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Train start time: 2024-12-07_06:57:52 |
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Torch device: cuda |
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Processing dataset... |
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Loaded data: Batch(atomic_numbers=[2400000, 1], batch=[2400000], cell=[6000, 3, 3], edge_cell_shift=[82543766, 3], edge_index=[2, 82543766], forces=[2400000, 3], pbc=[6000, 3], pos=[2400000, 3], ptr=[6001], total_energy=[6000, 1]) |
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processed data size: ~3295.80 MB |
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Cached processed data to disk |
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Done! |
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Successfully loaded the data set of type ASEDataset(6000)... |
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Traceback (most recent call last): |
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File "/users/PAS2490/marcusshen/miniconda3/envs/nequip_env/bin/nequip-train", line 8, in <module> |
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sys.exit(main()) |
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File "/users/PAS2490/marcusshen/miniconda3/envs/nequip_env/lib/python3.9/site-packages/nequip/scripts/train.py", line 94, in main |
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trainer = fresh_start(config) |
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File "/users/PAS2490/marcusshen/miniconda3/envs/nequip_env/lib/python3.9/site-packages/nequip/scripts/train.py", line 219, in fresh_start |
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trainer.set_dataset(dataset, validation_dataset) |
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File "/users/PAS2490/marcusshen/miniconda3/envs/nequip_env/lib/python3.9/site-packages/nequip/train/trainer.py", line 1217, in set_dataset |
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raise ValueError( |
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ValueError: too little data for training and validation. please reduce n_train and n_val |
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Traceback (most recent call last): |
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File "/users/PAS2490/marcusshen/miniconda3/envs/nequip_env/bin/nequip-evaluate", line 8, in <module> |
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sys.exit(main()) |
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File "/users/PAS2490/marcusshen/miniconda3/envs/nequip_env/lib/python3.9/site-packages/nequip/scripts/evaluate.py", line 196, in main |
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trainer = torch.load( |
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File "/users/PAS2490/marcusshen/miniconda3/envs/nequip_env/lib/python3.9/site-packages/torch/serialization.py", line 1319, in load |
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with _open_file_like(f, "rb") as opened_file: |
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File "/users/PAS2490/marcusshen/miniconda3/envs/nequip_env/lib/python3.9/site-packages/torch/serialization.py", line 659, in _open_file_like |
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return _open_file(name_or_buffer, mode) |
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File "/users/PAS2490/marcusshen/miniconda3/envs/nequip_env/lib/python3.9/site-packages/torch/serialization.py", line 640, in __init__ |
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super().__init__(open(name, mode)) |
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FileNotFoundError: [Errno 2] No such file or directory: 'results/adsorption/trainer.pth' |
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Train end time: 2024-12-07_07:00:50 |
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Training duration: 0h 2m 58s |
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