Merge branch '260-remove-debug-yaml-assocciated-code-tests' into 'development'

debug.yaml causes more work than it saves

Closes #260

See merge request damask/DAMASK!717

examples/config/debug.yaml

@@ -1,12 +0,0 @@
-phase: [basic, extensive, selective]
-materialpoint: [basic, extensive, selective]
-
-# options for selective debugging
-element: 1
-integrationpoint: 1
-constituent: 1
-
-# solver-specific
-mesh: [PETSc]
-grid: [basic, rotation, PETSc]
-Marc: [basic]

src/CLI.f90

@@ -130,7 +130,7 @@ subroutine CLI_init
         print'(a)',  '        Make sure the file "material.yaml" exists in the working'
         print'(a)',  '            directory.'
         print'(a)',  '        For further configuration place "numerics.yaml"'
-        print'(a)','            and "debug.yaml" in that directory.'
+        print'(a)','              in that directory.'
         print'(/,a)','   --restart N'
         print'(a)',  '        Reads in increment N and continues with calculating'
         print'(a)',  '            increment N+1, N+2, ... based on this.'

src/IO.f90

@@ -484,8 +484,6 @@ subroutine IO_error(error_ID,ext_msg,label1,ID1,label2,ID2)
 
 !--------------------------------------------------------------------------------------------------
 ! user errors
-    case (602)
-      msg = 'invalid selection for debug'
     case (603)
       msg = 'invalid data for table'
 

src/Marc/DAMASK_Marc.f90

@@ -282,34 +282,15 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
   logical, save :: &
     lastIncConverged  = .false., &                                                                  !< needs description
     outdatedByNewInc  = .false., &                                                                  !< needs description
-    materialpoint_init_done   = .false., &                                                          !< remember whether init has been done already
+    materialpoint_init_done   = .false.                                                             !< remember whether init has been done already
-    debug_basic       = .true.
-  type(tList), pointer :: &
-    debug_Marc                                                                                      ! pointer to Marc debug options
 
-  if (debug_basic) then
-    print'(a,/,i8,i8,i2)', ' MSC.Marc information on shape of element(2), IP:', m, nn
-    print'(a,2(i1))',      ' Jacobian:                      ', ngens,ngens
-    print'(a,i1)',         ' Direct stress:                 ', ndi
-    print'(a,i1)',         ' Shear stress:                  ', nshear
-    print'(a,i2)',         ' DoF:                           ', ndeg
-    print'(a,i2)',         ' Coordinates:                   ', ncrd
-    print'(a,i12)',        ' Nodes:                         ', nnode
-    print'(a,i1)',         ' Deformation gradient:          ', itel
-    write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' Deformation gradient at t=n:', &
-                                  transpose(ffn)
-    write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' Deformation gradient at t=n+1:', &
-                                  transpose(ffn1)
-  end if
 
   defaultNumThreadsInt = omp_get_num_threads()                                                      ! remember number of threads set by Marc
   call omp_set_num_threads(1_pI32)                                                                  ! no openMP
 
   if (.not. materialpoint_init_done) then
     materialpoint_init_done = .true.
-    call materialpoint_initAll
+    call materialpoint_initAll()
-    debug_Marc => config_debug%get_list('Marc',defaultVal=emptyList)
-    debug_basic = debug_Marc%contains('basic')
   end if
 
   computationMode = 0                                                                               ! save initialization value, since it does not result in any calculation

src/Marc/discretization_Marc.f90

@@ -59,8 +59,7 @@ subroutine discretization_Marc_init
   integer,     dimension(:),       allocatable :: &
     materialAt
   integer:: &
-    Nelems, &                                                                                       !< total number of elements in the mesh
+    Nelems                                                                                          !< total number of elements in the mesh
-    debug_e, debug_i
 
   real(pReal), dimension(:,:),     allocatable :: &
     IP_reshaped
@@ -75,9 +74,6 @@ subroutine discretization_Marc_init
 
   print'(/,a)', ' <<<+-  discretization_Marc init  -+>>>'; flush(6)
 
