writing group structure in file root

src/CPFEM2.f90

@@ -10,8 +10,8 @@ module CPFEM2
 
  public :: &
    CPFEM_age, &
-   CPFEM_initAll
+   CPFEM_initAll, &
-
+   CPFEM_results
 contains
 
 
@@ -20,8 +20,7 @@ contains
 !--------------------------------------------------------------------------------------------------
 subroutine CPFEM_initAll()
  use prec, only: &
-   pInt
+   pInt, &
- use prec, only: &
    prec_init
  use numerics, only: &
    numerics_init
@@ -139,12 +138,10 @@ subroutine CPFEM_init
  character(len=1024) :: rankStr, PlasticItem, HomogItem
  integer(HID_T) :: fileHandle, groupPlasticID, groupHomogID
 
- mainProcess: if (worldrank == 0) then 
  write(6,'(/,a)')   ' <<<+-  CPFEM init  -+>>>'
  write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
 #include "compilation_info.f90"
  flush(6)
- endif mainProcess
 
  ! *** restore the last converged values of each essential variable from the binary file
  if (restartRead) then
@@ -188,6 +185,7 @@ subroutine CPFEM_init
 
 end subroutine CPFEM_init
 
+
 !--------------------------------------------------------------------------------------------------
 !> @brief forwards data after successful increment
 !--------------------------------------------------------------------------------------------------
@@ -247,21 +245,20 @@ subroutine CPFEM_age()
    getSolverJobName
 
  implicit none
-
  integer(pInt)    ::  i, ph, homog, mySource
  character(len=32) :: rankStr, PlasticItem, HomogItem
  integer(HID_T) :: fileHandle, groupPlastic, groupHomog
 
-if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
+ if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
    write(6,'(a)') '<< CPFEM >> aging states'
 
-  crystallite_F0  = crystallite_partionedF                                                    ! crystallite deformation (_subF is perturbed...)
+ crystallite_F0  = crystallite_partionedF
-  crystallite_Fp0 = crystallite_Fp                                                            ! crystallite plastic deformation
+ crystallite_Fp0 = crystallite_Fp
-  crystallite_Lp0 = crystallite_Lp                                                            ! crystallite plastic velocity
+ crystallite_Lp0 = crystallite_Lp
-  crystallite_Fi0 = crystallite_Fi                                                            ! crystallite intermediate deformation
+ crystallite_Fi0 = crystallite_Fi
-  crystallite_Li0 = crystallite_Li                                                            ! crystallite intermediate velocity
+ crystallite_Li0 = crystallite_Li
-  crystallite_dPdF0 = crystallite_dPdF                                                        ! crystallite stiffness
+ crystallite_dPdF0 = crystallite_dPdF
-  crystallite_Tstar0_v = crystallite_Tstar_v                                                  ! crystallite 2nd Piola Kirchhoff stress
+ crystallite_Tstar0_v = crystallite_Tstar_v
  
  forall (i = 1:size(plasticState)) plasticState(i)%state0 = plasticState(i)%state            ! copy state in this lengthy way because: A component cannot be an array if the encompassing structure is an array
  
@@ -278,11 +275,11 @@ if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
    hydrogenfluxState(homog)%state0 =  hydrogenfluxState(homog)%state
  enddo
 
-if (restartWrite) then
+ if (restartWrite) then
    if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
      write(6,'(a)') '<< CPFEM >> writing restart variables of last converged step to hdf5 file'
-  write(rankStr,'(a1,i0)')'_',worldrank
    
+   write(rankStr,'(a1,i0)')'_',worldrank
    fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5','w')
    
    call HDF5_write(material_phase,      fileHandle,'recordedPhase')
@@ -310,11 +307,34 @@ if (restartWrite) then
    
    call HDF5_closeFile(fileHandle)
    restartWrite = .false.
-endif
+ endif
 
-if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
+ if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
    write(6,'(a)') '<< CPFEM >> done aging states'
 
 end subroutine CPFEM_age
 
+!--------------------------------------------------------------------------------------------------
+!> @brief triggers writing of the results
+!--------------------------------------------------------------------------------------------------
+subroutine CPFEM_results(inc)
+ use prec, only: &
+   pInt
+ use results
+ use HDF5_utilities
+ use constitutive, only: &
+   constitutive_results
+
+ implicit none
+ integer(pInt), intent(in) :: inc
+ character(len=16)        :: incChar
+
+ call results_openJobFile
+ write(incChar,*) inc
+ call HDF5_closeGroup(results_addGroup(trim('inc'//trim(adjustl(incChar))))) 
+ call constitutive_results()
+ call results_closeJobFile
+
+end subroutine CPFEM_results
+
 end module CPFEM2

src/DAMASK_spectral.f90

@@ -46,7 +46,8 @@ program DAMASK_spectral
    grid, &
    geomSize
  use CPFEM2, only: &
-   CPFEM_initAll
+   CPFEM_initAll, &
+   CPFEM_results
  use FEsolving, only: &
    restartWrite, &
    restartInc
@@ -601,6 +602,7 @@ program DAMASK_spectral
            if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_write')
          enddo
          fileOffset = fileOffset + sum(outputSize)                                                  ! forward to current file position
+         call CPFEM_results(inc)
        endif
        if (              loadCases(currentLoadCase)%restartFrequency > 0_pInt &                     ! writing of restart info requested ...
            .and. mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then               ! ... and at frequency of writing restart information

src/constitutive.f90

@@ -25,7 +25,8 @@ module constitutive
    constitutive_SandItsTangents, &
    constitutive_collectDotState, &
    constitutive_collectDeltaState, &
-   constitutive_postResults
+   constitutive_postResults, &
+   constitutive_results
 
  private :: &
    constitutive_hooke_SandItsTangents
@@ -1179,4 +1180,12 @@ function constitutive_postResults(S6, Fi, FeArray, ipc, ip, el)
 
 end function constitutive_postResults
 
+
+!--------------------------------------------------------------------------------------------------
+!> @brief  contains the constitutive equation for calculating the velocity gradient
+!--------------------------------------------------------------------------------------------------
+subroutine constitutive_results()
+
+end subroutine constitutive_results
+
 end module constitutive