[QE-users] [QE-GPU] Disable GPU acceleration for some calculations

[Filippo Spiga]

This advice is still valid: build one version with GPU support and one
without.

For what type of pw.x calculations (and why) you do not want to use GPU?

--
Filippo SPIGA ~ http://fspiga.github.io ~ skype: filippo.spiga


On Sun, 28 Nov 2021 at 14:21, Oliver Generalao <oliver.b.generalao at gmail.com>
wrote:

> Hi,
> Just to share.
> I had a similar situation years ago (2016-2017) where I had to do
> benchmarking with and without a GPU. I had to compile two versions of
> PWsfc, *pw.x* and *pw-gpu.x*. I am not sure if they had changed a lot
> since then.
>
>
> On Sun, Nov 28, 2021 at 10:10 PM Anson Thomas <thomasanson53 at gmail.com>
> wrote:
>
>> Dear QE experts,
>>
>> I have installed QE 6.8 with GPU acceleration (Ubuntu 18.04.5 LTS
>> (GNU/Linux 4.15.0-135-generic x86_64, Processor: Intel Xeon Gold 5120 CPU
>> 2.20 GHz (2 Processor) RAM: 96 GB Graphics Card: NVIDIA Quadro P5000 (16
>> GB)).
>> For some pw.x calculations, however, I desire to not use the GPU
>> acceleration. Is there a way (some command-line option, or adding lines to
>> bashrc or some other way) to not use GPU acceleration for a particular
>> calculation without recompiling QE?
>>
>> --
>> *Anson Thomas*
>> M.Sc. Chemistry, IIT Roorkee
>>
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