schnarc / SchNarc

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NetCDF: Not a valid ID; when running schnarc_md.py in Tutorial #8

Open MatthijsHak opened 1 year ago

MatthijsHak commented 1 year ago

Dear developers,

I am experiencing the same problem as another issue. After correctly compiling sharc, pysharc and schnarc(1.0), I tried to run in the Tutorial as a test the following file:

~/schnarc/Tutorial/4_Dynamics/withHessianApprox/TRAJ_1/run.sh

Sharc seems to run fine, as I get the normal output. However, I receive the following error message in the NN.err file:

/home/mhakkennes/.local/lib/python3.9/site-packages/torch/serialization.py:888: SourceChangeWarning: source code of class 'schnarc.model.MultiNac' has changed. you can retrieve the original source code by accessing the object's source attribute or set `torch.nn.Module.dump_patches = True` and use the patch tool to revert the changes.
  warnings.warn(msg, SourceChangeWarning) (repeated multiple times)
NetCDF: Not a valid ID 

Could you please help me out?