mesh numerics changes

PRIVATE

@@ -1 +1 @@
-Subproject commit 8c05965ef4437598898f467a213ffa88938e860a
+Subproject commit 9a067cb2757df91b9242414779a8b52ac9e5ee02

examples/config/numerics.yaml

@@ -40,7 +40,7 @@ solver:
       eps_rel_P: 1.0e-3      # relative tolerance for fulfillment of stress BC
       N_iter_min: 1          # minimum iteration number
       N_iter_max: 100        # maximum iteration number
-      update_gamma: false        # Update Gamma-operator with current dPdF (not possible if memory_efficient=1)
+      update_gamma: false    # Update Gamma-operator with current dPdF (not possible if memory_efficient=1)
 
     FFT:
       memory_efficient: True           # Precalculate Gamma-operator (81 double per point)
@@ -54,16 +54,15 @@ solver:
       eps_abs_curl(F): 1.0e-10 # absolute tolerance for fulfillment of strain compatibility
       eps_rel_curl(F): 5.0e-4  # relative tolerance for fulfillment of strain compatibility
 
-mesh:
+  mesh:
-  maxCutBack:                  3            # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
+    N_cutback_max:        3            # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
-  maxStaggeredIter:            10           # max number of field level staggered iterations
+    N_staggered_iter_max: 10           # max number of field level staggered iterations
-  structorder:                 2            # order of displacement shape functions (when mesh is defined)
+    p_s:                  2            # order of displacement shape functions (when mesh is defined)
-  bbarstabilisation:           false
+    bbarstabilisation:    false
-  integrationorder:            2            # order of quadrature rule required (when mesh is defined)
+    p_i:                  2            # order of quadrature rule required (when mesh is defined)
-  itmax:                       250          # Maximum iteration number
+    N_iter_max:           250          # Maximum iteration number
-  itmin:                       2            # Minimum iteration number
+    eps_abs_div(P):       1.0e-10      # absolute tolerance for mechanical equilibrium
-  eps_struct_atol:             1.0e-10      # absolute tolerance for mechanical equilibrium
+    eps_rel_div(P):       1.0e-4       # relative tolerance for mechanical equilibrium
-  eps_struct_rtol:             1.0e-4       # relative tolerance for mechanical equilibrium
 
 phase:
   mechanical:

src/mesh/DAMASK_mesh.f90

@@ -66,6 +66,7 @@ program DAMASK_mesh
     stagIter, &
     component
   type(tDict), pointer :: &
+    num_solver, &
     num_mesh
   character(len=pSTRLEN), dimension(:), allocatable :: fileContent
   character(len=pSTRLEN) :: &
@@ -90,12 +91,13 @@ program DAMASK_mesh
 
 !---------------------------------------------------------------------
 ! reading field information from numerics file and do sanity checks
-  num_mesh => config_numerics%get_dict('mesh', defaultVal=emptyDict)
+  num_solver => config_numerics%get_dict('solver', defaultVal=emptyDict)
-  stagItMax  = num_mesh%get_asInt('maxStaggeredIter',defaultVal=10)
+  num_mesh   => num_solver%get_dict('mesh', defaultVal=emptyDict)
-  maxCutBack = num_mesh%get_asInt('maxCutBack',defaultVal=3)
+  stagItMax  = num_mesh%get_asInt('N_staggered_iter_max',defaultVal=10)
+  maxCutBack = num_mesh%get_asInt('N_cutback_max',defaultVal=3)
 
-  if (stagItMax < 0)  call IO_error(301,ext_msg='maxStaggeredIter')
+  if (stagItMax < 0)  call IO_error(301,ext_msg='N_staggered_iter_max')
-  if (maxCutBack < 0) call IO_error(301,ext_msg='maxCutBack')
+  if (maxCutBack < 0) call IO_error(301,ext_msg='N_cutback_max')
 
 ! reading basic information from load case file and allocate data structure containing load cases
   call DMGetDimension(geomMesh,dimPlex,err_PETSc)                                                   !< dimension of mesh (2D or 3D)
@@ -229,8 +231,8 @@ program DAMASK_mesh
 
 !--------------------------------------------------------------------------------------------------
 ! doing initialization depending on active solvers
-  call FEM_Utilities_init()
+  call FEM_Utilities_init(num_mesh)
-  call FEM_mechanical_init(loadCases(1)%fieldBC(1))
+  call FEM_mechanical_init(loadCases(1)%fieldBC(1),num_mesh)
   call config_numerics_deallocate()
 
   if (worldrank == 0) then

src/mesh/FEM_utilities.f90

@@ -90,11 +90,14 @@ contains
 !--------------------------------------------------------------------------------------------------
 !> @brief Allocate all neccessary fields.
 !--------------------------------------------------------------------------------------------------
-subroutine FEM_utilities_init
+subroutine FEM_utilities_init(num_mesh)
 
-  character(len=pSTRLEN) :: petsc_optionsOrder
+  type(tDict), pointer, intent(in) :: &
-  type(tDict), pointer :: &
     num_mesh
+  character(len=pSTRLEN) :: petsc_optionsOrder
+  character(len=:), allocatable :: &
+    extmsg, &
+    petsc_options
   integer :: &
     p_s, &                                                                                          !< order of shape functions
     p_i                                                                                             !< integration order (quadrature rule)
@@ -103,8 +106,6 @@ subroutine FEM_utilities_init
 
   print'(/,1x,a)',   '<<<+-  FEM_utilities init  -+>>>'
 
