Comments (4)
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
from nequip.
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?
from nequip.
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`
from nequip.
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
from nequip.
Related Issues (20)
- ๐ [BUG] Batchsize Problem in PerAtomMSELoss HOT 4
- The difference between two validation metrics in file logโ [QUESTION] HOT 1
- โ [QUESTION] Colab tutorial HOT 1
- โ [QUESTION] Restart run HOT 1
- issue when using nequip-deploy ๐ [BUG] HOT 9
- ๐ [BUG] Cannot restart run with different dataset HOT 4
- Is it possible to train on xyz format data with multiple moleculesโ [QUESTION] HOT 2
- run works on colab but fails on spyderโ [QUESTION] HOT 4
- โ [QUESTION] Custom layer with control structure not supported? HOT 1
- The use of nequip command HOT 1
- ๐ [FEATURE]How to Train and Validate on Separate Datasets HOT 2
- How to do custom EarlyStopping?โ [QUESTION] HOT 4
- โ [QUESTION]
- โ [QUESTION] About the data class AtomicData HOT 3
- bugs with "initialize_from_state"๐ [BUG] HOT 5
- how to choose nosehoover the value of nvt_qโ [QUESTION]
- โ [QUESTION]Finetuning Validation Error Higher than Pre-training Error in Nequip HOT 1
- Confusion about `num_frames` attribute in `HDF5Dataset` HOT 1
- โ [QUESTION]how can I use the ase calculator for testing ?
Recommend Projects
-
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
-
Vue.js
๐ Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
-
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
-
TensorFlow
An Open Source Machine Learning Framework for Everyone
-
Django
The Web framework for perfectionists with deadlines.
-
Laravel
A PHP framework for web artisans
-
D3
Bring data to life with SVG, Canvas and HTML. ๐๐๐
-
Recommend Topics
-
javascript
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
-
web
Some thing interesting about web. New door for the world.
-
server
A server is a program made to process requests and deliver data to clients.
-
Machine learning
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
-
Visualization
Some thing interesting about visualization, use data art
-
Game
Some thing interesting about game, make everyone happy.
Recommend Org
-
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
-
Microsoft
Open source projects and samples from Microsoft.
-
Google
Google โค๏ธ Open Source for everyone.
-
Alibaba
Alibaba Open Source for everyone
-
D3
Data-Driven Documents codes.
-
Tencent
China tencent open source team.
from nequip.