-  debug_e = config_debug%get_asInt('element',defaultVal=1)
-  debug_i = config_debug%get_asInt('integrationpoint',defaultVal=1)
-
   num_commercialFEM => config_numerics%get_dict('commercialFEM',defaultVal = emptyDict)
   mesh_unitlength = num_commercialFEM%get_asFloat('unitlength',defaultVal=1.0_pReal)                ! set physical extent of a length unit in mesh
   if (mesh_unitlength <= 0.0_pReal) call IO_error(301,'unitlength')
@@ -85,9 +81,6 @@ subroutine discretization_Marc_init
   call inputRead(elem,node0_elem,connectivity_elem,materialAt)
   nElems = size(connectivity_elem,2)
 
-  if (debug_e < 1 .or. debug_e > nElems)    call IO_error(602,'element')
-  if (debug_i < 1 .or. debug_i > elem%nIPs) call IO_error(602,'IP')
-
   allocate(cellNodeDefinition(elem%nNodes-1))
   allocate(connectivity_cell(elem%NcellNodesPerCell,elem%nIPs,nElems))
 

src/Marc/materialpoint_Marc.f90

@@ -50,18 +50,6 @@ module materialpoint_Marc
 
   type(tNumerics), private :: num
 
-  type, private :: tDebugOptions
-    logical :: &
-      basic, &
-      extensive, &
-      selective
-    integer:: &
-      element, &
-      ip
-  end type tDebugOptions
-
-  type(tDebugOptions), private :: debugmaterialpoint
-
   public :: &
     materialpoint_general, &
     materialpoint_initAll, &
@@ -99,36 +87,16 @@ end subroutine materialpoint_initAll
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief allocate the arrays defined in module materialpoint and initialize them
+!> @brief Allocate the arrays defined in module materialpoint and initialize them.
 !--------------------------------------------------------------------------------------------------
 subroutine materialpoint_init()
 
-  type(tList), pointer :: &
-    debug_materialpoint
-
-
   print'(/,1x,a)', '<<<+-  materialpoint init  -+>>>'; flush(IO_STDOUT)
 
   allocate(materialpoint_cs(               6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal)
   allocate(materialpoint_dcsdE(          6,6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal)
   allocate(materialpoint_dcsdE_knownGood(6,6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal)
 
-!------------------------------------------------------------------------------
-! read debug options
-
-  debug_materialpoint => config_debug%get_list('materialpoint',defaultVal=emptyList)
-  debugmaterialpoint%basic     = debug_materialpoint%contains('basic')
-  debugmaterialpoint%extensive = debug_materialpoint%contains('extensive')
-  debugmaterialpoint%selective = debug_materialpoint%contains('selective')
-  debugmaterialpoint%element   = config_debug%get_asInt('element',defaultVal = 1)
-  debugmaterialpoint%ip        = config_debug%get_asInt('integrationpoint',defaultVal = 1)
-
-  if (debugmaterialpoint%basic) then
-    print'(a32,1x,6(i8,1x))',   'materialpoint_cs:              ', shape(materialpoint_cs)
-    print'(a32,1x,6(i8,1x))',   'materialpoint_dcsdE:           ', shape(materialpoint_dcsdE)
-    print'(a32,1x,6(i8,1x),/)', 'materialpoint_dcsdE_knownGood: ', shape(materialpoint_dcsdE_knownGood)
-    flush(IO_STDOUT)
-  end if
 
 end subroutine materialpoint_init
 
@@ -164,16 +132,6 @@ subroutine materialpoint_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip,
   elCP = discretization_Marc_FEM2DAMASK_elem(elFE)
   ce   = discretization_Marc_FEM2DAMASK_cell(ip,elFE)
 
-  if (debugmaterialpoint%basic .and. elCP == debugmaterialpoint%element .and. ip == debugmaterialpoint%ip) then
-    print'(/,a)', '#############################################'
-    print'(a1,a22,1x,i8,a13)',   '#','element',        elCP,         '#'
-    print'(a1,a22,1x,i8,a13)',   '#','ip',             ip,           '#'
-    print'(a1,a22,1x,i8,a13)',   '#','cycleCounter',   cycleCounter, '#'
-    print'(a1,a22,1x,i8,a13)',   '#','computationMode',mode,         '#'
-    if (terminallyIll) &
-    print'(a,/)', '#           --- terminallyIll ---           #'
-    print'(a,/)', '#############################################'; flush (6)
-  end if
 
   if (iand(mode, materialpoint_BACKUPJACOBIAN) /= 0) &
     materialpoint_dcsde_knownGood = materialpoint_dcsde
@@ -194,7 +152,6 @@ subroutine materialpoint_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip,
       materialpoint_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_eye(6)
 
     else validCalculation
-      if (debugmaterialpoint%extensive)  print'(a,i8,1x,i2)', '<< materialpoint >> calculation for elFE ip ',elFE,ip
       call homogenization_mechanical_response(dt,(elCP-1)*discretization_nIPs + ip,(elCP-1)*discretization_nIPs + ip)
       if (.not. terminallyIll) &
         call homogenization_mechanical_response2(dt,[ip,ip],[elCP,elCP])
@@ -232,15 +189,6 @@ subroutine materialpoint_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip,
       end if terminalIllness
     end if validCalculation
 
-    if (debugmaterialpoint%extensive &
-        .and. ((debugmaterialpoint%element == elCP .and. debugmaterialpoint%ip == ip) .or. .not. debugmaterialpoint%selective)) then
-        print'(a,i8,1x,i2,/,12x,6(f10.3,1x)/)', &
-          '<< materialpoint >> stress/MPa at elFE ip ',   elFE, ip, materialpoint_cs(1:6,ip,elCP)*1.0e-6_pReal
-        print'(a,i8,1x,i2,/,6(12x,6(f10.3,1x)/))', &
-          '<< materialpoint >> Jacobian/GPa at elFE ip ', elFE, ip, transpose(materialpoint_dcsdE(1:6,1:6,ip,elCP))*1.0e-9_pReal
-        flush(IO_STDOUT)
-    end if
-
   end if
 
   if (all(abs(materialpoint_dcsdE(1:6,1:6,ip,elCP)) < 1e-10_pReal)) &

src/config.f90

@@ -1,6 +1,6 @@
 !--------------------------------------------------------------------------------------------------
 !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
-!> @brief Read in the configuration of material, numerics, and debug from their respective file
+!> @brief Read in the material and numerics configuration from their respective file.
 !--------------------------------------------------------------------------------------------------
 module config
   use IO
@@ -14,8 +14,7 @@ module config
 
   type(tDict), pointer, public :: &
     config_material, &
-    config_numerics, &
+    config_numerics
-    config_debug
 
   public :: &
     config_init, &
@@ -24,7 +23,7 @@ module config
 contains
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Real *.yaml configuration files.
+!> @brief Read *.yaml configuration files.
 !--------------------------------------------------------------------------------------------------
 subroutine config_init()
 
@@ -32,7 +31,6 @@ subroutine config_init()
 
   call parse_material()
   call parse_numerics()
-  call parse_debug()
 
 end subroutine config_init
 
@@ -95,41 +93,9 @@ subroutine parse_numerics()
 end subroutine parse_numerics
 
 
-!--------------------------------------------------------------------------------------------------
-!> @brief Read debug.yaml.
-!--------------------------------------------------------------------------------------------------
-subroutine parse_debug()
-
-  logical :: fileExists
-  character(len=:), allocatable :: fileContent
-
-
-  config_debug => emptyDict
-
-  inquire(file='debug.yaml', exist=fileExists)
-  if (fileExists) then
-
-    if (worldrank == 0) then
-      print'(1x,a)', 'reading debug.yaml'; flush(IO_STDOUT)
-      fileContent = IO_read('debug.yaml')
-      if (len(fileContent) > 0) then
-        call result_openJobFile(parallel=.false.)
-        call result_writeDataset_str(fileContent,'setup','debug.yaml','debug configuration')
-        call result_closeJobFile
-      end if
-    end if
-    call parallelization_bcast_str(fileContent)
-
-    config_debug => YAML_parse_str_asDict(fileContent)
-
-  end if
-
-end subroutine parse_debug
-
-
 !--------------------------------------------------------------------------------------------------
 !> @brief Deallocate config_material.
-!ToDo: deallocation of numerics and debug (optional)
+!ToDo: deallocation of numerics (optional)
 !--------------------------------------------------------------------------------------------------
 subroutine config_deallocate
 

src/grid/discretization_grid.f90

@@ -65,8 +65,7 @@ subroutine discretization_grid_init(restart)
     materialAt, materialAt_global
 
   integer :: &
-    j, &
+    j
-    debug_element, debug_ip
   integer(MPI_INTEGER_KIND) :: err_MPI
   integer(C_INTPTR_T) :: &
     devNull, z, z_offset
@@ -163,13 +162,6 @@ subroutine discretization_grid_init(restart)
   call geometry_plastic_nonlocal_setIPareaNormal  (cellSurfaceNormal(product(myGrid)))
   call geometry_plastic_nonlocal_setIPneighborhood(IPneighborhood(myGrid))
 
-!-------------------------------------------------------------------------------------------------
-! debug parameters
-  debug_element = config_debug%get_asInt('element',defaultVal=1)
-  if (debug_element < 1 .or. debug_element > product(myGrid)) call IO_error(602,ext_msg='element')
-  debug_ip      = config_debug%get_asInt('integrationpoint',defaultVal=1)
-  if (debug_ip /= 1)                                          call IO_error(602,ext_msg='IP')
-
 end subroutine discretization_grid_init
 
 

src/grid/grid_mech_FEM.f90

@@ -50,8 +50,6 @@ module grid_mechanical_FEM
 
   type(tNumerics) :: num                                                                            ! numerics parameters. Better name?
 
-  logical :: debugRotation
-
 !--------------------------------------------------------------------------------------------------
 ! PETSc data
   DM   :: mechanical_grid
@@ -121,19 +119,12 @@ subroutine grid_mechanical_FEM_init
   integer(HID_T) :: fileHandle, groupHandle
   type(tDict), pointer :: &
     num_grid
-  type(tList), pointer :: &
-    debug_grid
   character(len=pStringLen) :: &
     extmsg = ''
 
 
   print'(/,1x,a)', '<<<+-  grid_mechanical_FEM init  -+>>>'; flush(IO_STDOUT)
 
-!-------------------------------------------------------------------------------------------------
-! debugging options
-  debug_grid => config_debug%get_list('grid',defaultVal=emptyList)
-  debugRotation = debug_grid%contains('rotation')
-
 !-------------------------------------------------------------------------------------------------
 ! read numerical parameters and do sanity checks
   num_grid => config_numerics%get_dict('grid',defaultVal=emptyDict)
@@ -565,7 +556,8 @@ subroutine formResidual(da_local,x_local, &
   newIteration: if (totalIter <= PETScIter) then
     totalIter = totalIter + 1
     print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter+1, '≤', num%itmax
-    if (debugRotation) print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
+    if (any(dNeq(params%rotation_BC%asQuaternion(), real([1.0, 0.0, 0.0, 0.0],pReal)))) &
+      print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
       'deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
     print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
       'deformation gradient aim       =', transpose(F_aim)

src/grid/grid_mech_spectral_basic.f90

@@ -49,8 +49,6 @@ module grid_mechanical_spectral_basic
 
   type(tNumerics) :: num                                                                            ! numerics parameters. Better name?
 
-  logical :: debugRotation
-
 !--------------------------------------------------------------------------------------------------
 ! PETSc data
   DM   :: da
@@ -117,8 +115,6 @@ subroutine grid_mechanical_spectral_basic_init()
   integer(HID_T) :: fileHandle, groupHandle
   type(tDict), pointer :: &
     num_grid
-  type(tList), pointer :: &
-    debug_grid
   character(len=pStringLen) :: &
     extmsg = ''
 
@@ -131,11 +127,6 @@ subroutine grid_mechanical_spectral_basic_init()
   print'(  1x,a)', 'P. Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
   print'(  1x,a)', 'https://doi.org/10.1016/j.ijplas.2014.02.006'
 
