[QE-users] libxc needed for this functional - QE bulid with libxc

[Lorenzo Paulatto]

> gnu on Linux
>
> ifort on Linux


I've used both these configurations with any version of qe since at 
least 3.0 and up to the current git version.  Using intel mpi and/or 
openmpi, on my desktop PC, and three or four different computing 
centers. With no particular issues.

> with different MPI implementation ...
>
>
> I had just recently checked, the issue was not handled in 7.2 source code ....
>
>
> QE simply compiles OK and than crashes during any MPI run (as well as in MP run) ...
>
> Only single threads builds works OK ...
Using QE is not compulsory, but let's try to keep the noise/signal ratio 
to a reasonable amount.

kind regards


>
>
> I can write the crash report with details at the begging of the next year (out of office for next 2 weeks) ....
>
>
> Michal Husak
>
> UCT Prague
>
>
>
> ________________________________
> From: Paolo Giannozzi<paolo.giannozzi at uniud.it>
> Sent: Tuesday, December 19, 2023 12:01 PM
> To: Quantum ESPRESSO users Forum
> Cc: Husak Michal
> Subject: Re: [QE-users] libxc needed for this functional - QE bulid with libxc
>
> On 12/17/23 10:16, Husak Michal via users wrote:
>
>> We had de-facto stopped QE usage, because from the version 7.0 QE support for MPI parallelization is non functional
> funny: nobody else has reported that QE hasn't been working on parallel
> machines since two years
>
> P.
> --
> Paolo Giannozzi, DMIF, Univ. Udine, Italy
> *** AVAILABLE POST-DOC POSITION:
> ***https://physicslab.uniud.it/persone/paolo-giannozzi/advert
> _______________________________________________
> The Quantum ESPRESSO community stands by the Ukrainian
> people and expresses its concerns about the devastating
> effects that the Russian military offensive has on their
> country and on the free and peaceful scientific, cultural,
> and economic cooperation amongst peoples
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing listusers at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
-- 
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://anharmonic.github.io/
23-24/423 B115, 4 place Jussieu 75252 Paris CX 05
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20231219/e29ca98f/attachment.html>