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 <[email protected]> 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 [email protected] > 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 [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
