Hi,i'm trying to get this project work,i run the command like like this:python diffcsp/run.py data=mp_20 expname=test
and i got this issue:
0%| | 1/27136 [00:10<75:41:45, 10.04s/it]G:\environment\Anaconda3\envs\DiffCSPpp\lib\site-packages\pymatgen\io\cif.py:1168: UserWarning: Issues encountered while parsing CIF: Some fractional coordinates rounded to ideal values to avoid issues with finite precision.
warnings.warn("Issues encountered while parsing CIF: " + "\n".join(self.warnings))
it was a warning and it still running,so i think it's ok for running,but when it get 100%,it still have issue,this is what i got:
100%|██████████| 27136/27136 [11:34<00:00, 39.10it/s]
I:\DiffCSP-PP-main\diffcsp\common\data_utils.py:1151: UserWarning: Creating a tensor from a list of numpy.ndarrays is extremely slow. Please consider converting the list to a single numpy.ndarray with numpy.array() before converting to a tensor. (Triggered internally at C:\actions-runner\_work\pytorch\pytorch\builder\windows\pytorch\torch\csrc\utils\tensor_new.cpp:277.)
targets = torch.tensor([d[key] for d in data_list])
I:\DiffCSP-PP-main\diffcsp\common\data_utils.py:1119: UserWarning: To copy construct from a tensor, it is recommended to use sourceTensor.clone().detach() or sourceTensor.clone().detach().requires_grad_(True), rather than torch.tensor(sourceTensor).
X = torch.tensor(X, dtype=torch.float)
[2024-06-20 18:32:39,865][hydra.utils][INFO] - Instantiating <diffcsp.pl_modules.diffusion.CSPDiffusion>
[2024-06-20 18:32:41,295][hydra.utils][INFO] - Passing scaler from datamodule to model <StandardScalerTorch(means: -1.219802737236023, stds: 1.0293837785720825)>
[2024-06-20 18:32:41,298][hydra.utils][INFO] - Adding callback <LearningRateMonitor>
[2024-06-20 18:32:41,298][hydra.utils][INFO] - Adding callback <EarlyStopping>
[2024-06-20 18:32:41,299][hydra.utils][INFO] - Adding callback <ModelCheckpoint>
[2024-06-20 18:32:41,301][hydra.utils][INFO] - Instantiating <WandbLogger>
Error executing job with overrides: ['data=mp_20', 'expname=test']
Traceback (most recent call last):
File "I:\DiffCSP-PP-main\diffcsp\run.py", line 178, in <module>
main()
File "G:\environment\Anaconda3\envs\DiffCSPpp\lib\site-packages\hydra\main.py", line 49, in decorated_main
_run_hydra(
File "G:\environment\Anaconda3\envs\DiffCSPpp\lib\site-packages\hydra\_internal\utils.py", line 367, in _run_hydra
run_and_report(
File "G:\environment\Anaconda3\envs\DiffCSPpp\lib\site-packages\hydra\_internal\utils.py", line 214, in run_and_report
raise ex
File "G:\environment\Anaconda3\envs\DiffCSPpp\lib\site-packages\hydra\_internal\utils.py", line 211, in run_and_report
return func()
File "G:\environment\Anaconda3\envs\DiffCSPpp\lib\site-packages\hydra\_internal\utils.py", line 368, in <lambda>
lambda: hydra.run(
File "G:\environment\Anaconda3\envs\DiffCSPpp\lib\site-packages\hydra\_internal\hydra.py", line 110, in run
_ = ret.return_value
File "G:\environment\Anaconda3\envs\DiffCSPpp\lib\site-packages\hydra\core\utils.py", line 233, in return_value
raise self._return_value
File "G:\environment\Anaconda3\envs\DiffCSPpp\lib\site-packages\hydra\core\utils.py", line 160, in run_job
ret.return_value = task_function(task_cfg)
File "I:\DiffCSP-PP-main\diffcsp\run.py", line 174, in main
run(cfg)
File "I:\DiffCSP-PP-main\diffcsp\run.py", line 124, in run
settings=wandb.Settings(start_method="fork"),
File "G:\environment\Anaconda3\envs\DiffCSPpp\lib\site-packages\wandb\sdk\wandb_settings.py", line 1345, in __init__
self.update({prop: kwargs[prop]}, source=source)
File "G:\environment\Anaconda3\envs\DiffCSPpp\lib\site-packages\wandb\sdk\wandb_settings.py", line 1482, in update
self.__dict__[key].update(settings.pop(key), source=source)
File "G:\environment\Anaconda3\envs\DiffCSPpp\lib\site-packages\wandb\sdk\wandb_settings.py", line 591, in update
self._value = self._validate(self._preprocess(value))
File "G:\environment\Anaconda3\envs\DiffCSPpp\lib\site-packages\wandb\sdk\wandb_settings.py", line 561, in _validate
if not v(value):
File "G:\environment\Anaconda3\envs\DiffCSPpp\lib\site-packages\wandb\sdk\wandb_settings.py", line 1008, in _validate_start_method
raise UsageError(
wandb.errors.UsageError: Settings field `start_method`: 'fork' not in ['thread', 'spawn']
i think the main problem is the enironment,so i wonder if i can have the requirements.txt or the pip list to build the same environment like the project.
Hi,i'm trying to get this project work,i run the command like like this:
python diffcsp/run.py data=mp_20 expname=testand i got this issue:
it was a warning and it still running,so i think it's ok for running,but when it get 100%,it still have issue,this is what i got:
i think the main problem is the enironment,so i wonder if i can have the
requirements.txtor thepip listto build the same environment like the project.and this is my environment: