polishing

src/grid/DAMASK_grid.f90

@@ -105,7 +105,7 @@ program DAMASK_spectral
 !--------------------------------------------------------------------------------------------------
 ! init DAMASK (all modules)
  call CPFEM_initAll
- write(6,'(/,a)')   ' <<<+-  DAMASK_spectral init  -+>>>'
+ write(6,'(/,a)')   ' <<<+-  DAMASK_spectral init  -+>>>'; flush(6)
 
  write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019'
  write(6,'(a)')   ' https://doi.org/10.1007/978-981-10-6855-3_80'
@@ -533,11 +533,9 @@ program DAMASK_spectral
        cutBackLevel = max(0, cutBackLevel - 1)                                                      ! try half number of subincs next inc
 
        if (all(solres(:)%converged)) then
-         write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') &                                     ! report converged inc
+         write(6,'(/,a,i0,a)') ' increment ', totalIncsCounter, ' converged'
-                                   ' increment ', totalIncsCounter, ' converged'
        else
-         write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') &                                     ! report non-converged inc
+         write(6,'(/,a,i0,a)') ' increment ', totalIncsCounter, ' NOT converged'
-                                   ' increment ', totalIncsCounter, ' NOT converged'
        endif; flush(6)
 
        if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then                           ! at output frequency

src/grid/grid_mech_FEM.f90

@@ -96,15 +96,15 @@ subroutine grid_mech_FEM_init
                        1.0_pReal,-1.0_pReal,-1.0_pReal,-1.0_pReal, &
                        1.0_pReal, 1.0_pReal, 1.0_pReal, 1.0_pReal], [4,8])
   PetscErrorCode :: ierr
-  integer :: rank
+  integer        :: rank
-  integer(HID_T)      :: fileHandle, groupHandle
+  integer(HID_T) :: fileHandle, groupHandle
-  character(len=1024) :: rankStr
+  character(len=pStringLen) :: fileName
   real(pReal), dimension(3,3,3,3) :: devNull
   PetscScalar, pointer, dimension(:,:,:,:) :: &
   u_current,u_lastInc
  
-  write(6,'(/,a)') ' <<<+-  grid_mech_FEM init  -+>>>'
+  write(6,'(/,a)') ' <<<+-  grid_mech_FEM init  -+>>>'; flush(6)
-
+  
 !--------------------------------------------------------------------------------------------------
 ! set default and user defined options for PETSc
   call PETScOptionsInsertString(PETSC_NULL_OPTIONS,'-mech_snes_type newtonls -mech_ksp_type fgmres &
@@ -184,11 +184,10 @@ subroutine grid_mech_FEM_init
 !--------------------------------------------------------------------------------------------------
 ! init fields
   restartRead: if (interface_restartInc > 0) then
-    write(6,'(/,a,'//IO_intOut(interface_restartInc)//',a)') &
+    write(6,'(/,a,i0,a)') ' reading restart data of increment ', interface_restartInc, ' from file'
-      'reading values of increment ', interface_restartInc, ' from file'
  
-    write(rankStr,'(a1,i0)')'_',worldrank
+    write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
-    fileHandle  = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5')
+    fileHandle  = HDF5_openFile(fileName)
     groupHandle = HDF5_openGroup(fileHandle,'solver')
     
     call HDF5_read(groupHandle,F_aim,        'F_aim')
@@ -215,8 +214,7 @@ subroutine grid_mech_FEM_init
   CHKERRQ(ierr)
  
   restartRead2: if (interface_restartInc > 0) then
-    write(6,'(/,a,'//IO_intOut(interface_restartInc)//',a)') &
+    write(6,'(/,a,i0,a)') ' reading more restart data of increment ', interface_restartInc, ' from file'
-      'reading more values of increment ', interface_restartInc, ' from file'
     call HDF5_read(groupHandle,C_volAvg,       'C_volAvg')
     call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc')
     
@@ -355,7 +353,7 @@ end subroutine grid_mech_FEM_forward
 !--------------------------------------------------------------------------------------------------
 !> @brief Age
 !--------------------------------------------------------------------------------------------------
-subroutine grid_mech_FEM_updateCoords()
+subroutine grid_mech_FEM_updateCoords
 
   call utilities_updateCoords(F)
 
@@ -365,20 +363,20 @@ end subroutine grid_mech_FEM_updateCoords
 !--------------------------------------------------------------------------------------------------
 !> @brief Write current solver and constitutive data for restart to file
 !--------------------------------------------------------------------------------------------------
-subroutine grid_mech_FEM_restartWrite()
+subroutine grid_mech_FEM_restartWrite
 
   PetscErrorCode :: ierr
+  integer(HID_T) :: fileHandle, groupHandle
   PetscScalar, dimension(:,:,:,:), pointer :: u_current,u_lastInc
-  integer(HID_T)    :: fileHandle, groupHandle
+  character(len=pStringLen) :: fileName
-  character(len=32) :: rankStr
   
   call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr)
   call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr)
 
-  write(6,'(a)') ' writing solver data required for restart to file';flush(6)
+  write(6,'(a)') ' writing solver data required for restart to file'; flush(6)
   
-  write(rankStr,'(a1,i0)')'_',worldrank
+  write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
-  fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5','w')
+  fileHandle  = HDF5_openFile(fileName,'w')
   groupHandle = HDF5_addGroup(fileHandle,'solver')
 
   call HDF5_write(groupHandle,F_aim,        'F_aim')

src/grid/grid_mech_spectral_basic.f90

@@ -94,11 +94,11 @@ subroutine grid_mech_spectral_basic_init
   PetscScalar, pointer, dimension(:,:,:,:) :: &
     F                                                                                               ! pointer to solution data
   PetscInt, dimension(worldsize) :: localK  
-  integer(HID_T)      :: fileHandle, groupHandle
+  integer(HID_T) :: fileHandle, groupHandle
-  integer             :: fileUnit
+  integer        :: fileUnit
-  character(len=1024) :: rankStr
+  character(len=pStringLen) :: fileName
  
-  write(6,'(/,a)') ' <<<+-  grid_mech_spectral_basic init  -+>>>'
+  write(6,'(/,a)') ' <<<+-  grid_mech_spectral_basic init  -+>>>'; flush(6)
  
   write(6,'(/,a)') ' Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
   write(6,'(a)')   ' https://doi.org/10.1016/j.ijplas.2012.09.012'
@@ -151,11 +151,10 @@ subroutine grid_mech_spectral_basic_init
   call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)                                   ! places pointer on PETSc data
  
   restartRead: if (interface_restartInc > 0) then
-    write(6,'(/,a,'//IO_intOut(interface_restartInc)//',a)') &
+    write(6,'(/,a,i0,a)') ' reading restart data of increment ', interface_restartInc, ' from file'
-      ' reading values of increment ', interface_restartInc, ' from file'
 
-    write(rankStr,'(a1,i0)')'_',worldrank
+    write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
-    fileHandle  = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5')
+    fileHandle  = HDF5_openFile(fileName)
     groupHandle = HDF5_openGroup(fileHandle,'solver')
  
     call HDF5_read(groupHandle,F_aim,        'F_aim')
@@ -178,8 +177,7 @@ subroutine grid_mech_spectral_basic_init
   call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)                                ! deassociate pointer
  
   restartRead2: if (interface_restartInc > 0) then
-    write(6,'(/,a,'//IO_intOut(interface_restartInc)//',a)') &
+    write(6,'(/,a,i0,a)') ' reading more restart data of increment ', interface_restartInc, ' from file'
-      'reading more values of increment ', interface_restartInc, ' from file'
     call HDF5_read(groupHandle,C_volAvg,       'C_volAvg')
     call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc')
     
