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

[Oliver Generalao]

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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