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

[Husak Michal]

I believe I  had reported during last two years the issue at least 2x in this mailing list ... With no response from the community ...

All QE users of our national supercomputer must use QE 6.4 as the last build working OK with MPI ...


I will give a detailed report how to reproduce the same issue by 2 different compilers on 2 different OS:

gnu on Linux

ifort on Linux

gnu on Windows (both msys2 and cygwin enviroment, )

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 ...


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
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