diff --git a/.gitignore b/.gitignore index a586a01e0..4193c31fd 100644 --- a/.gitignore +++ b/.gitignore @@ -5,3 +5,4 @@ make.inc w90chk2chk.x libwannier.a *~ +*.x.dSYM \ No newline at end of file diff --git a/src/wannierise.F90 b/src/wannierise.F90 index 13ac32e96..88528db11 100644 --- a/src/wannierise.F90 +++ b/src/wannierise.F90 @@ -2515,6 +2515,10 @@ subroutine wann_main_gamma cz=cmplx_0 + ! Set up the MPI arrays for a serial run. + allocate( counts(0:0), displs(0:0), stat=ierr ) + if (ierr/=0) call io_error('Error in allocating counts and displs in wann_main_gamma') + counts(0)=0; displs(0)=0 ! store original U before rotating !~ ! phase factor ph_g is applied to u_matrix !~ ! NB: ph_g is applied to u_matrix_opt if (have_disentangled) diff --git a/test-suite/tests/testw90_benzene_gamma_val/benzene.win b/test-suite/tests/testw90_benzene_gamma_val/benzene.win index e5775743d..f619892db 100644 --- a/test-suite/tests/testw90_benzene_gamma_val/benzene.win +++ b/test-suite/tests/testw90_benzene_gamma_val/benzene.win @@ -14,11 +14,11 @@ num_iter = 100 conv_tol = 1e-10 conv_window = 5 -translate_home_cell=true +#translate_home_cell=true guiding_centres = true -iprint = 2 +#iprint = 4 ## Plotting ################# #restart = plot