[QE-users] CUDA-compiled version of Quantum Espresso

Paolo Giannozzi p.giannozzi at gmail.com
Wed Jun 23 09:22:59 CEST 2021


On Sun, Jun 20, 2021 at 5:29 PM Chiara Biz <chiara.biz at magnetocat.com>
wrote:

>
> we would like to compile the GPU-QE since we learnt that is faster for
> spin-polarzed wavefunctions.
> We would like to ask you which NVIDIA architecture is supported by QE:
> Maxwell, Pascal, Turing, Ampere?
>

QE does not "support" specific architectures: it uses CUDA Fortran (and
soon OpenACC) to run on NVIDIA GPU's. As far as I know it works on all
recent (and also not-so-recent) GPUs.

Can QE support SLY?
>

What is that?

Paolo

These are crucial aspects for us because they will determine our choices on
> the market.
>
> Thank you very much for your attention and have a nice day.
>
> Yours Sincerely,
> Chiara Biz (MagnetoCat SL/SpinCat consortium)
>
> _______________________________________________
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> users mailing list users at lists.quantum-espresso.org
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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