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

[Ye Luo]

My knowledge of other DFT packages are still very limited. I'm not aware.
In addition, DFT packages using GPU require decent double precision
performance regardless of vendors.
It is not worth trying gaming cards.
Ye
===================
Ye Luo, Ph.D.
Computational Science Division & Leadership Computing Facility
Argonne National Laboratory


On Wed, May 27, 2020 at 10:35 AM Yuvam Bhateja <yuvamb16 at gmail.com> wrote:

> 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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