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use_cuda set to True in config file, but model runs on CPU #20

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@LiuCMU

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@LiuCMU

Hi, I set "use_cuda": True in my configure file, but openchem only uses cpus when running on our cluster.

The following two screen shot are my configure file and output in the terminal.
image (3)
image (4)

I also tried to add --use_cuda=True as a flag to the bash command. From the terminal output, it seems that openchem knows to use cuda. But the machine has a problem in recognizing the use_cuda command.
image (5)

Thanks!

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