<div dir="ltr"><div class="gmail_default" style="font-family:trebuchet ms,sans-serif;font-size:small">Dear Pietro,</div><div class="gmail_default" style="font-family:trebuchet ms,sans-serif;font-size:small"><br></div><div class="gmail_default" style="font-family:trebuchet ms,sans-serif;font-size:small">Thank you very much for your help. I'll try this branch as soon as possible. I believe that the version available in the link has all the functionalities of the last stable release plus the GPU accelerated EXX, is this the case? </div><div class="gmail_default" style="font-family:trebuchet ms,sans-serif;font-size:small"><br></div><div class="gmail_default" style="font-family:trebuchet ms,sans-serif;font-size:small">Thanks again,</div><div class="gmail_default" style="font-family:trebuchet ms,sans-serif;font-size:small">Giovani Rech</div><div class="gmail_default" style="font-family:trebuchet ms,sans-serif;font-size:small">Universidade de Caxias do Sul,</div><div class="gmail_default" style="font-family:trebuchet ms,sans-serif;font-size:small">Caxias do Sul-RS, Brazil</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sat, Jun 22, 2019 at 8:27 AM Pietro BONFA' <<a href="mailto:pietro.bonfa@unipr.it">pietro.bonfa@unipr.it</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Dear Giovani,<br>
<br>
what you write is correct, the last release of the GPU version of pw.x<br>
does not include acceleration for the Hartree-Fock part.<br>
<br>
There is however a working version available for you to try in a<br>
separate development branch at this address:<br>
<br>
<a href="https://gitlab.com/QEF/q-e-gpu/tree/gpu-exx" rel="noreferrer" target="_blank">https://gitlab.com/QEF/q-e-gpu/tree/gpu-exx</a><br>
<br>
This will eventually be merged and made available in the next release of<br>
the GPU code.<br>
<br>
Kind regards,<br>
Pietro Bonfa'<br>
<br>
<br>
On 6/22/19 1:12 AM, Giovani Rech wrote:<br>
> Dear QE community,<br>
><br>
> 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.<br>
><br>
> Thank you,<br>
><br>
> Giovani Rech<br>
> Universidade de Caxias do Sul<br>
> Caxias do Sul - RS, Brasil<br>
> _______________________________________________<br>
> Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu/quantum-espresso" rel="noreferrer" target="_blank">www.max-centre.eu/quantum-espresso</a>)<br>
> users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
> <a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a><br>
><br>
<br>
<br>
--<br>
Pietro Bonfà<br>
Department of Mathematical, Physical and Computer Sciences,<br>
University of Parma,<br>
Italy<br>
<br>
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.<br>
_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu/quantum-espresso" rel="noreferrer" target="_blank">www.max-centre.eu/quantum-espresso</a>)<br>
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div>