12-08 16:20:35.969 INFO: Epoch 140: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.08 meV / A
2024-12-08 16:23:12.137 INFO: Epoch 141: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.08 meV / A
2024-12-08 16:25:48.100 INFO: Epoch 142: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.08 meV / A
2024-12-08 16:28:24.076 INFO: Epoch 143: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.08 meV / A
2024-12-08 16:31:00.268 INFO: Epoch 144: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.08 meV / A
2024-12-08 16:33:36.168 INFO: Epoch 145: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.08 meV / A
2024-12-08 16:36:12.404 INFO: Epoch 146: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.07 meV / A
2024-12-08 16:38:48.697 INFO: Epoch 147: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.07 meV / A
2024-12-08 16:41:25.016 INFO: Epoch 148: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.07 meV / A
2024-12-08 16:44:01.168 INFO: Epoch 149: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.07 meV / A
2024-12-08 16:46:37.204 INFO: Epoch 150: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.07 meV / A
2024-12-08 16:49:13.324 INFO: Epoch 151: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.07 meV / A
2024-12-08 16:51:49.695 INFO: Epoch 152: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.07 meV / A
2024-12-08 16:54:25.881 INFO: Epoch 153: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.06 meV / A
2024-12-08 16:57:02.130 INFO: Epoch 154: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.06 meV / A
2024-12-08 16:59:38.408 INFO: Epoch 155: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.06 meV / A
2024-12-08 17:02:14.749 INFO: Epoch 156: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.06 meV / A
2024-12-08 17:04:51.080 INFO: Epoch 157: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.06 meV / A
2024-12-08 17:07:27.198 INFO: Epoch 158: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.06 meV / A
2024-12-08 17:10:03.203 INFO: Epoch 159: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.06 meV / A
2024-12-08 17:12:39.286 INFO: Epoch 160: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.06 meV / A
2024-12-08 17:15:15.473 INFO: Epoch 161: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.06 meV / A
2024-12-08 17:17:51.865 INFO: Epoch 162: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.06 meV / A
2024-12-08 17:20:28.070 INFO: Epoch 163: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.05 meV / A
2024-12-08 17:23:03.845 INFO: Epoch 164: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.05 meV / A
2024-12-08 17:25:39.978 INFO: Epoch 165: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.05 meV / A
2024-12-08 17:28:16.316 INFO: Epoch 166: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.05 meV / A
2024-12-08 17:30:52.232 INFO: Epoch 167: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.05 meV / A
2024-12-08 17:33:28.456 INFO: Epoch 168: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.05 meV / A
2024-12-08 17:36:04.506 INFO: Epoch 169: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.05 meV / A
2024-12-08 17:38:40.611 INFO: Epoch 170: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.05 meV / A
2024-12-08 17:41:16.979 INFO: Epoch 171: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.05 meV / A
2024-12-08 17:43:53.242 INFO: Epoch 172: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.05 meV / A
2024-12-08 17:46:29.564 INFO: Epoch 173: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.05 meV / A
2024-12-08 17:49:05.395 INFO: Epoch 174: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.05 meV / A
2024-12-08 17:51:41.281 INFO: Epoch 175: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.05 meV / A
2024-12-08 17:54:17.366 INFO: Epoch 176: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.04 meV / A
2024-12-08 17:56:53.591 INFO: Epoch 177: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.04 meV / A
2024-12-08 17:59:29.822 INFO: Epoch 178: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.04 meV / A
2024-12-08 18:02:05.996 INFO: Epoch 179: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.04 meV / A
2024-12-08 18:04:42.035 INFO: Epoch 180: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.04 meV / A
2024-12-08 18:07:18.217 INFO: Epoch 181: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.04 meV / A
2024-12-08 18:09:54.045 INFO: Epoch 182: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.04 meV / A
2024-12-08 18:12:30.090 INFO: Epoch 183: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.04 meV / A
2024-12-08 18:15:05.957 INFO: Epoch 184: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.04 meV / A
2024-12-08 18:17:41.802 INFO: Epoch 185: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.04 meV / A
2024-12-08 18:20:17.818 INFO: Epoch 186: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.04 meV / A
2024-12-08 18:22:53.687 INFO: Epoch 187: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.04 meV / A
2024-12-08 18:25:29.917 INFO: Epoch 188: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.04 meV / A
2024-12-08 18:28:05.933 INFO: Epoch 189: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.04 meV / A
2024-12-08 18:30:41.720 INFO: Epoch 190: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.04 meV / A
2024-12-08 18:33:17.622 INFO: Epoch 191: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.04 meV / A
2024-12-08 18:35:53.670 INFO: Epoch 192: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.04 meV / A
