! --- BEGIN_PROVIDER [ integer, n_states_diag ] implicit none BEGIN_DOC ! Number of states to consider during the Davdison diagonalization END_DOC logical :: has PROVIDE ezfio_filename if (mpi_master) then call ezfio_has_davidson_keywords_n_states_diag(has) if (has) then call ezfio_get_davidson_keywords_n_states_diag(n_states_diag) else print *, 'davidson_keywords/n_states_diag not found in EZFIO file' stop 1 endif n_states_diag = max(2,N_states * N_states_diag) endif IRP_IF MPI_DEBUG print *, irp_here, mpi_rank call MPI_BARRIER(MPI_COMM_WORLD, ierr) IRP_ENDIF IRP_IF MPI include 'mpif.h' integer :: ierr call MPI_BCAST( n_states_diag, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr) if (ierr /= MPI_SUCCESS) then stop 'Unable to read n_states_diag with MPI' endif IRP_ENDIF END_PROVIDER ! ---