[QE-users] weird errors when linking with libxc

[Michal Krompiec]

Hello, I compiled QE 6.4rc using Intel 2018 (with MPI and MKL), with and
without external libxc (built with the same compilers, using either
xconfigure recipe or the supplied configure).
Without libxc, the tests pass without any problems, but with libxc, at
least some pw_atom tests fail, for example atom-occ1.in:
 grep "total ene" test.out.020319.inp\=atom-occ1.in
     total energy              =     -98.61766236 Ry
     total energy              =    -100.77127662 Ry
     total energy              =    -100.25626050 Ry
     total energy              =    -100.02110465 Ry
     total energy              =    -100.11405100 Ry
     total energy              =    -100.91211312 Ry
     total energy              =     -99.79450651 Ry
     total energy              =     -99.95305980 Ry
     total energy              =    -100.25087371 Ry
     total energy              =    -101.34144162 Ry
     total energy              =     -99.77500025 Ry
     total energy              =    -100.93029825 Ry
grep "total ene" benchmark.out.git.inp=atom-occ1.in
     total energy              =     -85.44517532 Ry
     total energy              =     -85.53996012 Ry
     total energy              =     -85.55002653 Ry
     total energy              =     -85.55291696 Ry
     total energy              =     -85.55383013 Ry
     total energy              =     -85.55419500 Ry
     total energy              =     -85.55519508 Ry
     total energy              =     -85.55467789 Ry
     total energy              =     -85.55485046 Ry
     total energy              =     -85.55495416 Ry
     total energy              =     -85.55500722 Ry
     total energy              =     -85.55503257 Ry
     total energy              =     -85.55504109 Ry
     total energy              =     -85.55505508 Ry
     total energy              =     -85.55506021 Ry
!    total energy              =     -85.55506477 Ry

Any idea what can be wrong?
Best,
Michal
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