avoid errors by consistently closing objects

general bugfixes, works now

src/CPFEM2.f90

@@ -158,9 +158,7 @@ subroutine CPFEM_init
    fileReadID = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5')
   
    call HDF5_read(material_phase,      fileReadID,'recordedPhase')
-   !write(6,*) material_phase
    call HDF5_read(crystallite_F0,      fileReadID,'convergedF')
-   !write(6,*) crystallite_F0
    call HDF5_read(crystallite_Fp0,     fileReadID,'convergedFp')
    call HDF5_read(crystallite_Fi0,     fileReadID,'convergedFi')
    call HDF5_read(crystallite_Lp0,     fileReadID,'convergedLp')
@@ -169,65 +167,15 @@ subroutine CPFEM_init
    call HDF5_read(crystallite_Tstar0_v,fileReadID,'convergedTstar')
    
    groupPlasticID = HDF5_openGroup2(fileReadID,'PlasticPhases')
-   write(6,*) groupPlasticID
    do ph = 1_pInt,size(phase_plasticity)
     call HDF5_read(plasticState(ph)%state0,groupPlasticID,'convergedStateConst')
-    write(6,*) plasticState(ph)%state0
    enddo
    
    groupHomogID = HDF5_openGroup2(fileReadID,'material_Nhomogenization')
-   write(6,*) groupHomogID
    do homog = 1_pInt, material_Nhomogenization
     call HDF5_read(homogState(homog)%state0, groupHomogID,'convergedStateHomog')
-    write(6,*) homogState(homog)%state0
    enddo
    
-   ! call IO_read_intFile(777,'recordedPhase'//trim(rankStr),modelName,size(material_phase))
-   ! read (777,rec=1) material_phase;       close (777)
-
-   ! call IO_read_realFile(777,'convergedF'//trim(rankStr),modelName,size(crystallite_F0))
-   ! read (777,rec=1) crystallite_F0;       close (777)
-
-   ! call IO_read_realFile(777,'convergedFp'//trim(rankStr),modelName,size(crystallite_Fp0))
-   ! read (777,rec=1) crystallite_Fp0;      close (777)
-
-   ! call IO_read_realFile(777,'convergedFi'//trim(rankStr),modelName,size(crystallite_Fi0))
-   ! read (777,rec=1) crystallite_Fi0;      close (777)
-
-   ! call IO_read_realFile(777,'convergedLp'//trim(rankStr),modelName,size(crystallite_Lp0))
-   ! read (777,rec=1) crystallite_Lp0;      close (777)
-
-   ! call IO_read_realFile(777,'convergedLi'//trim(rankStr),modelName,size(crystallite_Li0))
-   ! read (777,rec=1) crystallite_Li0;      close (777)
-
-   ! call IO_read_realFile(777,'convergeddPdF'//trim(rankStr),modelName,size(crystallite_dPdF0))
-   ! read (777,rec=1) crystallite_dPdF0;    close (777)
-
-   ! call IO_read_realFile(777,'convergedTstar'//trim(rankStr),modelName,size(crystallite_Tstar0_v))
-   ! read (777,rec=1) crystallite_Tstar0_v; close (777)
-
-   ! call IO_read_realFile(777,'convergedStateConst'//trim(rankStr),modelName)
-   ! m = 0_pInt
-   ! readPlasticityInstances: do ph = 1_pInt, size(phase_plasticity)
-     ! do k = 1_pInt, plasticState(ph)%sizeState
-       ! do l = 1, size(plasticState(ph)%state0(1,:))
-         ! m = m+1_pInt
-         ! read(777,rec=m) plasticState(ph)%state0(k,l)
-     ! enddo; enddo
-   ! enddo readPlasticityInstances
-   ! close (777)
-
-   ! call IO_read_realFile(777,'convergedStateHomog'//trim(rankStr),modelName)
-   ! m = 0_pInt
-   ! readHomogInstances: do homog = 1_pInt, material_Nhomogenization
-     ! do k = 1_pInt, homogState(homog)%sizeState
-       ! do l = 1, size(homogState(homog)%state0(1,:))
-         ! m = m+1_pInt
-         ! read(777,rec=m) homogState(homog)%state0(k,l)
-     ! enddo; enddo
-   ! enddo readHomogInstances
-   ! close (777)
-
    restartRead = .false.
  endif
 
