Re: [QE-users] Compiling QE 6.6 with libxc 5.0.0

2020-11-10 Thread Fabrizio Ferrari
Hello, f03 works for libxc 4.3.4 and should work for the upcoming releases, but not for v5.0.0. Please see section 2.5.1 of the 'user_guide' in Doc folder on how to compile QE with v5.0.0 (especially the note for v5.0.0). Cheers, Fabrizio On Tue, Nov 10, 2020 at 10:03 AM Christoph Wolf wrote: >

[QE-users] Compiling QE 6.6 with libxc 5.0.0

2020-11-10 Thread Christoph Wolf
Dear all, I am having some troubles compiling QE with libxc. I compiled libxc and it ran a make check without issues. Then I run a ./configure without flags in QE and change the make.inc as follows: DFLAGS = -D__DFTI -D__MPI -D__SCALAPACK -Duse_beef* -D__LIBXC* IFLAGS = -I$(TOPD