Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.
Moderators: Global Moderator, Moderator
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chanaprom_cholsuk1
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#1
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by chanaprom_cholsuk1 » Mon Jul 07, 2025 7:06 pm
Dear admin,
I would like to inquire about the current status of GPU support in VASP. According to the documentation (https://www.vasp.at/wiki/index.php/Open ... rt_of_VASP), versions later than 6.3.0 provide GPU acceleration exclusively via the OpenACC port and support only NVIDIA GPUs. Could you please confirm whether this limitation remains unchanged in VASP 6.4 and 6.5? Additionally, are there any planned updates or alternative GPU-acceleration options, such as support for AMD GPUs or different programming models, under consideration?
Thank you in advance for your clarification.
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alexey.tal
- Global Moderator
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#2
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by alexey.tal » Tue Jul 08, 2025 8:52 am
Dear chanaprom_cholsuk1,
Thank you for your question.
At the moment only NVIDIA GPUs are supported in VASP 6.5.1. This will change in upcoming VASP releases with support for AMD and Intel GPUs.
Best wishes,
Alexey