[QE-users] Tracing MPI buidl of QE 7.0 malfuction (gfortranm OpenMPI).

[Husak Michal]

Hi

I am trying to find why the MPI build (gfortan + OpenMP) does not work for QE 6.6-7.0
The code stops in the routine
good_fft_order (in fft_support.f90)
on following statement
 IF (np <= 0 .OR. np > nr) & ....

This is called from
realspace_grid_init (in fft_types.f90) ...

Following command generate nonsense input generating code stop (np=2,nr=1)
 dfft%nr1 = good_fft_order( dfft%nr1, fft_fact(1)

I am not an Fortran expert not familiar with the QE architecture so tracing this issue more deeply is
behind my knowledge ....

Any advice I can try ?
Run some test, debug mode ?

Michal Husak
UCT Prague ...