writing more results out

src/constitutive.f90

@@ -1085,7 +1085,7 @@ subroutine constitutive_results()
     PLASTICITY_DISLOTWIN_ID, &
     PLASTICITY_DISLOUCLA_ID, &
     PLASTICITY_NONLOCAL_ID
-#if defined(PETSc) || defined(DAMASKHDF5)
+#if defined(PETSc) || defined(DAMASK_HDF5)
   use results
   use HDF5_utilities
   use config, only: &

src/plastic_disloUCLA.f90

@@ -560,23 +560,40 @@ end function plastic_disloUCLA_postResults
 !> @brief writes results to HDF5 output file
 !--------------------------------------------------------------------------------------------------
 subroutine plastic_disloUCLA_results(instance,group)
-#if defined(PETSc) || defined(DAMASKHDF5)
+#if defined(PETSc) || defined(DAMASK_HDF5)
   use results
 
   implicit none
-  integer, intent(in) :: instance
+  integer,          intent(in) :: instance
-  character(len=*) :: group
+  character(len=*), intent(in) :: group
+  
   integer :: o
 
-  associate(prm => param(instance), stt => state(instance))
+  associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
   outputsLoop: do o = 1,size(prm%outputID)
     select case(prm%outputID(o))
+      case (rho_mob_ID)
+        call results_writeDataset(group,stt%rho_mob,'rho_mob',&
+                                 'mobile dislocation density','1/m^2')
+      case (rho_dip_ID)
+        call results_writeDataset(group,stt%rho_dip,'rho_dip',&
+                                  'dislocation dipole density''1/m^2')
+      case (dot_gamma_sl_ID)
+        call results_writeDataset(group,stt%gamma_sl,'dot_gamma_sl',&
+                                  'plastic slip','1')
+      case (Lambda_sl_ID)
+        call results_writeDataset(group,dst%Lambda_sl,'Lambda_sl',&
+                                  'mean free path for slip','m')
+      case (thresholdstress_ID)
+        call results_writeDataset(group,dst%threshold_stress,'threshold_stress',&
+                                  'threshold stress for slip','Pa')
     end select
   enddo outputsLoop
   end associate
+  
 #else
-  integer, intent(in) :: instance
+  integer,          intent(in) :: instance
-  character(len=*) :: group
+  character(len=*), intent(in) :: group
 #endif
 
 end subroutine plastic_disloUCLA_results

src/plastic_isotropic.f90

@@ -409,8 +409,7 @@ subroutine plastic_isotropic_dotState(Mp,instance,of)
       xi_inf_star = prm%xi_inf
     else
       xi_inf_star = prm%xi_inf &
-                  + asinh( (dot_gamma / prm%c_1)**(1.0_pReal / prm%c_2) &
+                  + asinh( (dot_gamma / prm%c_1)**(1.0_pReal / prm%c_2))**(1.0_pReal / prm%c_3) &
-                         )**(1.0_pReal / prm%c_3) &
                      / prm%c_4 * (dot_gamma / prm%dot_gamma_0)**(1.0_pReal / prm%n)
     endif
     dot%xi(of) = dot_gamma &
@@ -469,7 +468,7 @@ function plastic_isotropic_postResults(Mp,instance,of) result(postResults)
         c = c + 1
       case (dot_gamma_ID)
         postResults(c+1) = prm%dot_gamma_0 &
-                              * (sqrt(1.5_pReal) * norm_Mp /(prm%M * stt%xi(of)))**prm%n
+                         * (sqrt(1.5_pReal) * norm_Mp /(prm%M * stt%xi(of)))**prm%n
         c = c + 1
  
     end select
@@ -484,23 +483,27 @@ end function plastic_isotropic_postResults
 !> @brief writes results to HDF5 output file
 !--------------------------------------------------------------------------------------------------
 subroutine plastic_isotropic_results(instance,group)
-#if defined(PETSc) || defined(DAMASKHDF5)
+#if defined(PETSc) || defined(DAMASK_HDF5)
   use results
 
