jiaor17 / DiffCSP

[NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"
MIT License
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got some trouble with training a model #11

Open 0546trigger opened 4 months ago

0546trigger commented 4 months ago

While i tried to follow the guide using 'python diffcsp/run.py data=mp_20 expname=test2' to train a model ,i got errors as fllow:

Traceback (most recent call last): File “”, line 1, in File “C:\Users\Admin\, conda\envs\dificsp1\lib\si te-packages\miltiprocess\spavn. py”, line 116, in spawn_main exitcode = _main(fd, parent_sentinel) File “C:\Users\Admin\, conda\envs\di ffcsp1\lib\site-packages\miltiprocess\spamn. py”, line 125, in _main prepare (preparation_data) File “C:\Users\Admin. conda\envs\diffosp1\1ib\site-packages\mil tiprocess\spamn. py”, line 236, in prepare —fixup_main_from_path(datal’ init_main_from path’ ]) File “C:\Users\Admin. conda\envs\diffcsp1\1ib\site-packages\mil tiprocess\spamn. py”, line 287, in _fixup_main_from patl main_content = runpy.run_path(main_path, File “C:\Users\Admin. conda\envs\diffcsp1\lib\runpy. py”, line 264, in run_path code, fname = _get_code_from file(run_name, path_name) File “C:\Users\Admin. conda\envs\diffcsp1\lib\runpy. py’, line 234, in _get_code_from_file with io. open_code(decoded_path) as f: FileNotFoundError: [Errno 2] No such file or directory: ’D:\xyli\DiffCSP-main\hydra\singlerun\2024-03-20\test2\ \dil ficsp\run. py

Whats more when i tried to train the ab initio model also get the same error.

Here is my .env file:

export PROJECT_ROOT="D:\xyli\DiffCSP-main" export HYDRA_JOBS="D:\xyli\DiffCSP-main\hydra" export WABDB_DIR="D:\xyli\DiffCSP-main\wabdb"

Is this problem caused by the windows10 environment?

0546trigger commented 4 months ago

And this error can repeat rapidly in the cmd window, it's kind of scary lol.

0546trigger commented 4 months ago

okey, it finally worked when i changed the environment into ubuntu.