2024-12-08 18:38:29.398 INFO: Epoch 193: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 18:41:05.428 INFO: Epoch 194: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 18:43:41.483 INFO: Epoch 195: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 18:46:17.651 INFO: Epoch 196: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 18:48:53.955 INFO: Epoch 197: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 18:51:30.075 INFO: Epoch 198: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 18:54:06.239 INFO: Epoch 199: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 18:56:42.314 INFO: Epoch 200: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 18:59:18.354 INFO: Epoch 201: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 19:01:54.483 INFO: Epoch 202: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 19:04:30.572 INFO: Epoch 203: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 19:07:06.613 INFO: Epoch 204: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 19:09:42.539 INFO: Epoch 205: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 19:12:18.631 INFO: Epoch 206: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 19:14:54.749 INFO: Epoch 207: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 19:17:30.692 INFO: Epoch 208: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 19:20:06.752 INFO: Epoch 209: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 19:22:42.730 INFO: Epoch 210: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 19:25:18.790 INFO: Epoch 211: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 19:27:55.097 INFO: Epoch 212: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 19:30:31.387 INFO: Epoch 213: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 19:33:07.273 INFO: Epoch 214: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 19:35:43.430 INFO: Epoch 215: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 19:38:19.777 INFO: Epoch 216: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 19:40:55.679 INFO: Epoch 217: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 19:43:31.412 INFO: Epoch 218: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 19:46:07.388 INFO: Epoch 219: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 19:48:43.427 INFO: Epoch 220: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 19:51:19.592 INFO: Epoch 221: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 19:53:55.722 INFO: Epoch 222: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 19:56:31.927 INFO: Epoch 223: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.03 meV / A
2024-12-08 19:59:08.043 INFO: Epoch 224: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 20:01:44.141 INFO: Epoch 225: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 20:04:20.189 INFO: Epoch 226: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 20:06:56.279 INFO: Epoch 227: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 20:09:32.371 INFO: Epoch 228: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 20:12:08.588 INFO: Epoch 229: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 20:14:44.707 INFO: Epoch 230: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 20:17:20.841 INFO: Epoch 231: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 20:19:57.048 INFO: Epoch 232: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 20:22:33.125 INFO: Epoch 233: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 20:25:09.191 INFO: Epoch 234: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 20:27:45.286 INFO: Epoch 235: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 20:30:21.417 INFO: Epoch 236: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 20:32:57.609 INFO: Epoch 237: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 20:35:33.708 INFO: Epoch 238: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 20:38:09.904 INFO: Epoch 239: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 20:40:45.699 INFO: Epoch 240: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 20:43:21.816 INFO: Epoch 241: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 20:45:57.558 INFO: Epoch 242: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 20:48:33.624 INFO: Epoch 243: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 20:51:09.471 INFO: Epoch 244: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 20:53:45.478 INFO: Epoch 245: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 20:56:21.563 INFO: Epoch 246: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 20:58:57.610 INFO: Epoch 247: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:01:33.792 INFO: Epoch 248: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:04:09.975 INFO: Epoch 249: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:06:45.769 INFO: Epoch 250: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:09:21.653 INFO: Epoch 251: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:11:57.729 INFO: Epoch 252: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:14:33.537 INFO: Epoch 253: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:17:09.402 INFO: Epoch 254: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:19:45.150 INFO: Epoch 255: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:22:21.156 INFO: Epoch 256: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:24:57.229 INFO: Epoch 257: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:27:33.191 INFO: Epoch 258: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:30:09.299 INFO: Epoch 259: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:32:45.783 INFO: Epoch 260: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:35:21.903 