-!-------------------------------------------------------------------------------------------------
-! debugging options
-  debug_grid => config_debug%get_list('grid',defaultVal=emptyList)
-  debugRotation = debug_grid%contains('rotation')
-
 !-------------------------------------------------------------------------------------------------
 ! read numerical parameters and do sanity checks
   num_grid => config_numerics%get_dict('grid',defaultVal=emptyDict)
@@ -518,7 +509,8 @@ subroutine formResidual(residual_subdomain, F, &
   newIteration: if (totalIter <= PETScIter) then
     totalIter = totalIter + 1
     print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter, '≤', num%itmax
-    if (debugRotation) print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
+    if (any(dNeq(params%rotation_BC%asQuaternion(), real([1.0, 0.0, 0.0, 0.0],pReal)))) &
+      print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
       'deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
     print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
       'deformation gradient aim       =', transpose(F_aim)

src/grid/grid_mech_spectral_polarisation.f90

@@ -54,8 +54,6 @@ module grid_mechanical_spectral_polarisation
 
   type(tNumerics) :: num                                                                            ! numerics parameters. Better name?
 
-  logical :: debugRotation
-
 !--------------------------------------------------------------------------------------------------
 ! PETSc data
   DM   :: da
@@ -130,8 +128,6 @@ subroutine grid_mechanical_spectral_polarisation_init()
   integer(HID_T) :: fileHandle, groupHandle
   type(tDict), pointer :: &
     num_grid
-  type(tList), pointer :: &
-    debug_grid
   character(len=pStringLen) :: &
     extmsg = ''
 
@@ -141,10 +137,6 @@ subroutine grid_mechanical_spectral_polarisation_init()
   print'(/,1x,a)', 'P. Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
   print'(  1x,a)', 'https://doi.org/10.1016/j.ijplas.2014.02.006'
 
-!-------------------------------------------------------------------------------------------------
-! debugging options
-  debug_grid => config_debug%get_list('grid',defaultVal=emptyList)
-  debugRotation = debug_grid%contains('rotation')
 
 !-------------------------------------------------------------------------------------------------
 ! read numerical parameters and do sanity checks
@@ -595,7 +587,8 @@ subroutine formResidual(residual_subdomain, FandF_tau, &
   newIteration: if (totalIter <= PETScIter) then
     totalIter = totalIter + 1
     print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter, '≤', num%itmax
-    if (debugRotation) print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
+    if (any(dNeq(params%rotation_BC%asQuaternion(), real([1.0, 0.0, 0.0, 0.0],pReal)))) &
+      print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
       'deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
     print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
       'deformation gradient aim       =', transpose(F_aim)

src/grid/spectral_utilities.f90

@@ -64,13 +64,6 @@ module spectral_utilities
     planScalarForth, &                                                                              !< FFTW MPI plan s(x) to s(k)
     planScalarBack                                                                                  !< FFTW MPI plan s(k) to s(x)
 
-!--------------------------------------------------------------------------------------------------
-! variables controlling debugging
-  logical :: &
-    debugGeneral, &                                                                                 !< general debugging of spectral solver
-    debugRotation, &                                                                                !< also printing out results in lab frame
-    debugPETSc                                                                                      !< use some in debug defined options for more verbose PETSc solution
-
 !--------------------------------------------------------------------------------------------------
 ! derived types
   type, public :: tSolutionState                                                                    !< return type of solution from spectral solver variants
@@ -131,12 +124,7 @@ module spectral_utilities
 contains
 
 !--------------------------------------------------------------------------------------------------
-!> @brief allocates all neccessary fields, sets debug flags, create plans for FFTW
+!> @brief Allocate all neccessary fields and create plans for FFTW.
-!> @details Sets the debug levels for general, divergence, restart, and FFTW from the bitwise coding
-!> provided by the debug module to logicals.
-!> Allocate all fields used by FFTW and create the corresponding plans depending on the debug
-!> level chosen.
-!> Initializes FFTW.
 !--------------------------------------------------------------------------------------------------
 subroutine spectral_utilities_init()
 