@@ -283,13 +231,11 @@ subroutine CPFEM_age()
    IO_write_jobRealFile, &
    IO_warning
  use HDF5_utilities, only: &
-   HDF5_createFile, &
+   HDF5_openFile, &
    HDF5_closeFile, &
    HDF5_closeGroup, &
    HDF5_addGroup2, &
-   !HDF5_writeScalarDataset3, &
    HDF5_write
-   !HDF5_addScalarDataset2
  use hdf5
  use DAMASK_interface, only: &
    getSolverJobName
@@ -302,8 +248,6 @@ subroutine CPFEM_age()
  integer        :: hdferr
  integer(HSIZE_T)  :: hdfsize
  
-  real(pReal), dimension(4,1,1,3,2) :: testData = reshape(real([1,2,3,4,5,6,7,8,9,10,11,12,13,14,15, &
-        16,17,18,19,20,21,22,23,24],pReal),[4,1,1,3,2])
 
 if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
   write(6,'(a)') '<< CPFEM >> aging states'
@@ -333,11 +277,10 @@ enddo
 
 if (restartWrite) then
   if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
-    write(6,'(a)') '<< CPFEM >> writing state variables of last converged step to binary files'
+    write(6,'(a)') '<< CPFEM >> writing restart variables of last converged step to hdf5 file'
-
   write(rankStr,'(a1,i0)')'_',worldrank
 
-  fileHandle = HDF5_createFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5')
+  fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5','w')
   
   call HDF5_write(material_phase,      fileHandle,'recordedPhase')
   call HDF5_write(crystallite_F0,      fileHandle,'convergedF')
@@ -352,60 +295,16 @@ if (restartWrite) then
   do ph = 1_pInt,size(phase_plasticity)
     call HDF5_write(plasticState(ph)%state0,groupPlastic,'convergedStateConst')
   enddo
+  call HDF5_closeGroup(groupPlastic)
 
   groupHomog = HDF5_addGroup2(fileHandle,'material_Nhomogenization')
   do homog = 1_pInt, material_Nhomogenization
     call HDF5_write(homogState(homog)%state0,groupHomog,'convergedStateHomog')
   enddo
+  call HDF5_closeGroup(groupHomog)
   
