<div dir="ltr"><div dir="ltr"><div dir="ltr">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). <div>Without libxc, the tests pass without any problems, but with libxc, at least some pw_atom tests fail, for example <a href="http://atom-occ1.in">atom-occ1.in</a>:</div><div><div> grep "total ene" test.out.020319.inp\=<a href="http://atom-occ1.in">atom-occ1.in</a></div><div>     total energy              =     -98.61766236 Ry</div><div>     total energy              =    -100.77127662 Ry</div><div>     total energy              =    -100.25626050 Ry</div><div>     total energy              =    -100.02110465 Ry</div><div>     total energy              =    -100.11405100 Ry</div><div>     total energy              =    -100.91211312 Ry</div><div>     total energy              =     -99.79450651 Ry</div><div>     total energy              =     -99.95305980 Ry</div><div>     total energy              =    -100.25087371 Ry</div><div>     total energy              =    -101.34144162 Ry</div><div>     total energy              =     -99.77500025 Ry</div><div>     total energy              =    -100.93029825 Ry</div></div><div><div>grep "total ene" benchmark.out.git.inp=<a href="http://atom-occ1.in">atom-occ1.in</a></div><div>     total energy              =     -85.44517532 Ry</div><div>     total energy              =     -85.53996012 Ry</div><div>     total energy              =     -85.55002653 Ry</div><div>     total energy              =     -85.55291696 Ry</div><div>     total energy              =     -85.55383013 Ry</div><div>     total energy              =     -85.55419500 Ry</div><div>     total energy              =     -85.55519508 Ry</div><div>     total energy              =     -85.55467789 Ry</div><div>     total energy              =     -85.55485046 Ry</div><div>     total energy              =     -85.55495416 Ry</div><div>     total energy              =     -85.55500722 Ry</div><div>     total energy              =     -85.55503257 Ry</div><div>     total energy              =     -85.55504109 Ry</div><div>     total energy              =     -85.55505508 Ry</div><div>     total energy              =     -85.55506021 Ry</div><div>!    total energy              =     -85.55506477 Ry</div></div><div><br></div><div>Any idea what can be wrong?</div><div>Best,</div><div>Michal</div></div></div></div>