Using VASP on GPU System

Queries about input and output files, running specific calculations, etc.


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mohamed_mady82
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Using VASP on GPU System

#1 Post by mohamed_mady82 » Sat Nov 09, 2024 6:04 pm

Dear all,

Can we run VASP on the GPU system? if so, what is the recommended type of GPU?

Regards
Mohamed


henrique_miranda
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Re: Using VASP on GPU System

#2 Post by henrique_miranda » Mon Nov 11, 2024 10:24 am

Yes, it is possible to run VASP on GPUs.
With the current release, only NVIDIA GPUs are supported.
This will change in upcoming VASP releases with support for AMD and Intel GPUs.

For the details about the current VASP GPU port please take a look at this wiki page:
https://www.vasp.at/wiki/index.php/Open ... rt_of_VASP

If you have further questions, don't hesitate to ask!


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