Merge branch 'development' into DisloUCLA-Names-as-in-paper

PRIVATE

@@ -1 +1 @@
-Subproject commit 5272b99b734600fbd1538b32fbcbbbb5e3dbcd30
+Subproject commit d81a446bdfaa2bc3c939e802c50a5fd8f2fb38e3

VERSION

@@ -1 +1 @@
-v2.0.2-2095-g19aa87ae
+v2.0.2-2113-gb6dff537

installation/patch/README.md

@@ -11,8 +11,8 @@ patch -p1 < installation/patch/nameOfPatch
 
 ## Available patches
 
-  * **fwbw_derivative** switches the default spatial derivative from continuous to forward/backward difference.  
+  * **disable_HDF5** disables all HDF5 output.
-    This generally reduces spurious oscillations in the result as the spatial accuracy of the derivative is then compatible with the underlying solution grid.
+    HDF5 output is an experimental feature. Also, some routines not present in HDF5 1.8.x are remove to allow compilation of DAMASK with HDF5 < 1.10.x
 
 ## Create patch
 commit your changes

installation/patch/disable_HDF5

@@ -0,0 +1,57 @@
+diff --git a/src/DAMASK_grid.f90 b/src/DAMASK_grid.f90
+index 496bfd0d..7b0f499c 100644
+--- a/src/DAMASK_grid.f90
++++ b/src/DAMASK_grid.f90
+@@ -75,7 +75,6 @@ program DAMASK_spectral
+  use grid_mech_spectral_polarisation
+  use grid_damage_spectral
+  use grid_thermal_spectral
+- use results
+ 
+  implicit none
+ 
+@@ -153,8 +152,6 @@ program DAMASK_spectral
+  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'
+ 
+- call results_openJobFile()
+- call results_closeJobFile()
+ !--------------------------------------------------------------------------------------------------
+ ! initialize field solver information
+  nActiveFields = 1
+@@ -595,7 +592,6 @@ 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(totalIncsCounter,time)
+        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
+diff --git a/src/HDF5_utilities.f90 b/src/HDF5_utilities.f90
+index a81aaee0..3d3cdee3 100644
+--- a/src/HDF5_utilities.f90
++++ b/src/HDF5_utilities.f90
+@@ -197,7 +197,6 @@ integer(HID_T) function HDF5_addGroup(fileHandle,groupName)
+  !-------------------------------------------------------------------------------------------------
+  ! setting I/O mode to collective
+ #ifdef PETSc
+- call h5pset_all_coll_metadata_ops_f(aplist_id, .true., hdferr)
+  if (hdferr < 0) call IO_error(1_pInt,ext_msg = 'HDF5_addGroup: h5pset_all_coll_metadata_ops_f ('//trim(groupName)//')')
+ #endif
+  
+@@ -232,7 +231,6 @@ integer(HID_T) function HDF5_openGroup(fileHandle,groupName)
+  !-------------------------------------------------------------------------------------------------
+  ! setting I/O mode to collective
+ #ifdef PETSc
+- call h5pget_all_coll_metadata_ops_f(aplist_id, is_collective, hdferr)
+  if (hdferr < 0) call IO_error(1_pInt,ext_msg = 'HDF5_openGroup: h5pset_all_coll_metadata_ops_f ('//trim(groupName)//')')
+ #endif
+  
+@@ -1646,7 +1644,6 @@ subroutine initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_
+  call h5pcreate_f(H5P_DATASET_ACCESS_F, aplist_id, hdferr) 
+   if (hdferr < 0) call IO_error(1_pInt,ext_msg='initialize_read: h5pcreate_f')
+ #ifdef PETSc
+- call h5pset_all_coll_metadata_ops_f(aplist_id, .true., hdferr)
+  if (hdferr < 0) call IO_error(1_pInt,ext_msg='initialize_read: h5pset_all_coll_metadata_ops_f')
+ #endif
+ 

src/constitutive.f90

@@ -1042,40 +1042,34 @@ function constitutive_postResults(S, Fi, ipc, ip, el)
  startPos = 1_pInt
  endPos = plasticState(material_phase(ipc,ip,el))%sizePostResults
 
+ of = phasememberAt(ipc,ip,el)
+ instance = phase_plasticityInstance(material_phase(ipc,ip,el))
+
  plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el)))
    case (PLASTICITY_ISOTROPIC_ID) plasticityType
-     of = phasememberAt(ipc,ip,el)
-     instance = phase_plasticityInstance(material_phase(ipc,ip,el))
      constitutive_postResults(startPos:endPos) = &
        plastic_isotropic_postResults(Mp,instance,of)
 
    case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
-     of = phasememberAt(ipc,ip,el)
-     instance = phase_plasticityInstance(material_phase(ipc,ip,el))
      constitutive_postResults(startPos:endPos) = &
        plastic_phenopowerlaw_postResults(Mp,instance,of)
 
    case (PLASTICITY_KINEHARDENING_ID) plasticityType
-     of = phasememberAt(ipc,ip,el)
-     instance = phase_plasticityInstance(material_phase(ipc,ip,el))
      constitutive_postResults(startPos:endPos) = &
        plastic_kinehardening_postResults(Mp,instance,of)
 
    case (PLASTICITY_DISLOTWIN_ID) plasticityType
-     of = phasememberAt(ipc,ip,el)
-     instance = phase_plasticityInstance(material_phase(ipc,ip,el))
      constitutive_postResults(startPos:endPos) = &
        plastic_dislotwin_postResults(Mp,temperature(ho)%p(tme),instance,of)
 
    case (PLASTICITY_DISLOUCLA_ID) plasticityType
-     of = phasememberAt(ipc,ip,el)
-     instance = phase_plasticityInstance(material_phase(ipc,ip,el))
      constitutive_postResults(startPos:endPos) = &
        plastic_disloucla_postResults(Mp,temperature(ho)%p(tme),instance,of)
 
    case (PLASTICITY_NONLOCAL_ID) plasticityType
      constitutive_postResults(startPos:endPos) = &
-       plastic_nonlocal_postResults (Mp,ip,el)
+       plastic_nonlocal_postResults (material_phase(ipc,ip,el),instance,of)
+
  end select plasticityType
 
  SourceLoop: do i = 1_pInt, phase_Nsources(material_phase(ipc,ip,el))

src/math.f90

@@ -1895,7 +1895,7 @@ real(pReal) function math_sampleGaussVar(meanvalue, stddev, width)
    myWidth = merge(width,3.0_pReal,present(width))                                                  ! use +-3*sigma as default value for scatter if not given
   
    do
-     rnd = halton([6,2])
+     call random_number(rnd)
      scatter = myWidth * (2.0_pReal * rnd(1) - 1.0_pReal)
      if (rnd(2) <= exp(-0.5_pReal * scatter ** 2.0_pReal)) exit                                     ! test if scattered value is drawn
    enddo