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

[Anson Thomas]

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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