jiaor17 / DiffCSP

[NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"
MIT License
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hydra.errors.InstantiationException: Error locating target 'diffcsp.pl_data.datamodule.CrystDataModule', set env var HYDRA_FULL_ERROR=1 to see chained exception. full_key: data.datamodule #14

Open yuuhaixia opened 4 months ago

yuuhaixia commented 4 months ago

Thank you very much for your contribution, do you know how to fix the following error?

/data/run01/scw6cse/DiffCSP-main/diffcsp/run.py:172: UserWarning: The version_base parameter is not specified. Please specify a compatability version level, or None. Will assume defaults for version 1.1 @hydra.main(config_path=str(PROJECT_ROOT / "conf"), config_name="default") /HOME/scw6cse/.conda/envs/py311/lib/python3.11/site-packages/hydra/_internal/defaults_list.py:251: UserWarning: In 'default': Defaults list is missing _self_. See https://hydra.cc/docs/1.2/upgrades/1.0_to_1.1/default_composition_order for more information warnings.warn(msg, UserWarning) /HOME/scw6cse/.conda/envs/py311/lib/python3.11/site-packages/hydra/_internal/hydra.py:119: UserWarning: Future Hydra versions will no longer change working directory at job runtime by default. See https://hydra.cc/docs/1.2/upgrades/1.1_to_1.2/changes_to_job_working_dir/ for more information. ret = run_job( [rank: 0] Seed set to 42 [2024-05-14 10:07:24,302][hydra.utils][INFO] - Instantiating Error executing job with overrides: ['data=mp_20', 'expname=mp_20_result']


run.py 178 main()

main.py 94 decorated_main _run_hydra(

utils.py 394 _run_hydra _run_app(

utils.py 457 _run_app run_and_report(

utils.py 223 run_and_report raise ex

utils.py 220 run_and_report return func()

utils.py 458 lambda: hydra.run(

hydra.py 132 run _ = ret.return_value

utils.py 260 return_value raise self._return_value

utils.py 186 run_job ret.return_value = task_function(task_cfg)

run.py 174 main run(cfg)

run.py 93 run datamodule: pl.LightningDataModule = hydra.utils.instantiate(

_instantiate2.py 226 instantiate return instantiate_node(

_instantiate2.py 333 instantiate_node target = _resolve_target(node.get(_Keys.TARGET), full_key)

_instantiate2.py 139 _resolve_target raise InstantiationException(msg) from e

hydra.errors.InstantiationException: Error locating target 'diffcsp.pl_data.datamodule.CrystDataModule', set env var HYDRA_FULL_ERROR=1 to see chained exception. full_key: data.datamodule

Here is my environment:

aiohttp 3.9.5 aiosignal 1.3.1 antlr4-python3-runtime 4.9.3 ase 3.22.1 attrs 23.2.0 certifi 2024.2.2 charset-normalizer 3.3.2 click 8.1.7 cmake 3.29.3 colorama 0.4.6 contourpy 1.2.1 cycler 0.12.1 dill 0.3.8 docker-pycreds 0.4.0 filelock 3.14.0 fonttools 4.51.0 frozenlist 1.4.1 fsspec 2024.3.1 future 0.18.3 gitdb 4.0.11 GitPython 3.1.43 hydra-core 1.3.2 idna 3.7 Jinja2 3.1.4 joblib 1.3.2 kiwisolver 1.4.5 latexcodec 2.0.1 lightning-utilities 0.11.2 lit 18.1.4 MarkupSafe 2.1.5 matplotlib 3.8.4 monty 2023.11.3 mpmath 1.3.0 multidict 6.0.5 multiprocess 0.70.16 networkx 3.1 numpy 1.26.4 nvidia-cublas-cu11 11.10.3.66 nvidia-cuda-cupti-cu11 11.7.101 nvidia-cuda-nvrtc-cu11 11.7.99 nvidia-cuda-runtime-cu11 11.7.99 nvidia-cudnn-cu11 8.5.0.96 nvidia-cufft-cu11 10.9.0.58 nvidia-curand-cu11 10.2.10.91 nvidia-cusolver-cu11 11.4.0.1 nvidia-cusparse-cu11 11.7.4.91 nvidia-nccl-cu11 2.14.3 nvidia-nvtx-cu11 11.7.91 omegaconf 2.3.0 p-tqdm 1.4.0 packaging 24.0 palettable 3.3.3 pandas 2.2.2 pathos 0.3.2 Pillow 10.0.1 pip 24.0 platformdirs 4.2.1 plotly 5.18.0 pox 0.3.4 ppft 1.7.6.8 pretty-errors 1.2.25 protobuf 4.25.3 psutil 5.9.6 pybtex 0.24.0 pymatgen 2023.11.12 pyparsing 3.1.2 python-dateutil 2.9.0.post0 python-dotenv 1.0.1 pytorch-lightning 2.2.4 pytz 2024.1 PyYAML 6.0.1 requests 2.31.0 ruamel.yaml 0.18.6 ruamel.yaml.clib 0.2.8 scikit-learn 1.3.2 scipy 1.13.0 sentry-sdk 2.1.1 setproctitle 1.3.3 setuptools 68.0.0 six 1.16.0 SMACT 2.5.4 smmap 5.0.1 spglib 2.1.0 sympy 1.12 tabulate 0.9.0 tenacity 8.2.3 threadpoolctl 3.2.0 torch 2.0.0 torch-cluster 1.6.3+pt20cu118 torch_geometric 2.4.0 torch-scatter 2.1.2+pt20cu118 torch-sparse 0.6.18+pt20cu118 torch-spline-conv 1.2.2+pt20cu118 torchaudio 2.0.1 torchmetrics 1.4.0 torchvision 0.15.1 tqdm 4.66.1 triton 2.0.0 typing_extensions 4.11.0 tzdata 2024.1 uncertainties 3.1.7 urllib3 2.2.1 wandb 0.17.0 wheel 0.43.0 yarl 1.9.4

oridwan commented 2 months ago

@yuuhaixia @jiaor17 have you solved it? I am facing the sam problem

mzj-ustc commented 4 weeks ago

me too. Have you solved this problem?