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

[Andrea Ferretti]

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