Fixed small MPI bug in communication of coretail_lmax

mpi/mpi_bc_all.F90

@@ -48,7 +48,7 @@ CONTAINS
     EXTERNAL MPI_BCAST
 
     IF (mpi%irank.EQ.0) THEN
-       i(1)=1 ; i(2)=input$coretail_lmax;i(3)=atoms%ntype ; i(5)=1 ; i(6)=input%isec1
+       i(1)=1 ; i(2)=input%coretail_lmax;i(3)=atoms%ntype ; i(5)=1 ; i(6)=input%isec1
        i(7)=stars%ng2 ; i(8)=stars%ng3 ; i(9)=vacuum%nmz ; i(10)=vacuum%nmzxy ; i(11)=obsolete%lepr 
        i(12)=input%jspins ; i(13)=vacuum%nvac ; i(14)=input%itmax ; i(15)=sliceplot%kk ; i(16)=vacuum%layers
        i(17)=sliceplot%nnne ; i(18)=banddos%ndir ; i(19)=stars%mx1 ; i(20)=stars%mx2 ; i(21)=stars%mx3
@@ -85,7 +85,7 @@ CONTAINS
     input%jspins=i(12) ; vacuum%nvac=i(13) ; input%itmax=i(14) ; sliceplot%kk=i(15) ; vacuum%layers=i(16)
     stars%ng2=i(7) ; stars%ng3=i(8) ; vacuum%nmz=i(9) ; vacuum%nmzxy=i(10) ; obsolete%lepr=i(11)
      atoms%ntype=i(3) ;  input%isec1=i(6)
-     input$coretail_lmax=i(2)
+     input%coretail_lmax=i(2)
     !
     CALL MPI_BCAST(r,SIZE(r),MPI_DOUBLE_PRECISION,0,mpi%mpi_comm,ierr)
     rdum=aMix_VHSE( r(27) ); rdum=omega_VHSE( r(28) )

mpi/setupMPI.F90

@@ -119,11 +119,11 @@ CONTAINS
        i_mygroup(n) = i-1
     ENDDO
 
-    !      write (*,*) irank,n_groups,n_start,i_mygroup
 
     CALL MPI_COMM_GROUP (mpi%MPI_COMM,WORLD_GROUP,ierr)
     CALL MPI_GROUP_INCL (WORLD_GROUP,mpi%n_size,i_mygroup,SUB_GROUP,ierr)
     CALL MPI_COMM_CREATE (mpi%MPI_COMM,SUB_GROUP,mpi%SUB_COMM,ierr)
+    write (*,"(a,i0,100i4)") "MPI:",mpi%sub_comm,mpi%irank,mpi%n_groups,mpi%n_size,n,i_mygroup
 
     CALL MPI_COMM_RANK (mpi%SUB_COMM,mpi%n_rank,ierr)
 #endif

vgen/psqpw.F90

@@ -195,9 +195,6 @@ CONTAINS
        ENDIF
        WRITE (6,FMT=8000) psint
        WRITE (16,FMT=8000) psint
-       DO k=2,stars%ng3
-	write(6,*) "PSQ",k,psq(k)
-	ENDDO
 8000   FORMAT (/,10x,'integral of pseudo charge density inside the slab='&
             &       ,5x,2f11.6)
        IF (.NOT.input%film) RETURN