Dear Giovani, what you write is correct, the last release of the GPU version of pw.x does not include acceleration for the Hartree-Fock part.
There is however a working version available for you to try in a separate development branch at this address: https://gitlab.com/QEF/q-e-gpu/tree/gpu-exx This will eventually be merged and made available in the next release of the GPU code. Kind regards, Pietro Bonfa' On 6/22/19 1:12 AM, Giovani Rech wrote: > Dear QE community, > > I’ve been testing the GPU accelerated version of QE using a hybrid functional > (pbe0 and vdw-df-c090, to be exact, pun intended) and noticed that the use of > the GPUs are virtually zero while the Hartree-Fock part is being calculated. > This brings me to conclude that the the exact exchange calculation is not yet > implemented for GPU. Can anyone confirm this info? I’ve not been able to find > this information in the readmes or release notes. > > Thank you, > > Giovani Rech > Universidade de Caxias do Sul > Caxias do Sul - RS, Brasil > _______________________________________________ > 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