@@ -157,12 +145,8 @@ subroutine spectral_utilities_init()
   integer(C_INTPTR_T), parameter :: &
     vectorSize = 3_C_INTPTR_T, &
     tensorSize = 9_C_INTPTR_T
-  character(len=*), parameter :: &
-    PETSCDEBUG = ' -snes_view -snes_monitor '
   type(tDict) , pointer :: &
     num_grid
-  type(tList) , pointer :: &
-    debug_grid
 
 
   print'(/,1x,a)', '<<<+-  spectral_utilities init  -+>>>'
@@ -179,25 +163,10 @@ subroutine spectral_utilities_init()
   print'(  1x,a)', 'P. Shanthraj et al., Handbook of Mechanics of Materials, 2019'
   print'(  1x,a)', 'https://doi.org/10.1007/978-981-10-6855-3_80'
 
-!--------------------------------------------------------------------------------------------------
+
-! set debugging parameters
   num_grid  => config_numerics%get_dict('grid',defaultVal=emptyDict)
-
-  debug_grid      => config_debug%get_List('grid',defaultVal=emptyList)
-  debugGeneral    =  debug_grid%contains('basic')
-  debugRotation   =  debug_grid%contains('rotation')
-  debugPETSc      =  debug_grid%contains('PETSc')
-
-  if (debugPETSc) print'(3(/,1x,a),/)', &
-                 'Initializing PETSc with debug options: ', &
-                 trim(PETScDebug), &
-                 'add more using the "PETSc_options" keyword in numerics.yaml'
-  flush(IO_STDOUT)
-
   call PetscOptionsClear(PETSC_NULL_OPTIONS,err_PETSc)
   CHKERRQ(err_PETSc)
-  if (debugPETSc) call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(PETSCDEBUG),err_PETSc)
-  CHKERRQ(err_PETSc)
   call PetscOptionsInsertString(PETSC_NULL_OPTIONS,&
                                 num_grid%get_asString('PETSc_options',defaultVal=''),err_PETSc)
   CHKERRQ(err_PETSc)
@@ -704,13 +673,6 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
   if (size_reduced > 0) then
     temp99_real = math_3333to99(rot_BC%rotate(C))
 
-    if (debugGeneral) then
-      print'(/,1x,a)', '... updating masked compliance ............................................'
-      print'(/,1x,a,/,8(9(2x,f12.7,1x)/),9(2x,f12.7,1x))', &
-        'Stiffness C (load) / GPa =', transpose(temp99_Real)*1.0e-9_pReal
-      flush(IO_STDOUT)
-    end if
-
     do i = 1,9; do j = 1,9
       mask(i,j) = mask_stressVector(i) .and. mask_stressVector(j)
     end do; end do
@@ -724,7 +686,7 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
 ! check if inversion was successful
     sTimesC = matmul(c_reduced,s_reduced)
     errmatinv = errmatinv .or. any(dNeq(sTimesC,math_eye(size_reduced),1.0e-12_pReal))
-    if (debugGeneral .or. errmatinv) then
+    if (errmatinv) then
       write(formatString, '(i2)') size_reduced
       formatString = '(/,1x,a,/,'//trim(formatString)//'('//trim(formatString)//'(2x,es9.2,1x)/))'
       print trim(formatString), 'C * S (load) ', transpose(matmul(c_reduced,s_reduced))
@@ -738,12 +700,6 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
 
   utilities_maskedCompliance = math_99to3333(temp99_Real)
 
-  if (debugGeneral) then
-    print'(/,1x,a,/,9(9(2x,f10.5,1x)/),9(2x,f10.5,1x))', &
-      'Masked Compliance (load) * GPa =', transpose(temp99_Real)*1.0e9_pReal
-    flush(IO_STDOUT)
-  end if
-
 end function utilities_maskedCompliance
 
 
@@ -825,9 +781,12 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
   P_av = sum(sum(sum(P,dim=5),dim=4),dim=3) * wgt
   call MPI_Allreduce(MPI_IN_PLACE,P_av,9_MPI_INTEGER_KIND,MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,err_MPI)
   if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
-  if (debugRotation) print'(/,1x,a,/,2(3(2x,f12.4,1x)/),3(2x,f12.4,1x))', &
+  if (present(rotation_BC)) then
+    if (any(dNeq(rotation_BC%asQuaternion(), real([1.0, 0.0, 0.0, 0.0],pReal)))) &
+      print'(/,1x,a,/,2(3(2x,f12.4,1x)/),3(2x,f12.4,1x))', &
       'Piola--Kirchhoff stress (lab) / MPa =', transpose(P_av)*1.e-6_pReal
-  if (present(rotation_BC)) P_av = rotation_BC%rotate(P_av)
+    P_av = rotation_BC%rotate(P_av)
+  end if
   print'(/,1x,a,/,2(3(2x,f12.4,1x)/),3(2x,f12.4,1x))', &
     'Piola--Kirchhoff stress       / MPa =', transpose(P_av)*1.e-6_pReal
   flush(IO_STDOUT)

