Bugfix for last commit, reniced output to STDOUT

init/dimen7.F90

@@ -164,7 +164,7 @@
       ENDDO
       CALL ylmnorm_init(atoms%lmaxd)
 !      IF (mod(lmaxd,2).NE.0) lmaxd = lmaxd + 1
-      IF (2*DIMENSION%neigd.LT.MAX(5,input%zelec)) THEN
+      IF (2*DIMENSION%neigd.LT.MAX(5.0,input%zelec)) THEN
         WRITE(6,*) dimension%neigd,' states estimated in dimen7 ...'
         DIMENSION%neigd = MAX(5,NINT(0.75*input%zelec))
         WRITE(6,*) 'changed dimension%neigd to ',dimension%neigd

init/strgn.f90

@@ -61,7 +61,7 @@ CONTAINS
     ALLOCATE (gsk3(stars%ng3),INDEX(stars%ng3),index3(stars%ng3),kv3rev(stars%ng3,3))
 
     !
-    WRITE (*,*) ' stars are always ordered '
+    !WRITE (*,*) ' stars are always ordered '
 
     l_xcExtended = xcpot%igrd.NE.0
     !--->    read in information if exists

main/fleur.F90

@@ -272,6 +272,7 @@ MODULE m_fleur
             CALL resetIterationDependentTimers()
             CALL timestart("Iteration")
             IF (mpi%irank.EQ.0) THEN
+               WRITE(*,"(a,i3)",advance="no") "Iteration:",it
                !-t3e
                WRITE (6,FMT=8100) it
                WRITE (16,FMT=8100) it
@@ -432,7 +433,7 @@ MODULE m_fleur
 
                   IF (.NOT.obsolete%pot8) THEN
                      CALL timestart("generation of potential")
-
+                     IF (mpi%irank==0) WRITE(*,"(a)",advance="no") " * Potential generation "
                      CALL vgen(reap,input,xcpot,dimension,&
                                atoms,sphhar,stars,vacuum,&
                                sym,obsolete,cell,&
@@ -508,6 +509,7 @@ MODULE m_fleur
                                  CALL timestart("generation of hamiltonian and diagonalization (total)")
                                  ! WRITE(6,fmt='(A)') 'Starting 1st variation ...'
                                  CALL timestart("eigen")
+                                 IF (mpi%irank==0) WRITE(*,"(a)",advance="no") "* Eigenvalue problem "
                                  CALL eigen(mpi,stars,sphhar,atoms,obsolete,xcpot,&
                                             sym,kpts,dimension,vacuum,input,cell,enpara,banddos,noco,jij,oneD,hybrid,&
                                             it,eig_id, results)
@@ -570,6 +572,7 @@ MODULE m_fleur
                                  END IF
 
                                  ! WRITE(6,fmt='(A)') 'Starting 2nd variation ...'
+                                 IF (mpi%irank==0) WRITE(*,"(a)",advance="no") "* SOC "
                                  CALL eigenso(eig_id,mpi,dimension,stars,vacuum,atoms,sphhar,&
                                               obsolete,sym,cell,noco,input,kpts, oneD)
 
@@ -603,6 +606,7 @@ MODULE m_fleur
                            !
                            !              ----> fermi level and occupancies
                            !
+                           IF (mpi%irank==0) WRITE(*,"(a)",advance="no") "* Fermi-energy "
                            IF (input%eigvar(3).AND.(.NOT.(noco%l_soc.AND.noco%l_ss))) THEN
 
                               IF (jij%l_J) THEN
@@ -742,7 +746,7 @@ MODULE m_fleur
 !-Wannier
 
                CALL timestart("generation of new charge density (total)")
-
+               IF (mpi%irank==0) WRITE(*,"(a)",advance="no") "* New Charge "
                CALL cdngen(eig_id,mpi,input,banddos,sliceplot,vacuum,&
                            dimension,kpts,atoms,sphhar,stars,sym,obsolete,&
                            enpara,cell,noco,jij,results,oneD)
@@ -847,13 +851,17 @@ MODULE m_fleur
                !          ----> mix input and output densities
                !
                CALL timestart("mixing")
+               IF (mpi%irank==0) WRITE(*,"(a)",advance="no") "* Mixing distance: "
                CALL mix(stars,atoms,sphhar,vacuum,input,sym,cell,it,noco,oneD,hybrid,results)
 
                CALL timestop("mixing")
                WRITE (6,FMT=8130) it
                WRITE (16,FMT=8130) it
+               IF (mpi%irank==0) THEN
+                  WRITE(*,"(f11.7)",advance='no') results%last_distance
+                  WRITE(*,*)
+               ENDIF
 8130           FORMAT (/,5x,'******* it=',i3,'  is completed********',/,/)
-	            WRITE(*,*) "Iteration:", it, " Distance:", results%last_distance
                CALL timestop("Iteration")
                !+t3e
             END IF ! mpi%irank.EQ.0

mpi/setupMPI.F90

@@ -21,6 +21,7 @@ CONTAINS
     !$ omp=omp_get_max_threads()
     if (mpi%irank==0) THEN
        !print INFO on parallelization
+       WRITE(*,*) "--------------------------------------------------------"
 #ifdef CPP_MPI
        write(*,*) "Number of MPI-tasks:  ",mpi%isize
        !$ write(*,*) "Number of OMP-threads:",omp
@@ -53,6 +54,7 @@ CONTAINS
 
     !generate the MPI communicators
     CALL priv_create_comm(nkpt,mpi)
+    if (mpi%irank==0) WRITE(*,*) "--------------------------------------------------------"
 
   END SUBROUTINE setupMPI