@@ -320,7 +318,7 @@ end subroutine grid_mech_spectral_basic_forward
 !--------------------------------------------------------------------------------------------------
 !> @brief Age
 !--------------------------------------------------------------------------------------------------
-subroutine grid_mech_spectral_basic_updateCoords()
+subroutine grid_mech_spectral_basic_updateCoords
 
   PetscErrorCode :: ierr
   PetscScalar, dimension(:,:,:,:), pointer :: F
@@ -335,19 +333,19 @@ end subroutine grid_mech_spectral_basic_updateCoords
 !--------------------------------------------------------------------------------------------------
 !> @brief Write current solver and constitutive data for restart to file
 !--------------------------------------------------------------------------------------------------
-subroutine grid_mech_spectral_basic_restartWrite()
+subroutine grid_mech_spectral_basic_restartWrite
 
   PetscErrorCode :: ierr
+  integer(HID_T) :: fileHandle, groupHandle
   PetscScalar, dimension(:,:,:,:), pointer :: F
-  integer(HID_T)    :: fileHandle, groupHandle
+  character(len=pStringLen) :: fileName
-  character(len=32) :: rankStr
 
   call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
 
-  write(6,'(a)') ' writing solver data required for restart to file';flush(6)
+  write(6,'(a)') ' writing solver data required for restart to file'; flush(6)
   
-  write(rankStr,'(a1,i0)')'_',worldrank
+  write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
-  fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5','w')
+  fileHandle  = HDF5_openFile(fileName,'w')
   groupHandle = HDF5_addGroup(fileHandle,'solver')
   
   call HDF5_write(groupHandle,F_aim,        'F_aim')

src/grid/grid_mech_spectral_polarisation.f90

@@ -102,11 +102,11 @@ subroutine grid_mech_spectral_polarisation_init
     F, &                                                                                            ! specific (sub)pointer
     F_tau                                                                                           ! specific (sub)pointer
   PetscInt, dimension(worldsize) :: localK 
-  integer(HID_T)      :: fileHandle, groupHandle
+  integer(HID_T) :: fileHandle, groupHandle
-  integer             :: fileUnit
+  integer        :: fileUnit
-  character(len=1024) :: rankStr
+  character(len=pStringLen) :: fileName
   
-  write(6,'(/,a)') ' <<<+-  grid_mech_spectral_polarisation init  -+>>>'
+  write(6,'(/,a)') ' <<<+-  grid_mech_spectral_polarisation init  -+>>>'; flush(6)
  
   write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
   write(6,'(a)')   ' https://doi.org/10.1016/j.ijplas.2014.02.006'
@@ -160,11 +160,10 @@ subroutine grid_mech_spectral_polarisation_init
   F_tau => FandF_tau(9:17,:,:,:)
  
   restartRead: if (interface_restartInc > 0) then
-    write(6,'(/,a,'//IO_intOut(interface_restartInc)//',a)') &
+    write(6,'(/,a,i0,a)') ' reading restart data of increment ', interface_restartInc, ' from file'
-      ' reading values of increment ', interface_restartInc, ' from file'
+
- 
+    write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
-    write(rankStr,'(a1,i0)')'_',worldrank
+    fileHandle  = HDF5_openFile(fileName)
-    fileHandle  = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5')
     groupHandle = HDF5_openGroup(fileHandle,'solver')
  
     call HDF5_read(groupHandle,F_aim,        'F_aim')
@@ -191,8 +190,7 @@ subroutine grid_mech_spectral_polarisation_init
   call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)                        ! deassociate pointer
  
   restartRead2: if (interface_restartInc > 0) then
-    write(6,'(/,a,'//IO_intOut(interface_restartInc)//',a)') &
+    write(6,'(/,a,i0,a)') ' reading more restart data of increment ', interface_restartInc, ' from file'
-      ' reading more values of increment ', interface_restartInc, ' from file'
     call HDF5_read(groupHandle,C_volAvg,       'C_volAvg')
     call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc')
 
