Re: [QE-users] [QE-GPU] Disable GPU acceleration for some calculations
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-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 -- 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 ___ 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
Re: [QE-users] [QE-GPU] Disable GPU acceleration for some calculations
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%2FDevelopers%2FCMake-build-system=dXNlcnNAbGlzdHMucXVhbnR1bS1lc3ByZXNzby5vcmc%3D) as they can easily share the same source code directory Dr. Lorenzo Paulatto IdR @ IMPMC - CNRS UMR 7590 & Sorbonne Université phone: +33 (0)1 442 79822 / skype: paulatz http://www.impmc.upmc.fr/~paulatto/ (https://link.getmailspring.com/link/49889bcf-baf9-46a0-a827-a3635d377...@getmailspring.com/1?redirect=http%3A%2F%2Fwww.impmc.upmc.fr%2F~paulatto%2F=dXNlcnNAbGlzdHMucXVhbnR1bS1lc3ByZXNzby5vcmc%3D) - https://anharmonic.github.io/ (https://link.getmailspring.com/link/49889bcf-baf9-46a0-a827-a3635d377...@getmailspring.com/2?redirect=https%3A%2F%2Fanharmonic.github.io%2F=dXNlcnNAbGlzdHMucXVhbnR1bS1lc3ByZXNzby5vcmc%3D) 23-24/423 B115, 4 place Jussieu 75252 Paris CX 05 On Nov 28 2021, at 3:20 pm, Oliver Generalao 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 (mailto: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 > > (http://www.max-centre.eu)) > > users mailing list users@lists.quantum-espresso.org > > (mailto: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 ___ 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
Re: [QE-users] [QE-GPU] Disable GPU acceleration for some calculations
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 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: > >> 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 ___ 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
Re: [QE-users] [QE-GPU] Disable GPU acceleration for some calculations
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: > 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
