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
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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
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chanaprom_cholsuk1
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#3
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by chanaprom_cholsuk1 » Mon Jul 14, 2025 4:29 pm
Dear Alexey,
Thank you for the information. Would it be possible for you to somehow estimate when it will support Intel GPUs?
Best regards,
Chanaprom
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alexey.tal
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#4
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by alexey.tal » Fri Jul 18, 2025 1:11 pm
The plan right now is to make it available by the end of the year. However, the support of Intel GPUs in VASP to a large extent depends on the compiler development and this is not in our control. So, unfortunately, we cannot promise that this timeline will be met but we are very actively working on it.