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 ... _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
