Upgrading to gcc15 seems to break spin polarized calculation
Dear QE developers,
Recently I performed a system upgrade (archlinux), after which I noticed that spin polarized calculation seems to be broken. I experimented with my software stack and found the problem seems to be in gcc, and specifically, archlinux upgrades gcc to version 15 in the recent update. I installed gcc14 and gfortran14 and modified my PATH such that the older compilers are used, while the rest of the software stack remained unchanged. The gcc14 run was OK. Attached is an example reproducer for an NO molecule, which contains the two runs from gcc14 and gcc15, both compiled from the latest HEAD 139b60adb. In the software_stack file I also listed exact versions of gcc, mpi, blas, lapack and fftw.
Cheers, Ju-anreproducer.tar
Edited by Ju-an Zhang