INFO: Epoch 261: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:37:57.972 INFO: Epoch 262: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:40:33.879 INFO: Epoch 263: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:43:09.617 INFO: Epoch 264: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:45:45.788 INFO: Epoch 265: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:48:21.437 INFO: Epoch 266: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:50:57.422 INFO: Epoch 267: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:53:33.538 INFO: Epoch 268: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:56:09.450 INFO: Epoch 269: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 21:58:45.280 INFO: Epoch 270: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:01:21.454 INFO: Epoch 271: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:03:57.359 INFO: Epoch 272: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:06:33.513 INFO: Epoch 273: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:09:09.606 INFO: Epoch 274: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:11:45.699 INFO: Epoch 275: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:14:21.842 INFO: Epoch 276: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:16:57.765 INFO: Epoch 277: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:19:33.827 INFO: Epoch 278: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:22:09.643 INFO: Epoch 279: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:24:45.761 INFO: Epoch 280: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:27:21.595 INFO: Epoch 281: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:29:57.683 INFO: Epoch 282: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:32:33.619 INFO: Epoch 283: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:35:09.711 INFO: Epoch 284: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:37:45.453 INFO: Epoch 285: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:40:21.601 INFO: Epoch 286: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:42:57.493 INFO: Epoch 287: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:45:33.661 INFO: Epoch 288: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:48:09.913 INFO: Epoch 289: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:50:46.103 INFO: Epoch 290: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:53:22.252 INFO: Epoch 291: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:55:58.470 INFO: Epoch 292: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 22:58:34.535 INFO: Epoch 293: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:01:10.759 INFO: Epoch 294: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:03:46.841 INFO: Epoch 295: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:06:22.568 INFO: Epoch 296: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:08:58.754 INFO: Epoch 297: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:11:34.847 INFO: Epoch 298: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:14:11.019 INFO: Epoch 299: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:16:47.105 INFO: Epoch 300: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.02 meV / A
2024-12-08 23:19:23.257 INFO: Epoch 301: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-08 23:21:59.117 INFO: Epoch 302: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-08 23:24:35.120 INFO: Epoch 303: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-08 23:27:11.137 INFO: Epoch 304: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-08 23:29:47.174 INFO: Epoch 305: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-08 23:32:23.001 INFO: Epoch 306: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-08 23:34:58.819 INFO: Epoch 307: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-08 23:37:35.240 INFO: Epoch 308: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-08 23:40:11.081 INFO: Epoch 309: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-08 23:42:47.188 INFO: Epoch 310: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-08 23:45:22.898 INFO: Epoch 311: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-08 23:47:58.998 INFO: Epoch 312: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-08 23:50:35.162 INFO: Epoch 313: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-08 23:53:11.222 INFO: Epoch 314: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-08 23:55:47.219 INFO: Epoch 315: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-08 23:58:23.065 INFO: Epoch 316: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-09 00:00:58.949 INFO: Epoch 317: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-09 00:03:34.629 INFO: Epoch 318: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-09 00:06:10.422 INFO: Epoch 319: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-09 00:08:46.149 INFO: Epoch 320: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-09 00:11:22.251 INFO: Epoch 321: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-09 00:13:58.267 INFO: Epoch 322: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-09 00:16:34.428 INFO: Epoch 323: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-09 00:19:10.536 INFO: Epoch 324: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-09 00:21:46.345 INFO: Epoch 325: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-09 00:24:22.470 INFO: Epoch 326: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.09 meV, RMSE_F=    0.01 meV / A
