en the help file:
/usr/share/openmpi/help-mpi-api.txt: No such file or directory. Sorry!
From: Paolo Giannozzi
Sent: Tuesday, December 19, 2023 12:01 PM
To: Quantum ESPRESSO users Forum
Cc: Husak Michal
Subject: Re: [QE-users] libxc needed for this func
, 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
&g
or what
you see.
Michal Husak
From: chan yong keat
Sent: Sunday, December 17, 2023 8:53:50 AM
To: users@lists.quantum-espresso.org; Husak Michal
Subject: Re: [QE-users] libxc needed for this functional - QE bulid with libxc
Hi Mr Michal Husak,
I have pro
Paolo , you are right ...
It is required to add all 3 option in the ./configure to make the build correct
--with-libxc(yes|no) Use libXC for some XC functionals (default:
no)
--with-libxc-prefix=DIR Directory where libxc was installed.
--with-libxc-inc
>
> The final binary differs from the one build without libxc so the
> libxc linking was hopefully successful ...
it wasn't:
Error in routine set_dft_from_name (2):
> libxc needed for this functional
Paolo
--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ.
Hello,
I suggest you to have a look at section 2.6.1 of the user_guide (Doc
folder) and try the options suggested. If you still have troubles let me
know.
Cheers,
Fabrizio
On Wed, Dec 8, 2021 at 3:57 PM Michal Husak wrote:
> Hi
>
> I had successfully compiled libxc and than recompiled QE 6.8 w
Hi
I had successfully compiled libxc and than recompiled QE 6.8 with the
--with-libxc-include=\opt\etsf option of the ./configure
The final binary differs from the one build without libxc so the
libxc linking was hopefully successful ...
After requesting SCAN functional I sill get fol
