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Disable VMD GPU use

posted Jul 13, 2016, 9:21 AM by Danny Xu   [ updated Jul 15, 2016, 1:13 PM ]
You must set the CUDA-related environment variables in your shell prior to launching VMD.

In the case of Unix systems, you'd do this:
/bin/csh syntax:
setenv VMDNOCUDA 1


/bin/bash syntax:
export VMDNOCUDA=1    (only make VMD a G-type job, not competing for compute mode)

export VMDCUDANODISPLAYGPUS=1 (one C + one G, not suitable for exclusive process purpose)

On Microsoft Windows you'd need to do this in the system environment
variables control in the advanced properties tab for the system settings
This corresponds to "Type" field in the nvidia-smi output

Displayed as "C" for Compute Process, "G" for Graphics Process, and "C+G" for the process having both Compute and Graphics contexts.