Train start time: 2024-12-07_07:01:22
Torch device: cuda
Processing dataset...
Loaded data: Batch(atomic_numbers=[704000, 1], batch=[704000], cell=[2000, 3, 3], edge_cell_shift=[23812294, 3], edge_index=[2, 23812294], forces=[704000, 3], pbc=[2000, 3], pos=[704000, 3], ptr=[2001], total_energy=[2000, 1])
    processed data size: ~951.51 MB
Cached processed data to disk
Done!
Successfully loaded the data set of type ASEDataset(2000)...
Traceback (most recent call last):
  File "/users/PAS2490/marcusshen/miniconda3/envs/nequip_env/bin/nequip-train", line 8, in <module>
    sys.exit(main())
  File "/users/PAS2490/marcusshen/miniconda3/envs/nequip_env/lib/python3.9/site-packages/nequip/scripts/train.py", line 94, in main
    trainer = fresh_start(config)
  File "/users/PAS2490/marcusshen/miniconda3/envs/nequip_env/lib/python3.9/site-packages/nequip/scripts/train.py", line 219, in fresh_start
    trainer.set_dataset(dataset, validation_dataset)
  File "/users/PAS2490/marcusshen/miniconda3/envs/nequip_env/lib/python3.9/site-packages/nequip/train/trainer.py", line 1217, in set_dataset
    raise ValueError(
ValueError: too little data for training and validation. please reduce n_train and n_val
Traceback (most recent call last):
  File "/users/PAS2490/marcusshen/miniconda3/envs/nequip_env/bin/nequip-evaluate", line 8, in <module>
    sys.exit(main())
  File "/users/PAS2490/marcusshen/miniconda3/envs/nequip_env/lib/python3.9/site-packages/nequip/scripts/evaluate.py", line 196, in main
    trainer = torch.load(
  File "/users/PAS2490/marcusshen/miniconda3/envs/nequip_env/lib/python3.9/site-packages/torch/serialization.py", line 1319, in load
    with _open_file_like(f, "rb") as opened_file:
  File "/users/PAS2490/marcusshen/miniconda3/envs/nequip_env/lib/python3.9/site-packages/torch/serialization.py", line 659, in _open_file_like
    return _open_file(name_or_buffer, mode)
  File "/users/PAS2490/marcusshen/miniconda3/envs/nequip_env/lib/python3.9/site-packages/torch/serialization.py", line 640, in __init__
    super().__init__(open(name, mode))
FileNotFoundError: [Errno 2] No such file or directory: 'results/adsorption/trainer.pth'
Train end time: 2024-12-07_07:02:23
Training duration: 0h 1m 1s