DouBaBa ProtMD install on ubuntu

meatball1982

Install ProtMD on ubuntu
https://github.com/smiles724/ProtMD

Create an env using Conda
as the github, there will "Torch not compiled with CUDA enabled" error.
It costs me almost two days.

1. conda create -n ProMD python=3.9.10
   
2. conda install cudatoolkit=11.3 pytorch==1.10.0 torchvision==0.11.0 torchaudio==0.10.0 -c pytorch -c conda-forge

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https://pytorch.org/get-started/previous-versions/


Error：
Torch not compiled with CUDA enabled

Possible solution：
https://discuss.pytorch.org/t/to ... da-enabled/112467/5
https://github.com/pytorch/pytorch/issues/30664


a test python script

1. import torch  
   
2. 
   
3. 
   
4. device=torch.device('cuda:0')
   
5. if device.type != "cpu":
   
6.    print("GPU,&&&&")
   
7. else:
   
8.    print("CPU,&&&&")
   
9. 
   
10. print(torch.__version__)
    
11. print(torch.version.cuda)
    
12. print(torch.cuda.is_available())

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