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.genera...@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 <thomasanso...@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 >> >> _______________________________________________ >> Quantum ESPRESSO is supported by MaX (www.max-centre.eu) >> users mailing list users@lists.quantum-espresso.org >> https://lists.quantum-espresso.org/mailman/listinfo/users > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users
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