diff --git a/src/library_interface.F90 b/src/library_interface.F90 index b44d5e15..d26ff843 100644 --- a/src/library_interface.F90 +++ b/src/library_interface.F90 @@ -304,7 +304,7 @@ subroutine w90_input_setopt(common_data, seedname, istdout, istderr, ierr) ierr = 0 - if (.not. valid_communicator(common_data%comm)) then ! always true of MPI not defined (see comms.F90) + if (.not. valid_communicator(common_data%comm)) then ! when MPI is not defined, valid_communicator returns true (see comms.F90) ! this is a problem: how do we exit using the parallel error handler when the communicator is unknown? write (istderr, *) ' Error: parallel Wannier90 library invoked with invalid communicator, exiting. Use w90_set_comm()!' ierr = code_mpi @@ -563,7 +563,6 @@ subroutine w90_disentangle(common_data, istdout, istderr, ierr) return endif - !fixme, aliasing of input and output m_matrix_local here (resizing nb,nb -> nw,nw) call setup_m_loc(common_data%kmesh_info, common_data%print_output, common_data%m_matrix_local, & common_data%m_matrix_local, common_data%u_matrix, common_data%num_bands, & common_data%num_kpts, common_data%num_wann, common_data%timer, &