Add parallelization recommendations also to info mode

io/cdn_io.F90

@@ -71,7 +71,7 @@ MODULE m_cdn_io
 
       CALL getMode(mode)
 
-      WRITE(*,'(a)') 'Available densities info'
+      WRITE(*,*) 'Available densities info:'
       WRITE(*,*)
 
       IF(mode.EQ.CDN_HDF5_MODE) THEN
@@ -80,7 +80,7 @@ MODULE m_cdn_io
          IF (l_exist) THEN
             CALL openCDN_HDF(fileID,currentStarsIndex,currentLatharmsIndex,currentStructureIndex,&
                              currentStepfunctionIndex,readDensityIndex,lastDensityIndex)
-            WRITE(*,'(a)') 'densityIndex   prevDensity   iteration      distance'
+            WRITE(*,*) 'densityIndex   iteration   prevDensity   prevDistance'
             DO i = 1, lastDensityIndex
                archiveName = ''
                WRITE(archiveName,'(a,i0)') '/cdn-', i
@@ -95,7 +95,7 @@ MODULE m_cdn_io
                                         stepfunctionIndexTemp,previousDensityIndex, jspinsTemp,&
                                         distanceTemp, fermiEnergyTemp, l_qfixTemp)
 
-               WRITE(*,'(i7,8x,i7,5x,i7,4x,f15.8)') i, previousDensityIndex, iterTemp, distanceTemp
+               WRITE(*,'(1x,i7,6x,i7,7x,i7,4x,f15.8)') i, iterTemp, previousDensityIndex, distanceTemp
 
             END DO
             CALL closeCDNPOT_HDF(fileID)

main/fleur_info.f90

@@ -19,13 +19,17 @@ MODULE m_fleur_info
 
    CONTAINS
 
-   SUBROUTINE fleur_info()
+   SUBROUTINE fleur_info(kpts)
 
       USE m_juDFT
       USE m_cdn_io
+      USE m_setupMPI
+      USE m_types
 
       IMPLICIT NONE
 
+      TYPE(t_kpts), INTENT(IN)     :: kpts
+
       LOGICAL       :: l_exist
 
       IF (.NOT.juDFT_was_argument("-info")) RETURN
@@ -33,6 +37,8 @@ MODULE m_fleur_info
       WRITE(*,*) 'Fleur info mode'
       WRITE(*,*) '================================================='
       WRITE(*,*) ''
+      CALL priv_dist_info(kpts%nkpt)
+      WRITE(*,*) ''
       CALL printDensityFileInfo()
       WRITE(*,*) '================================================='
       CALL juDFT_error("Fleur info output completed")

main/fleur_init.F90

@@ -491,7 +491,7 @@
           END IF
 
           IF (mpi%irank.EQ.0) THEN
-             CALL fleur_info()
+             CALL fleur_info(kpts)
           END IF
 
           !Finalize the MPI setup

mpi/setupMPI.F90

@@ -143,7 +143,7 @@ CONTAINS
           pe_k_only(k_only)=n
        ENDIF
     END DO
-    WRITE(*,*) "Most efficient parallelization for:"
+    WRITE(*,*) "Most efficient MPI parallelization for:"
     WRITE(*,*) pe_k_only(:k_only)
     !check if eigenvalue parallelization is possible
     IF (parallel_solver_available()) WRITE(*,*) "Additional eigenvalue parallelization possible"