   implicit none
-  integer, intent(in) :: instance
+  integer,          intent(in) :: instance
-  character(len=*) :: group
+  character(len=*), intent(in) :: group
+  
   integer :: o
 
   associate(prm => param(instance), stt => state(instance))
   outputsLoop: do o = 1,size(prm%outputID)
     select case(prm%outputID(o))
+      case (xi_ID)
+        call results_writeDataset(group,stt%xi,'xi','resistance against plastic flow','Pa')
     end select
   enddo outputsLoop
   end associate
+  
 #else
-  integer, intent(in) :: instance
+  integer,          intent(in) :: instance
-  character(len=*) :: group
+  character(len=*), intent(in) :: group
 #endif
 
 end subroutine plastic_isotropic_results

src/plastic_phenopowerlaw.f90

@@ -563,28 +563,34 @@ end function plastic_phenopowerlaw_postResults
 !> @brief writes results to HDF5 output file
 !--------------------------------------------------------------------------------------------------
 subroutine plastic_phenopowerlaw_results(instance,group)
-#if defined(PETSc) || defined(DAMASKHDF5)
+#if defined(PETSc) || defined(DAMASK_HDF5)
- use results
+  use results
 
- implicit none
+  implicit none
- integer, intent(in) :: instance
+  integer,          intent(in) :: instance
- character(len=*) :: group
+  character(len=*), intent(in) :: group
- integer :: o
+  
+  integer :: o
 
- associate(prm => param(instance), stt => state(instance))
+  associate(prm => param(instance), stt => state(instance))
- outputsLoop: do o = 1,size(prm%outputID)
+  outputsLoop: do o = 1,size(prm%outputID)
-   select case(prm%outputID(o))
+    select case(prm%outputID(o))
-     case (resistance_slip_ID)
+      case (resistance_slip_ID)
-       call results_writeVectorDataset(group,stt%xi_slip,'xi_slip','Pa')
+        call results_writeDataset(group,stt%xi_slip,   'xi_slip', &
-     case (accumulatedshear_slip_ID)
+                                  'resistance against plastic slip','Pa')
-       call results_writeVectorDataset(group,stt%gamma_slip,'gamma_slip','-')
+      case (accumulatedshear_slip_ID)
-   end select
+        call results_writeDataset(group,stt%gamma_slip,'gamma_slip', &
- enddo outputsLoop
+                                  'plastic slip','1')
- end associate
+        
+    end select
+  enddo outputsLoop
+  end associate
+  
 #else
- integer, intent(in) :: instance
+  integer,          intent(in) :: instance
- character(len=*) :: group
+  character(len=*), intent(in) :: group
 #endif
+
 end subroutine plastic_phenopowerlaw_results
 
 

src/results.f90

@@ -18,6 +18,13 @@ module results
   integer(HID_T), public, protected :: tempCoordinates, tempResults
   integer(HID_T), private :: resultsFile, currentIncID, plist_id
 
+ interface results_writeDataset
+   module procedure results_writeTensorDataset_real
+   module procedure results_writeTensorDataset_int
+   module procedure results_writeVectorDataset_real
+   module procedure results_writeVectorDataset_int
+   module procedure results_writeScalarDataset_real
+ end interface results_writeDataset
 
   public :: &
     results_init, &
@@ -26,8 +33,9 @@ module results
     results_addIncrement, &
     results_addGroup, &
     results_openGroup, &
-    results_writeVectorDataset, &
+    results_writeDataset, &
     results_setLink, &
+    results_addAttribute, &
     results_removeLink
 contains
 
@@ -36,13 +44,21 @@ subroutine results_init
     getSolverJobName
 
   implicit none
+  character(len=pStringLen) :: commandLine
 
   write(6,'(/,a)') ' <<<+-  results init  -+>>>'
 
   write(6,'(/,a)') ' Diehl et al., Integrating Materials and Manufacturing Innovation 6(1):83–91, 2017'
   write(6,'(a)')   ' https://doi.org/10.1007/s40192-018-0118-7'
 
