propagate() got an unexpected keyword argument 'distance'

[Dengsongquanch]

When I run the run.sh in 3_train in example, there occurs the error below:
Traceback (most recent call last):
File "/public/home/yika/miniforge3/envs/deepH3/bin/deeph-train", line 8, in
sys.exit(main())
File "/public/home/yika/miniforge3/envs/deepH3/lib/python3.9/site-packages/deeph/scripts/train.py", line 20, in main
kernel.train(train_loader, val_loader, test_loader)
File "/public/home/yika/miniforge3/envs/deepH3/lib/python3.9/site-packages/deeph/kernel.py", line 513, in train
train_losses = self.kernel_fn(train_loader, 'TRAIN')
File "/public/home/yika/miniforge3/envs/deepH3/lib/python3.9/site-packages/deeph/kernel.py", line 658, in kernel_fn
output = self.model(
File "/public/home/yika/miniforge3/envs/deepH3/lib/python3.9/site-packages/torch/nn/modules/module.py", line 1130, in _call_impl
return forward_call(*input, **kwargs)
File "/public/home/yika/miniforge3/envs/deepH3/lib/python3.9/site-packages/deeph/model.py", line 633, in forward
atom_fea, edge_fea = self.mp1(atom_fea0, edge_idx, edge_fea0, batch, distance, edge_vec)
File "/public/home/yika/miniforge3/envs/deepH3/lib/python3.9/site-packages/torch/nn/modules/module.py", line 1130, in _call_impl
return forward_call(*input, **kwargs)
File "/public/home/yika/miniforge3/envs/deepH3/lib/python3.9/site-packages/deeph/model.py", line 406, in forward
atom_fea = self.cgconv(atom_fea, edge_idx, edge_fea, batch, distance)
File "/public/home/yika/miniforge3/envs/deepH3/lib/python3.9/site-packages/torch/nn/modules/module.py", line 1130, in _call_impl
return forward_call(*input, **kwargs)
File "/public/home/yika/miniforge3/envs/deepH3/lib/python3.9/site-packages/deeph/model.py", line 145, in forward
out = self.propagate(edge_index, x=x, edge_attr=edge_attr, distance=distance, size=size)
TypeError: propagate() got an unexpected keyword argument 'distance'

the version of my pyg is 2.6.1,should I make it lower than 2.6.1?

[mzjb]

Please consider using the package versions specified in the README (https://github.com/mzjb/DeepH-pack?tab=readme-ov-file#python).

[Dengsongquanch]

Please consider using the package versions specified in the README (https://github.com/mzjb/DeepH-pack?tab=readme-ov-file#python).

thank you. However, on our computer cluster, cuda is version 11.8, and pytorch1.9.1 can only find cuda11.1. Can a higher version of cuda be compatible with a lower version of pytorch?

[mzjb]

Yes, a higher system CUDA version (like 11.8) can be compatible with a lower version of PyTorch (like 1.9.1 with CUDA 11.1), as PyTorch typically uses its own built-in CUDA libraries.