2024-12-09 00:26:58.661 INFO: Epoch 327: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 00:29:34.704 INFO: Epoch 328: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 00:32:10.765 INFO: Epoch 329: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 00:34:46.657 INFO: Epoch 330: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 00:37:22.771 INFO: Epoch 331: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 00:39:58.592 INFO: Epoch 332: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 00:42:34.735 INFO: Epoch 333: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 00:45:11.052 INFO: Epoch 334: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 00:47:46.845 INFO: Epoch 335: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 00:50:22.815 INFO: Epoch 336: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 00:52:58.920 INFO: Epoch 337: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 00:55:34.682 INFO: Epoch 338: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 00:58:10.808 INFO: Epoch 339: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:00:46.786 INFO: Epoch 340: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:03:22.599 INFO: Epoch 341: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:05:58.354 INFO: Epoch 342: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:08:34.122 INFO: Epoch 343: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:11:10.003 INFO: Epoch 344: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:13:46.012 INFO: Epoch 345: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:16:21.886 INFO: Epoch 346: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:18:57.885 INFO: Epoch 347: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:21:33.950 INFO: Epoch 348: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:24:09.962 INFO: Epoch 349: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:26:46.048 INFO: Epoch 350: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:29:21.836 INFO: Epoch 351: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:31:57.931 INFO: Epoch 352: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:34:34.022 INFO: Epoch 353: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:37:10.172 INFO: Epoch 354: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:39:46.313 INFO: Epoch 355: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:42:22.281 INFO: Epoch 356: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:44:58.311 INFO: Epoch 357: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:47:34.107 INFO: Epoch 358: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:50:10.254 INFO: Epoch 359: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:52:46.012 INFO: Epoch 360: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:55:22.250 INFO: Epoch 361: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 01:57:58.395 INFO: Epoch 362: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:00:34.427 INFO: Epoch 363: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:03:10.562 INFO: Epoch 364: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:05:46.665 INFO: Epoch 365: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:08:22.776 INFO: Epoch 366: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:10:58.839 INFO: Epoch 367: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:13:34.835 INFO: Epoch 368: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:16:10.973 INFO: Epoch 369: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:18:46.981 INFO: Epoch 370: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:21:23.217 INFO: Epoch 371: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:23:59.244 INFO: Epoch 372: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:26:35.248 INFO: Epoch 373: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:29:11.449 INFO: Epoch 374: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:29:11.450 INFO: Changing loss based on Stage Two Weights
2024-12-09 02:31:47.601 INFO: Epoch 375: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:34:23.782 INFO: Epoch 376: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:36:59.527 INFO: Epoch 377: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:39:35.318 INFO: Epoch 378: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:42:11.194 INFO: Epoch 379: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:44:47.114 INFO: Epoch 380: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.01 meV / A
2024-12-09 02:47:23.030 INFO: Epoch 381: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 02:49:59.231 INFO: Epoch 382: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 02:52:35.012 INFO: Epoch 383: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 02:55:10.766 INFO: Epoch 384: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 02:57:46.758 INFO: Epoch 385: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:00:22.720 INFO: Epoch 386: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:02:59.027 INFO: Epoch 387: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:05:34.985 INFO: Epoch 388: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:08:11.140 INFO: Epoch 389: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:10:46.953 INFO: Epoch 390: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:13:23.071 INFO: Epoch 391: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:15:58.864 INFO: Epoch 392: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:18:35.029 INFO: Epoch 393: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:21:11.142 INFO: Epoch 394: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:23:47.177 INFO: Epoch 395: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:26:23.002 INFO: Epoch 