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

[Paolo Giannozzi]

There is an environment variable USEGPU that may (or may not) do what you
want:
$ export USEGPU=no
or
$ setenv USEGPU no

Paolo

On Sun, Nov 28, 2021 at 3:10 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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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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