bug report in subroutine MLWF_WANNIER90_AMN in sources/CSC-mods/vasp/mlwf.F

[yuechm]

Dear developer,

I find there is a bug in the subroutine MLWF_WANNIER90_AMN in sources/CSC-mods/vasp/mlwf.F .
You forgot to allocate M_matrix which will cause a segment fault error.

You can just fix the bug by adding after the line #541 in sources/CSC-mods/vasp/mlwf.F
ALLOCATE(M_matrix(num_bands,num_bands,nntot,num_kpts,WDES%ISPIN))
and by adding after the line #918.
DEALLOCATE(M_matrix)

Best,

Changming Yue

[Nagasapa]

Hi @yuechm even if i am modifying the code as you have mentioned , still i am getting this error "= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 0 PID 668428 RUNNING AT server05-SDI200F0A-48
= KILLED BY SIGNAL: 7 (Bus error)". Do you have any suggestions on how this could be resolved?

Thank you!!