[QE-users] Error when configuring Quantum Espresso with LibXC

[Jing Lian Ng]

Hello all,

I have been struggling the past weeks to configure Quantum Espresso with
LibXC and Environ. While configuring QE alone with Environ is fine, but
with LibXC I always got an error: 'Could not find required libxc library'.
I came across a similar post on the forum (
https://lists.quantum-espresso.org/pipermail/users/2022-September/049411.html)
and tried using the same compiler for both LibXC and QE, but same error
still arises. I have also tried an alternative path to link to libxc by
adding flags to the make.inc file but it fails too. I am currently using
LibXC 6.0 and QE7.1, and below are the command lines I used to configure
libxc and QE. Attached below is a screenshot of the error during
configuration. I am new to the linux system and not sure which part went
wrong, any help would be appreciated.

LibXC configuration
#########
CC=icc F90=ifort MPIF90=mpiifort ./configure
--prefix=/work/09164/jinglian/stampede2/opt/libxc-6.0.0
make
make check
make install

QE configuration
###########
./configure --with-environ=/work/09164/jinglian/stampede2/Environ/
--with-libxc
--with-libxc-prefix=/work/09164/jinglian/stampede2/opt/libxc-6.0.0/

Snapshot of the error message:
https://drive.google.com/file/d/18m-UPt6JyYS8Y-nLDBQ1r0-8oviL-h6u/view?usp=sharing

Thanks,
Jing Lian Ng
Graduate student at CHE, University of Texas at Austin
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