396: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:28:59.175 INFO: Epoch 397: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:31:35.410 INFO: Epoch 398: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:34:11.621 INFO: Epoch 399: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:36:47.566 INFO: Epoch 400: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:39:23.387 INFO: Epoch 401: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:41:59.460 INFO: Epoch 402: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:44:35.562 INFO: Epoch 403: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:47:11.606 INFO: Epoch 404: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:49:47.445 INFO: Epoch 405: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:52:23.642 INFO: Epoch 406: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:54:59.455 INFO: Epoch 407: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 03:57:35.390 INFO: Epoch 408: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:00:11.247 INFO: Epoch 409: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:02:47.452 INFO: Epoch 410: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:05:23.646 INFO: Epoch 411: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:07:59.515 INFO: Epoch 412: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:10:35.485 INFO: Epoch 413: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:13:11.616 INFO: Epoch 414: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:15:47.778 INFO: Epoch 415: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:18:23.685 INFO: Epoch 416: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:20:59.837 INFO: Epoch 417: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:23:35.758 INFO: Epoch 418: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:26:11.627 INFO: Epoch 419: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:28:47.829 INFO: Epoch 420: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:31:23.904 INFO: Epoch 421: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:34:00.025 INFO: Epoch 422: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:36:36.076 INFO: Epoch 423: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:39:12.184 INFO: Epoch 424: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:41:48.022 INFO: Epoch 425: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:44:23.895 INFO: Epoch 426: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:47:00.085 INFO: Epoch 427: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:49:36.201 INFO: Epoch 428: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:52:12.065 INFO: Epoch 429: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:54:48.123 INFO: Epoch 430: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 04:57:24.359 INFO: Epoch 431: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:00:00.205 INFO: Epoch 432: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:02:36.189 INFO: Epoch 433: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:05:12.352 INFO: Epoch 434: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:07:48.405 INFO: Epoch 435: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:10:24.284 INFO: Epoch 436: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:13:00.501 INFO: Epoch 437: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:15:36.573 INFO: Epoch 438: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:18:12.455 INFO: Epoch 439: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:20:48.540 INFO: Epoch 440: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:23:24.380 INFO: Epoch 441: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:26:00.423 INFO: Epoch 442: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:28:36.429 INFO: Epoch 443: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:31:12.606 INFO: Epoch 444: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:33:48.691 INFO: Epoch 445: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:36:24.802 INFO: Epoch 446: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:39:00.764 INFO: Epoch 447: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:41:36.852 INFO: Epoch 448: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:44:12.723 INFO: Epoch 449: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:46:48.879 INFO: Epoch 450: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:49:25.046 INFO: Epoch 451: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:52:01.157 INFO: Epoch 452: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:54:36.957 INFO: Epoch 453: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:57:12.988 INFO: Epoch 454: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 05:59:49.627 INFO: Epoch 455: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:02:25.652 INFO: Epoch 456: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:05:02.147 INFO: Epoch 457: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:07:38.369 INFO: Epoch 458: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:10:14.493 INFO: Epoch 459: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:12:50.926 INFO: Epoch 460: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:15:27.013 INFO: Epoch 461: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:18:03.118 INFO: Epoch 462: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:20:38.961 INFO: Epoch 463: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:23:14.741 INFO: Epoch 464: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:25:50.908 INFO: Epoch 465: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:28:27.152 INFO: Epoch 