-  call HDF5_closeFile(HDF5_openFile(trim(getSolverJobName())//'.hdf5','w',.true.))
+  resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','w',.true.)
+  call HDF5_addAttribute(resultsFile,'DADF5-version',0.1)
+  call HDF5_addAttribute(resultsFile,'DADF5-major',0)
+  call HDF5_addAttribute(resultsFile,'DADF5-minor',1)
+  call HDF5_addAttribute(resultsFile,'DAMASK',DAMASKVERSION)
+  call get_command(commandLine)
+  call HDF5_addAttribute(resultsFile,'call',trim(commandLine))
+  call HDF5_closeFile(resultsFile)
 
 end subroutine results_init
 
@@ -50,18 +66,13 @@ end subroutine results_init
 !--------------------------------------------------------------------------------------------------
 !> @brief opens the results file to append data
 !--------------------------------------------------------------------------------------------------
-subroutine results_openJobFile()
+subroutine results_openJobFile
  use DAMASK_interface, only: &
    getSolverJobName
 
  implicit none
- character(len=pStringLen) :: commandLine
 
  resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','a',.true.)
- call HDF5_addAttribute(resultsFile,'DADF5',0.1_pReal)
- call HDF5_addAttribute(resultsFile,'DAMASK',DAMASKVERSION)
- call get_command(commandLine)
- call HDF5_addAttribute(resultsFile,'call',trim(commandLine))
  
 end subroutine results_openJobFile
 
@@ -69,7 +80,7 @@ end subroutine results_openJobFile
 !--------------------------------------------------------------------------------------------------
 !> @brief closes the results file
 !--------------------------------------------------------------------------------------------------
-subroutine results_closeJobFile()
+subroutine results_closeJobFile
  implicit none
 
  call HDF5_closeFile(resultsFile)
@@ -87,7 +98,7 @@ subroutine results_addIncrement(inc,time)
  real(pReal),   intent(in) :: time
  character(len=pStringLen) :: incChar
 
- write(incChar,*) inc
+ write(incChar,'(i5.5)') inc                                                                        ! allow up to 99999 increments
  call HDF5_closeGroup(results_addGroup(trim('inc'//trim(adjustl(incChar)))))
  call results_setLink(trim('inc'//trim(adjustl(incChar))),'current')
  call HDF5_addAttribute(resultsFile,'time/s',time,trim('inc'//trim(adjustl(incChar))))
@@ -135,6 +146,19 @@ subroutine results_setLink(path,link)
 end subroutine results_setLink
 
 
+!--------------------------------------------------------------------------------------------------
+!> @brief adds an attribute to an object
+!--------------------------------------------------------------------------------------------------
+subroutine results_addAttribute(attrLabel,attrValue,path)
+
+ implicit none
+ character(len=*), intent(in)  :: attrLabel, attrValue, path
+
+ call HDF5_addAttribute_str(resultsFile,attrLabel, attrValue, path)
+
+end subroutine results_addAttribute
+
+
 !--------------------------------------------------------------------------------------------------
 !> @brief remove link to an object
 !--------------------------------------------------------------------------------------------------
@@ -151,23 +175,138 @@ subroutine results_removeLink(link)
 end subroutine results_removeLink
 
 
+!--------------------------------------------------------------------------------------------------
+!> @brief stores a scalar dataset in a group
+!--------------------------------------------------------------------------------------------------
+subroutine results_writeScalarDataset_real(group,dataset,label,description,SIunit)
+
+  implicit none
+  character(len=*), intent(in)                  :: label,group,description
+  character(len=*), intent(in),    optional     :: SIunit
+  real(pReal),      intent(inout), dimension(:) :: dataset
+  
+  integer(HID_T) :: groupHandle
+ 
+  groupHandle = results_openGroup(group)
+  
+#ifdef PETSc
+  call HDF5_write(groupHandle,dataset,label,.true.)
+#endif
+  
+  if (HDF5_objectExists(groupHandle,label)) &
+    call HDF5_addAttribute(groupHandle,'Description',description,label)
+  if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
+    call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
+  call HDF5_closeGroup(groupHandle)
+
+end subroutine results_writeScalarDataset_real
+
 !--------------------------------------------------------------------------------------------------
 !> @brief stores a vector dataset in a group
 !--------------------------------------------------------------------------------------------------
-subroutine results_writeVectorDataset(group,dataset,label,SIunit)
+subroutine results_writeVectorDataset_real(group,dataset,label,description,SIunit)
 
