[QE-developers] [QE-GPU] QE on amd GPU

[Anton Kozhevnikov]

Thanks, Andrea!

Yuvam: we are waiting for the AMD-enabled eigen solver. Once this is done,
we can run on AMD cards. But we are developing for Linux/unix environment.
We have zero experience of running on windows.

With kind regards,
Anton.

On Wed, May 27, 2020 at 6:45 PM Andrea Ferretti <andrea.ferretti at nano.cnr.it>
wrote:

>
>
> Dear Yuvam,
>
> as far as I know, the QE-SIRIUS software (QE front-end, SIRIUS back-end)
> supports both NVIDIA and AMD gpus. Don't know much about the exact list of
> features supported, but I am pretty confident that the basic DFT ones are.
>
> take care
> Andrea
>
> > Thank you for the information.Do you happen to know by any chance about
> > any other DFT software which I can run with GPU acceleration using my
> > amd gpu?
> >
> > On Wed, 27 May 2020, 8:58 pm Ye Luo, <xw111luoye at gmail.com> wrote:
> >       Unfortunately a short answer is no, you cannot use AMD GPUs.
> >       I don't know the official QE plan for AMD GPUs but so far only
> Nvidia GPUs are supported.
> >
> > In addition, AMD software stack for HPC is ROCm. It has official support
> for neither windows nor MacOS.
> > Ye
> > ===================
> > Ye Luo, Ph.D.
> > Computational Science Division & Leadership Computing Facility
> > Argonne National Laboratory
> >
> >
> > On Wed, May 27, 2020 at 10:19 AM Yuvam Bhateja <yuvamb16 at gmail.com>
> wrote:
> >       Hey,I want to know if you can compile Quantum ESPRESSO over amd
> professor which uses OpenCL I think.
> > I wish to accelerate my calculations using GPU but I've amd gpu with
> windows OS.
> >
> > Can anyone help?
> >
> > Regards
> > Yuvam Bhateja
> >
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> >
> >
>
> --
> Andrea Ferretti, PhD
> S3 Center, Istituto Nanoscienze, CNR
> via Campi 213/A, 41125, Modena, Italy
> Tel: +39 059 2055322;  Skype: andrea_ferretti
> URL: http://www.nano.cnr.it_______________________________________________
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