466: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:31:03.028 INFO: Epoch 467: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:33:39.165 INFO: Epoch 468: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:36:15.215 INFO: Epoch 469: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:38:51.396 INFO: Epoch 470: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:41:27.051 INFO: Epoch 471: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:44:03.142 INFO: Epoch 472: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:46:39.158 INFO: Epoch 473: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:49:15.471 INFO: Epoch 474: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:51:51.598 INFO: Epoch 475: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:54:27.616 INFO: Epoch 476: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:57:03.813 INFO: Epoch 477: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 06:59:39.599 INFO: Epoch 478: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:02:15.691 INFO: Epoch 479: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:04:51.636 INFO: Epoch 480: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:07:27.475 INFO: Epoch 481: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:10:03.474 INFO: Epoch 482: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:12:39.483 INFO: Epoch 483: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:15:15.630 INFO: Epoch 484: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:17:51.419 INFO: Epoch 485: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:20:27.665 INFO: Epoch 486: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:23:03.806 INFO: Epoch 487: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:25:39.653 INFO: Epoch 488: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:28:15.829 INFO: Epoch 489: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:30:52.082 INFO: Epoch 490: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:33:28.293 INFO: Epoch 491: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:36:04.335 INFO: Epoch 492: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:38:40.175 INFO: Epoch 493: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:41:16.304 INFO: Epoch 494: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:43:52.338 INFO: Epoch 495: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:46:28.480 INFO: Epoch 496: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:49:04.595 INFO: Epoch 497: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:51:40.825 INFO: Epoch 498: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:54:16.811 INFO: Epoch 499: head: default, loss=0.00000000, RMSE_E_per_atom=1176671.08 meV, RMSE_F=    0.00 meV / A
2024-12-09 07:54:16.811 INFO: Training complete
2024-12-09 07:54:16.811 INFO: 
2024-12-09 07:54:16.812 INFO: ===========RESULTS===========
2024-12-09 07:54:16.812 INFO: Computing metrics for training, validation, and test sets
2024-12-09 07:54:29.630 INFO: Loading checkpoint: ./checkpoints/MACE_model_run-123_epoch-0.pt
2024-12-09 07:54:29.891 INFO: Loaded Stage one model from epoch 0 for evaluation
2024-12-09 07:54:29.891 INFO: Evaluating train_default ...
2024-12-09 07:55:15.412 INFO: Evaluating valid_default ...
2024-12-09 07:55:31.442 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     |    717736406.56   |
| valid_default |      1176669.8      |          7.2     |    716982530.07   |
+---------------+---------------------+------------------+-------------------+
2024-12-09 07:55:31.442 INFO: Evaluating Default_Default ...
2024-12-09 07:55:47.983 INFO: Error-table on TEST:
+-----------------+---------------------+------------------+-------------------+
|   config_type   | RMSE E / meV / atom | RMSE F / meV / A | relative F RMSE % |
+-----------------+---------------------+------------------+-------------------+
| Default_Default |      1176669.8      |          7.2     |    721099298.38   |
+-----------------+---------------------+------------------+-------------------+
2024-12-09 07:55:47.983 INFO: Saving model to checkpoints/MACE_model_run-123.model
2024-12-09 07:55:48.166 INFO: Compiling model, saving metadata to MACE_model_compiled.model
2024-12-09 07:55:48.849 INFO: Loading checkpoint: ./checkpoints/MACE_model_run-123_epoch-375_swa.pt
2024-12-09 07:55:48.941 INFO: Loaded Stage two model from epoch 375 for evaluation
2024-12-09 07:55:48.941 INFO: Evaluating train_default ...
2024-12-09 07:56:34.576 INFO: Evaluating valid_default ...
2024-12-09 07:56:50.616 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     |     1053158.40    |
| valid_default |      1176671.1      |          0.0     |     1053666.74    |
+---------------+---------------------+------------------+-------------------+
2024-12-09 07:56:50.616 INFO: Evaluating Default_Default ...
2024-12-09 07:57:07.197 INFO: Error-table on TEST:
+-----------------+---------------------+------------------+-------------------+
|   config_type   | RMSE E / meV / atom | RMSE F / meV / A | relative F RMSE % |
+-----------------+---------------------+------------------+-------------------+
| Default_Default |      1176671.1      |          0.0     |     1039398.43    |
+-----------------+---------------------+------------------+-------------------+
2024-12-09 07:57:07.198 INFO: Saving model to checkpoints/MACE_model_run-123_stagetwo.model
2024-12-09 07:57:07.384 INFO: Compiling model, saving metadata MACE_model_stagetwo_compiled.model
2024-12-09 07:57:08.017 INFO: Done
Train end time: 2024-12-09_07:57:09
Training duration: 78303 seconds
Training duration: 21h 45m 3s