Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop

diagonalization/scalapack.F90

@@ -76,12 +76,12 @@ CONTAINS
     
     abstol=2.0*CPP_LAPACK_slamch('S') ! PDLAMCH gave an error on ZAMpano
 
-    CALL ev_dist%init(hmat%l_real,hmat%global_size1,hmat%global_size2,hmat%mpi_com,.TRUE.)
+    CALL ev_dist%init(hmat)
 
     !smat%blacs_desc(2)    = hmat%blacs_desc(2)
     !ev_dist%blacs_desc(2) = hmat%blacs_desc(2)
-    smat%blacs_desc=hmat%blacs_desc
-    ev_dist%blacs_desc=hmat%blacs_desc
+    !smat%blacs_desc=hmat%blacs_desc
+    !ev_dist%blacs_desc=hmat%blacs_desc
     
     
     nb=hmat%blacs_desc(5)! Blocking factor

eigen/eigen_redist_matrix.f90

@@ -38,22 +38,22 @@ CONTAINS
     !up-up component (or only component in collinear case)
     IF (SIZE(mat)==1) THEN
        CALL mat_final%move(mat(1,1))
-       IF (.NOT.PRESENT(mat_final_templ)) CALL mat(1,1)%free()
+       IF (PRESENT(mat_final_templ)) CALL mat(1,1)%free()
        RETURN
     ENDIF
 
     CALL mat_final%copy(mat(1,1),1,1)
-    IF (.NOT.PRESENT(mat_final_templ)) CALL mat(1,1)%free()
+    IF (PRESENT(mat_final_templ)) CALL mat(1,1)%free()
   
     !down-down component
     CALL mat_final%copy(mat(2,2),lapw%nv(1)+atoms%nlotot+1,lapw%nv(1)+atoms%nlotot+1)
-    IF (.NOT.PRESENT(mat_final_templ)) CALL mat(2,2)%free()
+    IF (PRESENT(mat_final_templ)) CALL mat(2,2)%free()
 
     !Now collect off-diagonal parts
     CALL mat(1,2)%add_transpose(mat(2,1))
     CALL mat_final%copy(mat(1,2),1,lapw%nv(1)+atoms%nlotot+1)
-    IF (.NOT.PRESENT(mat_final_templ)) CALL mat(1,2)%free()
-    IF (.NOT.PRESENT(mat_final_templ)) CALL mat(2,1)%free()
+    IF (PRESENT(mat_final_templ)) CALL mat(1,2)%free()
+    IF (PRESENT(mat_final_templ)) CALL mat(2,1)%free()
     
   END SUBROUTINE eigen_redist_matrix
 END MODULE m_eigen_redist_matrix

types/types_mpimat.F90

@@ -305,8 +305,10 @@ CONTAINS
        mat%nprow=templ%nprow
        IF (mat%l_real) THEN
           ALLOCATE(mat%data_r(mat%matsize1,mat%matsize2))
+          ALLOCATE(mat%data_c(0,0))
        ELSE
           ALLOCATE(mat%data_c(mat%matsize1,mat%matsize2))
+          ALLOCATE(mat%data_r(0,0))
        END IF
        CLASS default
           CALL judft_error("Mixed initialization in t_mpimat not possible(BUG)")