Comments (4)
heyfavour
commented on August 27, 2024
me too it's normal in linuxใbut i run it in windows ๏ผit will raise RuntimeError: Failed to build object with prefix dataset using builder NpzDataset
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Linux-cpp-lisp
commented on August 27, 2024
This error could come from a lot of different root causes, can you please post the rest of the error message, even if Windows was the cause, for future reference?
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Quicken90905
commented on August 27, 2024
I am using Ubuntu 20.04, on Windows 10 I wasn't able to get this far and after seeing this issue decided not to continue with Windows. First, the error was caused by the lack of a r_max variable in the yaml file, but after adding it as r_max: 4 the error still presists:
nequip-train test.yaml
Torch device: cpu
Processing dataset...
multiprocessing.pool.RemoteTraceback:
"""
Traceback (most recent call last):
File "/home/lukas/anaconda3/envs/soc/lib/python3.7/multiprocessing/pool.py", line 121, in worker
result = (True, func(*args, **kwds))
File "/home/lukas/anaconda3/envs/soc/lib/python3.7/multiprocessing/pool.py", line 44, in mapstar
return list(map(*args))
File "/home/lukas/anaconda3/envs/soc/lib/python3.7/site-packages/nequip/data/dataset.py", line 790, in _ase_dataset_reader
if global_index in include_frames
File "/home/lukas/anaconda3/envs/soc/lib/python3.7/site-packages/nequip/data/AtomicData.py", line 449, in from_ase
**add_fields,
File "/home/lukas/anaconda3/envs/soc/lib/python3.7/site-packages/nequip/data/AtomicData.py", line 330, in from_points
return cls(edge_index=edge_index, pos=torch.as_tensor(pos), **kwargs)
File "/home/lukas/anaconda3/envs/soc/lib/python3.7/site-packages/nequip/data/AtomicData.py", line 225, in __init__
_process_dict(kwargs)
File "/home/lukas/anaconda3/envs/soc/lib/python3.7/site-packages/nequip/data/AtomicData.py", line 155, in _process_dict
kwargs[k] = v.unsqueeze(-1)
AttributeError: 'numpy.int64' object has no attribute 'unsqueeze'
"""
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "/home/lukas/anaconda3/envs/soc/lib/python3.7/site-packages/nequip/utils/auto_init.py", line 232, in instantiate
instance = builder(**positional_args, **final_optional_args)
File "/home/lukas/anaconda3/envs/soc/lib/python3.7/site-packages/nequip/data/dataset.py", line 887, in __init__
type_mapper=type_mapper,
File "/home/lukas/anaconda3/envs/soc/lib/python3.7/site-packages/nequip/data/dataset.py", line 166, in __init__
super().__init__(root=root, type_mapper=type_mapper)
File "/home/lukas/anaconda3/envs/soc/lib/python3.7/site-packages/nequip/data/dataset.py", line 50, in __init__
super().__init__(root=root, transform=type_mapper)
File "/home/lukas/anaconda3/envs/soc/lib/python3.7/site-packages/nequip/utils/torch_geometric/dataset.py", line 91, in __init__
self._process()
File "/home/lukas/anaconda3/envs/soc/lib/python3.7/site-packages/nequip/utils/torch_geometric/dataset.py", line 176, in _process
self.process()
File "/home/lukas/anaconda3/envs/soc/lib/python3.7/site-packages/nequip/data/dataset.py", line 218, in process
data = self.get_data()
File "/home/lukas/anaconda3/envs/soc/lib/python3.7/site-packages/nequip/data/dataset.py", line 964, in get_data
datas = p.map(reader, list(range(n_proc)))
File "/home/lukas/anaconda3/envs/soc/lib/python3.7/multiprocessing/pool.py", line 268, in map
return self._map_async(func, iterable, mapstar, chunksize).get()
File "/home/lukas/anaconda3/envs/soc/lib/python3.7/multiprocessing/pool.py", line 657, in get
raise self._value
AttributeError: 'numpy.int64' object has no attribute 'unsqueeze'
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "/home/lukas/anaconda3/envs/soc/bin/nequip-train", line 10, in <module>
sys.exit(main())
File "/home/lukas/anaconda3/envs/soc/lib/python3.7/site-packages/nequip/scripts/train.py", line 72, in main
trainer = fresh_start(config)
File "/home/lukas/anaconda3/envs/soc/lib/python3.7/site-packages/nequip/scripts/train.py", line 148, in fresh_start
dataset = dataset_from_config(config, prefix="dataset")
File "/home/lukas/anaconda3/envs/soc/lib/python3.7/site-packages/nequip/data/_build.py", line 82, in dataset_from_config
optional_args=config,
File "/home/lukas/anaconda3/envs/soc/lib/python3.7/site-packages/nequip/utils/auto_init.py", line 236, in instantiate
) from e
RuntimeError: Failed to build object with prefix `dataset` using builder `ASEDataset`
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heyfavour
commented on August 27, 2024
my error caused by that handle of tmp file not released,in your code ,you rename tmp file but something is different in windows. so it cause error,but it's normal in linux
in win11
install miniconda ;install python 3.8 ; pip install nequip ;
then run your demo you can reproducing errors
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