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

questions related to VASP with GPU support (vasp.5.4.1, version released in Feb 2016)

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

#1 Post by martin_gumbau » Tue Jul 27, 2021 9:08 am

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

#2 Post by marie-therese.huebsch » Wed Jul 28, 2021 2:50 am

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

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