src/mesh/FEM_utilities.f90

@@ -88,21 +88,17 @@ contains
 
 !ToDo: use functions in variable call
 !--------------------------------------------------------------------------------------------------
-!> @brief allocates all neccessary fields, sets debug flags
+!> @brief Allocate all neccessary fields.
 !--------------------------------------------------------------------------------------------------
 subroutine FEM_utilities_init
 
   character(len=pStringLen) :: petsc_optionsOrder
   type(tDict), pointer :: &
-    num_mesh, &
+    num_mesh
-    debug_mesh                                                                                      ! pointer to mesh debug options
   integer :: &
     p_s, &                                                                                          !< order of shape functions
     p_i                                                                                             !< integration order (quadrature rule)
-  character(len=*), parameter :: &
-    PETSCDEBUG = ' -snes_view -snes_monitor '
   PetscErrorCode :: err_PETSc
-  logical :: debugPETSc                                                                             !< use some in debug defined options for more verbose PETSc solution
 
 
   print'(/,1x,a)',   '<<<+-  FEM_utilities init  -+>>>'
@@ -117,17 +113,9 @@ subroutine FEM_utilities_init
   if (p_i < max(1,p_s-1) .or. p_i > p_s) &
     call IO_error(821,ext_msg='integration order (p_i) out of bounds')
 
-  debug_mesh => config_debug%get_dict('mesh',defaultVal=emptyDict)
-  debugPETSc =  debug_mesh%contains('PETSc')
-
-  if (debugPETSc) print'(3(/,1x,a),/)', &
-                 'Initializing PETSc with debug options: ', &
-                 trim(PETScDebug), &
-                 'add more using the "PETSc_options" keyword in numerics.yaml'
   flush(IO_STDOUT)
   call PetscOptionsClear(PETSC_NULL_OPTIONS,err_PETSc)
   CHKERRQ(err_PETSc)
-  if (debugPETSc) call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(PETSCDEBUG),err_PETSc)
   CHKERRQ(err_PETSc)
   call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mechanical_snes_type newtonls &
                                &-mechanical_snes_linesearch_type cp -mechanical_snes_ksp_ew &

src/mesh/discretization_mesh.f90

@@ -78,8 +78,7 @@ subroutine discretization_mesh_init(restart)
 
   PetscInt :: dimPlex, &
     mesh_Nnodes, &                                                                                  !< total number of nodes in mesh
-    j, &
+    j
-    debug_element, debug_ip
   PetscSF :: sf
   DM :: globalMesh
   PetscInt :: nFaceSets, Nboundaries, NelemsGlobal, Nelems
@@ -103,11 +102,6 @@ subroutine discretization_mesh_init(restart)
   num_mesh => config_numerics%get_dict('mesh',defaultVal=emptyDict)
   p_i = num_mesh%get_asInt('p_i',defaultVal = 2)
 
-!---------------------------------------------------------------------------------
-! read debug parameters
-  debug_element = config_debug%get_asInt('element',defaultVal=1)
-  debug_ip      = config_debug%get_asInt('integrationpoint',defaultVal=1)
-
 #if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>16)
   call DMPlexCreateFromFile(PETSC_COMM_WORLD,CLI_geomFile,'n/a',PETSC_TRUE,globalMesh,err_PETSc)
 #else
@@ -182,9 +176,6 @@ subroutine discretization_mesh_init(restart)
   end do
   materialAt = materialAt + 1_pPETSCINT
 
-  if (debug_element < 1 .or. debug_element > mesh_NcpElems) call IO_error(602,ext_msg='element')
-  if (debug_ip < 1 .or. debug_ip > mesh_maxNips)            call IO_error(602,ext_msg='IP')
-
   allocate(mesh_node0(3,mesh_Nnodes),source=0.0_pReal)
   mesh_node0(1:dimPlex,:) = reshape(mesh_node0_temp,[dimPlex,mesh_Nnodes])
 

src/phase.f90

@@ -76,17 +76,6 @@ module phase
 
   type(tNumerics) :: num                                                                            ! numerics parameters. Better name?
 
