Dear Jing, which GPU-enabled version are you using? GPU support starting from v6.1 is only available when using PGI compilers (well, in principle, any compiler implementing CUDA Fortran).
You can find additional information here: https://gitlab.com/QEF/q-e-gpu/wikis/home Kinds regards, Pietro Bonfa' On 7/8/19 5:01 PM, JING YANG wrote: > Hi, > I am trying to test the scaling of GPU version of QE recently. I > found out the computational time scaling of the GPU version is very bad. > Is there any unique flags or keywords I don't know about the GPU > version? I am using gcc-6.2.0, openmpi-1/8/4, craype-accel-nvidia35. I > know it is not the recommended set up, but I guess if I can compile it > successfully, then it should work normally. > > Thanks, > Jing > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users > -- Pietro Bonfà Department of Mathematical, Physical and Computer Sciences, University of Parma, Italy Firma il tuo 5 per mille all’Università di Parma e aiuta così i nostri studenti che vogliono realizzare un’esperienza di studio all’estero - Indica 00308780345 nella tua denuncia dei redditi. _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
