missing parameters of grid added to the current structure

src/grid/DAMASK_grid.f90

@@ -136,12 +136,16 @@ program DAMASK_grid
 
 !-------------------------------------------------------------------------------------------------
 ! read (and check) field parameters from numerics file
-  num_grid => config_numerics%get_dict('grid', defaultVal=emptyDict)
-  stagItMax  = num_grid%get_asInt('maxStaggeredIter',defaultVal=10)
-  maxCutBack = num_grid%get_asInt('maxCutBack',defaultVal=3)
 
-  if (stagItMax < 0)    call IO_error(301,ext_msg='maxStaggeredIter')
+  num_solver => config_numerics%get_dict('solver',defaultVal=emptyDict)
-  if (maxCutBack < 0)   call IO_error(301,ext_msg='maxCutBack')
+  num_grid => num_solver%get_dict('grid',defaultVal=emptyDict)
+
+  stagItMax  = num_grid%get_asInt('N_staggered_iter_max',defaultVal=10)
+  maxCutBack = num_grid%get_asInt('N_cutback_max',defaultVal=3)
+
+  if (stagItMax < 0)    call IO_error(301,ext_msg='N_staggered_iter_max')
+  if (maxCutBack < 0)   call IO_error(301,ext_msg='N_cutback_max')
+
 
   if (worldrank == 0) then
     fileContent = IO_read(CLI_loadFile)
@@ -156,9 +160,6 @@ program DAMASK_grid
   config_load => YAML_parse_str_asDict(fileContent) !ToDo: misleading prefix (overlaps with entities from config module)
   solver => config_load%get_dict('solver')
 
-  num_solver => config_numerics%get_dict('solver',defaultVal=emptyDict)
-  num_grid => num_solver%get_dict('grid',defaultVal=emptyDict)
-
 !--------------------------------------------------------------------------------------------------
 ! assign mechanics solver depending on selected type
 

src/grid/grid_damage_spectral.f90

@@ -68,7 +68,7 @@ module grid_damage_spectral
 contains
 
 !--------------------------------------------------------------------------------------------------
-!> @brief allocates all neccessary fields and fills them with data
+!> @brief Allocate all necessary fields and fill them with data, potentially from restart file.
 !--------------------------------------------------------------------------------------------------
 subroutine grid_damage_spectral_init(num_grid)
 
@@ -102,14 +102,14 @@ subroutine grid_damage_spectral_init(num_grid)
 ! read numerical parameters and do sanity checks
   num_grid_damage => num_grid%get_dict('damage',defaultVal=emptyDict)
 
-  num%itmax           = num_grid_damage%get_asInt('N_iter_max', defaultVal=250)
+  num%itmax           = num_grid_damage%get_asInt('N_iter_max', defaultVal=100)
 
   num%eps_damage_atol = num_grid_damage%get_asReal('eps_abs_phi',defaultVal=1.0e-2_pReal)
   num%eps_damage_rtol = num_grid_damage%get_asReal('eps_rel_phi',defaultVal=1.0e-6_pReal)
   num%phi_min         = num_grid_damage%get_asReal('phi_min',    defaultVal=1.0e-6_pReal)
 
   if (num%phi_min < 0.0_pReal)           call IO_error(301,ext_msg='phi_min')
-  if (num%itmax <= 1)                    call IO_error(301,ext_msg='N_iter_max')
+  if (num%itmax < 1)                     call IO_error(301,ext_msg='N_iter_max')
   if (num%eps_damage_atol <= 0.0_pReal)  call IO_error(301,ext_msg='eps_abs_phi')
   if (num%eps_damage_rtol <= 0.0_pReal)  call IO_error(301,ext_msg='eps_rel_phi')
 

src/grid/grid_mech_FEM.f90

@@ -94,7 +94,7 @@ module grid_mechanical_FEM
 contains
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Allocate all necessary fields and fills them with data, potentially from restart info.
+!> @brief Allocate all necessary fields and fill them with data, potentially from restart info.
 !--------------------------------------------------------------------------------------------------
 subroutine grid_mechanical_FEM_init(num_grid)
 
@@ -139,13 +139,13 @@ subroutine grid_mechanical_FEM_init(num_grid)
   num%eps_stress_rtol = num_grid_mech%get_asReal('eps_rel_P',     defaultVal=1.0e-3_pReal)
 
   num%itmin           = num_grid_mech%get_asInt('N_iter_min',defaultVal=1)
-  num%itmax           = num_grid_mech%get_asInt('N_iter_max',defaultVal=250)
+  num%itmax           = num_grid_mech%get_asInt('N_iter_max',defaultVal=100)
 
   if (num%eps_div_atol <= 0.0_pReal)             extmsg = trim(extmsg)//' eps_abs_div(P)'
   if (num%eps_div_rtol < 0.0_pReal)              extmsg = trim(extmsg)//' eps_rel_div(P)'
   if (num%eps_stress_atol <= 0.0_pReal)          extmsg = trim(extmsg)//' eps_abs_P'
   if (num%eps_stress_rtol < 0.0_pReal)           extmsg = trim(extmsg)//' eps_rel_P'
-  if (num%itmax <= 1)                            extmsg = trim(extmsg)//' N_iter_max'
+  if (num%itmax < 1)                             extmsg = trim(extmsg)//' N_iter_max'
   if (num%itmin > num%itmax .or. num%itmin < 1)  extmsg = trim(extmsg)//' N_iter_min'
 
   if (extmsg /= '') call IO_error(301,ext_msg=trim(extmsg))

src/grid/grid_mech_spectral_basic.f90

@@ -100,7 +100,7 @@ module grid_mechanical_spectral_basic
 contains
 
 !--------------------------------------------------------------------------------------------------
-!> @brief allocates all necessary fields and fills them with data, potentially from restart info
+!> @brief Allocate all necessary fields and fill them with data, potentially from restart info.
 !--------------------------------------------------------------------------------------------------
 subroutine grid_mechanical_spectral_basic_init(num_grid)
 