- implicit none
+  implicit none
- character(len=*), intent(in)                 :: SIunit,label,group
+  character(len=*), intent(in)                    :: label,group,description
- real(pReal),      intent(inout), dimension(:,:) :: dataset
+  character(len=*), intent(in),    optional       :: SIunit
- integer(HID_T)        :: groupHandle
+  real(pReal),      intent(inout), dimension(:,:) :: dataset
+  
+  integer(HID_T) :: groupHandle
  
- groupHandle = results_openGroup(group)
+  groupHandle = results_openGroup(group)
- call HDF5_write(groupHandle,dataset,label)
+  
- if (HDF5_objectExists(groupHandle,label)) &
+#ifdef PETSc
-   call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
+  call HDF5_write(groupHandle,dataset,label,.true.)
- call HDF5_closeGroup(groupHandle)
+#endif
+  
+  if (HDF5_objectExists(groupHandle,label)) &
+    call HDF5_addAttribute(groupHandle,'Description',description,label)
+  if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
+    call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
+  call HDF5_closeGroup(groupHandle)
 
-end subroutine results_writeVectorDataset
+end subroutine results_writeVectorDataset_real
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief stores a tensor dataset in a group
+!--------------------------------------------------------------------------------------------------
+subroutine results_writeTensorDataset_real(group,dataset,label,description,SIunit)
+
+  implicit none
+  character(len=*), intent(in)                      :: label,group,description
+  character(len=*), intent(in), optional            :: SIunit
+  real(pReal),      intent(inout), dimension(:,:,:) :: dataset
+  
+  integer(HID_T) :: groupHandle
+ 
+  groupHandle = results_openGroup(group)
+  
+#ifdef PETSc
+  call HDF5_write(groupHandle,dataset,label,.true.)
+#endif
+  
+  if (HDF5_objectExists(groupHandle,label)) &
+    call HDF5_addAttribute(groupHandle,'Description',description,label)
+  if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
+    call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
+  call HDF5_closeGroup(groupHandle)
+
+end subroutine results_writeTensorDataset_real
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief stores a vector dataset in a group
+!--------------------------------------------------------------------------------------------------
+subroutine results_writeVectorDataset_int(group,dataset,label,description,SIunit)
+
+  implicit none
+  character(len=*), intent(in)                :: label,group,description
+  character(len=*), intent(in), optional      :: SIunit
+  integer,      intent(inout), dimension(:,:) :: dataset
+  
+  integer(HID_T) :: groupHandle
+ 
+  groupHandle = results_openGroup(group)
+  
+#ifdef PETSc
+  call HDF5_write(groupHandle,dataset,label,.true.)
+#endif
+  
+  if (HDF5_objectExists(groupHandle,label)) &
+    call HDF5_addAttribute(groupHandle,'Description',description,label)
+  if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
+    call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
+  call HDF5_closeGroup(groupHandle)
+
+end subroutine results_writeVectorDataset_int
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief stores a vector dataset in a group
+!--------------------------------------------------------------------------------------------------
+subroutine results_writeTensorDataset_int(group,dataset,label,description,SIunit)
+
+  implicit none
+  character(len=*), intent(in)                  :: label,group,description
+  character(len=*), intent(in), optional        :: SIunit
+  integer,      intent(inout), dimension(:,:,:) :: dataset
+  
+  integer(HID_T) :: groupHandle
+ 
+  groupHandle = results_openGroup(group)
+  
+#ifdef PETSc
+  call HDF5_write(groupHandle,dataset,label,.true.)
+#endif
+  
+  if (HDF5_objectExists(groupHandle,label)) &
+    call HDF5_addAttribute(groupHandle,'Description',description,label)
+  if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
+    call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
+  call HDF5_closeGroup(groupHandle)
+
+end subroutine results_writeTensorDataset_int
 
 
 !--------------------------------------------------------------------------------------------------