   call HDF5_closeFile(fileHandle)
-
+  restartWrite = .false.
-  ! call IO_write_jobRealFile(777,'recordedPhase'//trim(rankStr),size(material_phase))
-  ! write (777,rec=1) material_phase;       close (777)
-
-  ! call IO_write_jobRealFile(777,'convergedF'//trim(rankStr),size(crystallite_F0))
-  ! write (777,rec=1) crystallite_F0;       close (777)
-
-  ! call IO_write_jobRealFile(777,'convergedFp'//trim(rankStr),size(crystallite_Fp0))
-  ! write (777,rec=1) crystallite_Fp0;      close (777)
-
-  ! call IO_write_jobRealFile(777,'convergedFi'//trim(rankStr),size(crystallite_Fi0))
-  ! write (777,rec=1) crystallite_Fi0;      close (777)
-
-  ! call IO_write_jobRealFile(777,'convergedLp'//trim(rankStr),size(crystallite_Lp0))
-  ! write (777,rec=1) crystallite_Lp0;      close (777)
-
-  ! call IO_write_jobRealFile(777,'convergedLi'//trim(rankStr),size(crystallite_Li0))
-  ! write (777,rec=1) crystallite_Li0;      close (777)
-
-  ! call IO_write_jobRealFile(777,'convergeddPdF'//trim(rankStr),size(crystallite_dPdF0))
-  ! write (777,rec=1) crystallite_dPdF0;    close (777)
-
-  ! call IO_write_jobRealFile(777,'convergedTstar'//trim(rankStr),size(crystallite_Tstar0_v))
-  ! write (777,rec=1) crystallite_Tstar0_v; close (777)
-
-  ! call IO_write_jobRealFile(777,'convergedStateConst'//trim(rankStr))
-  ! m = 0_pInt
-  ! writePlasticityInstances: do ph = 1_pInt, size(phase_plasticity)
-    ! do k = 1_pInt, plasticState(ph)%sizeState
-      ! do l = 1, size(plasticState(ph)%state0(1,:))
-        ! m = m+1_pInt
-        ! write(777,rec=m) plasticState(ph)%state0(k,l)
-    ! enddo; enddo
-  ! enddo writePlasticityInstances
-  ! close (777)
-
-  ! call IO_write_jobRealFile(777,'convergedStateHomog'//trim(rankStr))
-  ! m = 0_pInt
-  ! writeHomogInstances: do homog = 1_pInt, material_Nhomogenization
-    ! do k = 1_pInt, homogState(homog)%sizeState
-      ! do l = 1, size(homogState(homog)%state0(1,:))
-        ! m = m+1_pInt
-        ! write(777,rec=m) homogState(homog)%state0(k,l)
-    ! enddo; enddo
-  ! enddo writeHomogInstances
-  ! close (777)
-
 endif
 
 if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &

src/HDF5_utilities.f90

@@ -178,10 +178,10 @@ end subroutine HDF5_closeJobFile
 !--------------------------------------------------------------------------------------------------
 !> @brief open and initializes HDF5 output file
 !--------------------------------------------------------------------------------------------------
-integer(HID_T) function HDF5_openFile(filePath,mode)
+integer(HID_T) function HDF5_openFile(fileName,mode)
  
  implicit none
- character(len=*), intent(in)           :: filePath
+ character(len=*), intent(in)           :: fileName
  character,        intent(in), optional :: mode
  character                              :: m
  integer :: hdferr
@@ -192,11 +192,14 @@ integer(HID_T) function HDF5_openFile(filePath,mode)
    m = 'r'
  endif
  
- if (m == 'w' .or. m == 'a') then
+ if (   m == 'w') then
-   call h5fopen_f(filePath,H5F_ACC_RDWR_F,HDF5_openFile,hdferr)
+   call h5fcreate_f(fileName,H5F_ACC_TRUNC_F,HDF5_openFile,hdferr)
-   if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_openFile: h5fopen_f (w/a)',el=hdferr)
+   if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_openFile: h5fcreate_f',el=hdferr)
+ elseif(m == 'a') then
+   call h5fopen_f(fileName,H5F_ACC_RDWR_F,HDF5_openFile,hdferr)
+   if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_openFile: h5fopen_f (a)',el=hdferr)
  elseif(m == 'r') then
-   call h5fopen_f(filePath,H5F_ACC_RDONLY_F,HDF5_openFile,hdferr)
+   call h5fopen_f(fileName,H5F_ACC_RDONLY_F,HDF5_openFile,hdferr)
    if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_openFile: h5fopen_f (r)',el=hdferr)
  else
    call IO_error(1_pInt,ext_msg='HDF5_openFile: h5fopen_f unknown access mode',el=hdferr)
@@ -209,15 +212,12 @@ end function HDF5_openFile
 !> @brief close the opened HDF5 output file
 !--------------------------------------------------------------------------------------------------
 subroutine HDF5_closeFile(fileHandle)
- use hdf5
  
  implicit none
  integer :: hdferr
  integer(HID_T), intent(in) :: fileHandle
  call h5fclose_f(fileHandle,hdferr)
  if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_closeFile: h5fclose_f',el=hdferr)
- call h5close_f(hdferr)!############################################################ DANGEROUS
- if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_closeFile: h5close_f',el=hdferr)
 
 end subroutine HDF5_closeFile