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.


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.

Thanks!
Hi, I set
"use_cuda": Truein 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.


I also tried to add

--use_cuda=Trueas 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 theuse_cudacommand.Thanks!