@@ -137,7 +137,7 @@ subroutine grid_mechanical_spectral_basic_init(num_grid)
   num_grid_mech => num_grid%get_dict('mechanical',defaultVal=emptyDict)
 
   num%itmin           = num_grid_mech%get_asInt  ('N_iter_min',defaultVal=1)
-  num%itmax           = num_grid_mech%get_asInt  ('N_iter_max',defaultVal=250)
+  num%itmax           = num_grid_mech%get_asInt  ('N_iter_max',defaultVal=100)
 
   num%update_gamma    = num_grid_fft%get_asBool ('update_gamma',defaultVal=.false.)
 
@@ -150,7 +150,7 @@ subroutine grid_mechanical_spectral_basic_init(num_grid)
   if (num%eps_div_rtol < 0.0_pReal)              extmsg = trim(extmsg)//' eps_rel_div(P)'
   if (num%eps_stress_atol <= 0.0_pReal)          extmsg = trim(extmsg)//' eps_abs_P'
   if (num%eps_stress_rtol < 0.0_pReal)           extmsg = trim(extmsg)//' eps_rel_P'
-  if (num%itmax <= 1)                            extmsg = trim(extmsg)//' N_iter_max'
+  if (num%itmax < 1)                             extmsg = trim(extmsg)//' N_iter_max'
   if (num%itmin > num%itmax .or. num%itmin < 1)  extmsg = trim(extmsg)//' N_iter_min'
 
   if (extmsg /= '') call IO_error(301,ext_msg=trim(extmsg))

src/grid/grid_mech_spectral_polarisation.f90

@@ -112,7 +112,7 @@ module grid_mechanical_spectral_polarisation
 contains
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Allocate all necessary fields and fills them with data, potentially from restart info.
+!> @brief Allocate all necessary fields and fill them with data, potentially from restart info.
 !--------------------------------------------------------------------------------------------------
 subroutine grid_mechanical_spectral_polarisation_init(num_grid)
 
@@ -159,7 +159,7 @@ subroutine grid_mechanical_spectral_polarisation_init(num_grid)
   num%beta            = num_grid_mech%get_asReal('beta',           defaultVal=1.0_pReal)
 
   num%itmin           = num_grid_mech%get_asInt  ('N_iter_min',defaultVal=1)
-  num%itmax           = num_grid_mech%get_asInt  ('N_iter_max',defaultVal=250)
+  num%itmax           = num_grid_mech%get_asInt  ('N_iter_max',defaultVal=100)
 
   if (num%eps_div_atol <= 0.0_pReal)                      extmsg = trim(extmsg)//' eps_abs_div(P)'
   if (num%eps_div_rtol < 0.0_pReal)                       extmsg = trim(extmsg)//' eps_rel_div(P)'
@@ -167,7 +167,7 @@ subroutine grid_mechanical_spectral_polarisation_init(num_grid)
   if (num%eps_curl_rtol < 0.0_pReal)                      extmsg = trim(extmsg)//' eps_rel_curl(F)'
   if (num%eps_stress_atol <= 0.0_pReal)                   extmsg = trim(extmsg)//' eps_abs_P'
   if (num%eps_stress_rtol < 0.0_pReal)                    extmsg = trim(extmsg)//' eps_rel_P'
-  if (num%itmax <= 1)                                     extmsg = trim(extmsg)//' N_iter_max'
+  if (num%itmax < 1)                                      extmsg = trim(extmsg)//' N_iter_max'
   if (num%itmin > num%itmax .or. num%itmin < 1)           extmsg = trim(extmsg)//' N_iter_min'
   if (num%alpha <= 0.0_pReal .or. num%alpha >  2.0_pReal) extmsg = trim(extmsg)//' alpha'
   if (num%beta < 0.0_pReal .or. num%beta > 2.0_pReal)     extmsg = trim(extmsg)//' beta'

src/grid/grid_thermal_spectral.f90

@@ -67,7 +67,7 @@ module grid_thermal_spectral
 contains
 
 !--------------------------------------------------------------------------------------------------
-!> @brief allocates all neccessary fields and fills them with data
+!> @brief Allocate all necessary fields and fill them with data, potentially from restart info.
 !--------------------------------------------------------------------------------------------------
 subroutine grid_thermal_spectral_init(num_grid)
 
@@ -98,12 +98,12 @@ subroutine grid_thermal_spectral_init(num_grid)
 ! read numerical parameters and do sanity checks
   num_grid_thermal => num_grid%get_dict('thermal',defaultVal=emptyDict)
 
-  num%itmax            = num_grid_thermal%get_asInt('N_iter_max', defaultVal=250)
+  num%itmax            = num_grid_thermal%get_asInt('N_iter_max', defaultVal=100)
 
   num%eps_thermal_atol = num_grid_thermal%get_asReal('eps_abs_T',  defaultVal=1.0e-2_pReal)
   num%eps_thermal_rtol = num_grid_thermal%get_asReal('eps_rel_T',  defaultVal=1.0e-6_pReal)
 
-  if (num%itmax <= 1)                    call IO_error(301,ext_msg='N_iter_max')
+  if (num%itmax < 1)                     call IO_error(301,ext_msg='N_iter_max')
   if (num%eps_thermal_atol <= 0.0_pReal) call IO_error(301,ext_msg='eps_abs_T')
   if (num%eps_thermal_rtol <= 0.0_pReal) call IO_error(301,ext_msg='eps_rel_T')