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

2021-11-29 Thread 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 wrote: > Dear QE experts, > > I have installed QE 6.8 with GPU acceleration (Ubuntu 18.04.5 LTS > (GNU/Linux 4.15.0-135-gen

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

2021-11-29 Thread Lorenzo Paulatto
Having two binaries is slightly less annoying if you use the cmake build system https://gitlab.com/QEF/q-e/-/wikis/Developers/CMake-build-system (https://link.getmailspring.com/link/49889bcf-baf9-46a0-a827-a3635d377...@getmailspring.com/0?redirect=https%3A%2F%2Fgitlab.com%2FQEF%2Fq-e%2F-%2Fwikis%2

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

2021-11-29 Thread 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 wrote: > Hi, > Just to shar

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

2021-11-28 Thread 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 wrote: > Dea

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

2021-11-28 Thread 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 G