Committing fix for #130 (thanks to J. Yates)

wannier-developers · Apr 3, 2017 · 6dbd86b · 6dbd86b
1 parent b8082ae
commit 6dbd86b
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Showing 3 changed files with 7 additions and 2 deletions.
diff --git a/.gitignore b/.gitignore
@@ -5,3 +5,4 @@ make.inc
 w90chk2chk.x
 libwannier.a
 *~
+*.x.dSYM
diff --git 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
@@ -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