@@ -363,7 +361,7 @@ end subroutine grid_mech_spectral_polarisation_forward
 !--------------------------------------------------------------------------------------------------
 !> @brief Age
 !--------------------------------------------------------------------------------------------------
-subroutine grid_mech_spectral_polarisation_updateCoords()
+subroutine grid_mech_spectral_polarisation_updateCoords
 
   PetscErrorCode :: ierr
   PetscScalar, dimension(:,:,:,:), pointer :: FandF_tau
@@ -378,21 +376,21 @@ end subroutine grid_mech_spectral_polarisation_updateCoords
 !--------------------------------------------------------------------------------------------------
 !> @brief Write current solver and constitutive data for restart to file
 !--------------------------------------------------------------------------------------------------
-subroutine grid_mech_spectral_polarisation_restartWrite()
+subroutine grid_mech_spectral_polarisation_restartWrite
 
   PetscErrorCode :: ierr
+  integer(HID_T) :: fileHandle, groupHandle
   PetscScalar, dimension(:,:,:,:), pointer :: FandF_tau, F, F_tau
-  integer(HID_T)    :: fileHandle, groupHandle
+  character(len=pStringLen) :: fileName
-  character(len=32) :: rankStr
 
   call DMDAVecGetArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)
   F     => FandF_tau(0: 8,:,:,:)
   F_tau => FandF_tau(9:17,:,:,:)
 
-  write(6,'(a)') ' writing solver data required for restart to file';flush(6)
+  write(6,'(a)') ' writing solver data required for restart to file'; flush(6)
 
-  write(rankStr,'(a1,i0)')'_',worldrank
+  write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
-  fileHandle  = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5','w')
+  fileHandle  = HDF5_openFile(fileName,'w')
   groupHandle = HDF5_addGroup(fileHandle,'solver')
   
   call HDF5_write(groupHandle,F_aim,        'F_aim')

src/grid/spectral_utilities.f90

@@ -1119,7 +1119,7 @@ subroutine utilities_saveReferenceStiffness
     fileUnit
 
   if (worldrank == 0) then
-    write(6,'(a)') ' writing reference stiffness data required for restart to file';flush(6)
+    write(6,'(a)') ' writing reference stiffness data required for restart to file'; flush(6)
     fileUnit = IO_open_jobFile_binary('C_ref','w')
     write(fileUnit) C_ref
     close(fileUnit)

src/mesh/DAMASK_FEM.f90

@@ -73,7 +73,7 @@ program DAMASK_FEM
 !--------------------------------------------------------------------------------------------------
 ! init DAMASK (all modules)
   call CPFEM_initAll
-  write(6,'(/,a)')   ' <<<+-  DAMASK_FEM init  -+>>>'
+  write(6,'(/,a)')   ' <<<+-  DAMASK_FEM init  -+>>>'; flush(6)
  
 ! reading basic information from load case file and allocate data structure containing load cases
   call DMGetDimension(geomMesh,dimPlex,ierr); CHKERRA(ierr)                                         !< dimension of mesh (2D or 3D)
@@ -366,11 +366,9 @@ program DAMASK_FEM
       cutBackLevel = max(0, cutBackLevel - 1)                                                       ! try half number of subincs next inc
 
       if (all(solres(:)%converged)) then
-        write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') &                                      ! report converged inc
+        write(6,'(/,a,i0,a)') ' increment ', totalIncsCounter, ' converged'
-                                  ' increment ', totalIncsCounter, ' converged'
       else
-        write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') &                                      ! report non-converged inc
+        write(6,'(/,a,i0,a)') ' increment ', totalIncsCounter, ' NOT converged'
-                                  ' increment ', totalIncsCounter, ' NOT converged'
       endif; flush(6)
 
       if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then                            ! at output frequency