VASP 6.2 - MultiGPU node - set one rank per specific GPU

[martin_gumbau]

I have a node with more than one GPU inside (GPU-0, GPU-1, GPU-2).
I want to tell one or more specific CPU for my calculation.
For instance:
- 1st calculation with 2 ranks on GPU-0 + GPU-3
- 2nd calculation with 1 rank on GPU-1
Are there Keywords to allow me this?



Thanks in advance.

[marie-therese.huebsch]

Hi martin_gumbau,

There are no special VASP tags to do this, but you can use the environment variable CUDA_VISIBLE_DEVICES to specify the devices used for a particular calculation. I hope this serves as a good starting point!

Best regards,
Marie-Therese