-  type :: tDebugOptions
-    logical :: &
-      basic, &
-      extensive, &
-      selective
-    integer :: &
-      element, &
-      ip, &
-      grain
-  end type tDebugOptions
-
   type(tPlasticState), allocatable, dimension(:), public :: &
     plasticState
   type(tState),  allocatable, dimension(:), public :: &
@@ -334,7 +323,6 @@ module phase
   end interface
 
 
-  type(tDebugOptions) :: debugConstitutive
 #if __INTEL_COMPILER >= 1900
   public :: &
     prec, &
@@ -390,21 +378,10 @@ subroutine phase_init
   type(tDict), pointer :: &
     phases, &
     phase
-  type(tList), pointer :: &
-    debug_constitutive
 
 
   print'(/,1x,a)', '<<<+-  phase init  -+>>>'; flush(IO_STDOUT)
 
-  debug_constitutive => config_debug%get_list('phase', defaultVal=emptyList)
-  debugConstitutive%basic     = debug_constitutive%contains('basic')
-  debugConstitutive%extensive = debug_constitutive%contains('extensive')
-  debugConstitutive%selective = debug_constitutive%contains('selective')
-  debugConstitutive%element   = config_debug%get_asInt('element',         defaultVal = 1)
-  debugConstitutive%ip        = config_debug%get_asInt('integrationpoint',defaultVal = 1)
-  debugConstitutive%grain     = config_debug%get_asInt('constituent',     defaultVal = 1)
-
-
   phases => config_material%get_dict('phase')
   allocate(phase_lattice(phases%length))
   allocate(phase_cOverA(phases%length),source=-1.0_pReal)

src/phase_mechanical_plastic_nonlocal.f90

@@ -1114,12 +1114,6 @@ module subroutine nonlocal_dotState(Mp,timestep, &
 
   if (    any(rho(:,mob) + rhoDot(:,1:4)  * timestep < -prm%atol_rho) &
      .or. any(rho(:,dip) + rhoDot(:,9:10) * timestep < -prm%atol_rho)) then
-#ifdef DEBUG
-    if (debugConstitutive%extensive) then
-      print'(a,i5,a,i2)', '<< CONST >> evolution rate leads to negative density at ph ',ph,' en ',en
-      print'(a)', '<< CONST >> enforcing cutback !!!'
-    end if
-#endif
     plasticState(ph)%dotState = IEEE_value(1.0_pReal,IEEE_quiet_NaN)
   else
     dot%rho(:,en) = pack(rhoDot,.true.)
@@ -1219,17 +1213,6 @@ function rhoDotFlux(timestep,ph,en)
     if (any( abs(dot_gamma) > 0.0_pReal &                                                           ! any active slip system ...
             .and. prm%C_CFL * abs(v0) * timestep &
                 > geom(ph)%V_0(en)/ maxval(geom(ph)%IParea(:,en)))) then                            ! ...with velocity above critical value (we use the reference volume and area for simplicity here)
-#ifdef DEBUG
-    if (debugConstitutive%extensive) then
-      print'(a,i5,a,i2)', '<< CONST >> CFL condition not fullfilled at ph ',ph,' en ',en
-      print'(a,e10.3,a,e10.3)', '<< CONST >> velocity is at  ', &
-        maxval(abs(v0), abs(dot_gamma) > 0.0_pReal &
-                       .and.  prm%C_CFL * abs(v0) * timestep &
-                             > geom(ph)%V_0(en) / maxval(geom(ph)%IParea(:,en))), &
-        ' at a timestep of ',timestep
-      print*, '<< CONST >> enforcing cutback !!!'
-    end if
-#endif
       rhoDotFlux = IEEE_value(1.0_pReal,IEEE_quiet_NaN)                                             ! enforce cutback
       return
     end if