-  num_mesh => config_numerics%get_dict('mesh',defaultVal=emptyDict)
-
   p_s = num_mesh%get_asInt('p_s',defaultVal = 2)
   p_i = num_mesh%get_asInt('p_i',defaultVal = p_s)
 
@@ -117,12 +118,13 @@ subroutine FEM_utilities_init
   call PetscOptionsClear(PETSC_NULL_OPTIONS,err_PETSc)
   CHKERRQ(err_PETSc)
   CHKERRQ(err_PETSc)
-  call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mechanical_snes_type newtonls &
+
+  petsc_options = misc_prefixOptions('-mechanical_snes_type newtonls &
                                &-mechanical_snes_linesearch_type cp -mechanical_snes_ksp_ew &
                                &-mechanical_snes_ksp_ew_rtol0 0.01 -mechanical_snes_ksp_ew_rtolmax 0.01 &
-                               &-mechanical_ksp_type fgmres -mechanical_ksp_max_it 25', err_PETSc)
+                               &-mechanical_ksp_type fgmres -mechanical_ksp_max_it 25' // &
-  CHKERRQ(err_PETSc)
+                                num_mesh%get_asStr('PETSc_options',defaultVal=''), 'mechanical_')
-  call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_mesh%get_asStr('PETSc_options',defaultVal=''),err_PETSc)
+  call PetscOptionsInsertString(PETSC_NULL_OPTIONS,petsc_options,err_PETSc)
   CHKERRQ(err_PETSc)
   write(petsc_optionsOrder,'(a,i0)') '-mechFE_petscspace_degree ', p_s
   call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_optionsOrder),err_PETSc)

src/mesh/discretization_mesh.f90

@@ -89,6 +89,7 @@ subroutine discretization_mesh_init(restart)
   PetscInt, dimension(:), allocatable :: &
     materialAt
   type(tDict), pointer :: &
+    num_solver, &
     num_mesh
   integer :: p_i, dim                                                                               !< integration order (quadrature rule)
   type(tvec) :: coords_node0
@@ -99,7 +100,8 @@ subroutine discretization_mesh_init(restart)
 
 !--------------------------------------------------------------------------------
 ! read numerics parameter
-  num_mesh => config_numerics%get_dict('mesh',defaultVal=emptyDict)
+  num_solver => config_numerics%get_dict('solver',defaultVal=emptyDict)
+  num_mesh   => config_numerics%get_dict('mesh',defaultVal=emptyDict)
   p_i = num_mesh%get_asInt('p_i',defaultVal = 2)
 
 #if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>16)

src/mesh/mesh_mech_FEM.f90

@@ -94,9 +94,10 @@ contains
 !--------------------------------------------------------------------------------------------------
 !> @brief allocates all neccessary fields and fills them with data
 !--------------------------------------------------------------------------------------------------
-subroutine FEM_mechanical_init(fieldBC)
+subroutine FEM_mechanical_init(fieldBC,num_mesh)
 
-  type(tFieldBC),             intent(in) :: fieldBC
+  type(tFieldBC),       intent(in)       :: fieldBC
+  type(tDict), pointer, intent(in)       :: num_mesh
 
   DM                                     :: mechanical_mesh
   PetscFE                                :: mechFE
@@ -126,23 +127,20 @@ subroutine FEM_mechanical_init(fieldBC)
   character(len=*), parameter            :: prefix = 'mechFE_'
   PetscErrorCode                         :: err_PETSc
   real(pREAL), dimension(3,3) :: devNull
-  type(tDict), pointer :: &
-    num_mesh
 
   print'(/,1x,a)', '<<<+-  FEM_mech init  -+>>>'; flush(IO_STDOUT)
 
 !-----------------------------------------------------------------------------
 ! read numerical parametes and do sanity checks
-  num_mesh => config_numerics%get_dict('mesh',defaultVal=emptyDict)
   num%p_i               = int(num_mesh%get_asInt('p_i',defaultVal = 2),pPETSCINT)
-  num%itmax             = int(num_mesh%get_asInt('itmax',defaultVal=250),pPETSCINT)
+  num%itmax             = int(num_mesh%get_asInt('N_iter_max',defaultVal=250),pPETSCINT)
   num%BBarStabilisation = num_mesh%get_asBool('bbarstabilisation',defaultVal = .false.)
-  num%eps_struct_atol   = num_mesh%get_asReal('eps_struct_atol', defaultVal = 1.0e-10_pREAL)
+  num%eps_struct_atol   = num_mesh%get_asReal('eps_abs_div(P)', defaultVal = 1.0e-10_pREAL)
-  num%eps_struct_rtol   = num_mesh%get_asReal('eps_struct_rtol', defaultVal = 1.0e-4_pREAL)
+  num%eps_struct_rtol   = num_mesh%get_asReal('eps_rel_div(P)', defaultVal = 1.0e-4_pREAL)
 
-  if (num%itmax <= 1)                       call IO_error(301,ext_msg='itmax')
+  if (num%itmax <= 1)                       call IO_error(301,ext_msg='N_iter_max')
-  if (num%eps_struct_rtol <= 0.0_pREAL)     call IO_error(301,ext_msg='eps_struct_rtol')
+  if (num%eps_struct_rtol <= 0.0_pREAL)     call IO_error(301,ext_msg='eps_rel_div(P)')
-  if (num%eps_struct_atol <= 0.0_pREAL)     call IO_error(301,ext_msg='eps_struct_atol')
+  if (num%eps_struct_atol <= 0.0_pREAL)     call IO_error(301,ext_msg='eps_abs_div(P)')
 
 !--------------------------------------------------------------------------------------------------
 ! Setup FEM mech mesh