715 lines
47 KiB
Fortran
715 lines
47 KiB
Fortran
!--------------------------------------------------------------------------------------------------
|
|
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
|
|
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
|
|
!> @brief Managing of parameters related to numerics
|
|
!--------------------------------------------------------------------------------------------------
|
|
module numerics
|
|
use prec, only: &
|
|
pInt, &
|
|
pReal
|
|
|
|
implicit none
|
|
private
|
|
#ifdef PETSc
|
|
#include <petsc/finclude/petsc.h90>
|
|
#endif
|
|
character(len=64), parameter, private :: &
|
|
numerics_CONFIGFILE = 'numerics.config' !< name of configuration file
|
|
|
|
integer(pInt), protected, public :: &
|
|
iJacoStiffness = 1_pInt, & !< frequency of stiffness update
|
|
iJacoLpresiduum = 1_pInt, & !< frequency of Jacobian update of residuum in Lp
|
|
nHomog = 20_pInt, & !< homogenization loop limit (only for debugging info, loop limit is determined by "subStepMinHomog")
|
|
nMPstate = 10_pInt, & !< materialpoint state loop limit
|
|
nCryst = 20_pInt, & !< crystallite loop limit (only for debugging info, loop limit is determined by "subStepMinCryst")
|
|
nState = 10_pInt, & !< state loop limit
|
|
nStress = 40_pInt, & !< stress loop limit
|
|
pert_method = 1_pInt, & !< method used in perturbation technique for tangent
|
|
fixedSeed = 0_pInt, & !< fixed seeding for pseudo-random number generator, Default 0: use random seed
|
|
worldrank = 0_pInt, & !< MPI worldrank (/=0 for MPI simulations only)
|
|
worldsize = 0_pInt !< MPI worldsize (/=0 for MPI simulations only)
|
|
integer, protected, public :: &
|
|
DAMASK_NumThreadsInt = 0 !< value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive
|
|
integer(pInt), public :: &
|
|
numerics_integrationMode = 0_pInt !< integrationMode 1 = central solution; integrationMode 2 = perturbation, Default 0: undefined, is not read from file
|
|
integer(pInt), dimension(2) , protected, public :: &
|
|
numerics_integrator = 1_pInt !< method used for state integration (central & perturbed state), Default 1: fix-point iteration for both states
|
|
real(pReal), protected, public :: &
|
|
relevantStrain = 1.0e-7_pReal, & !< strain increment considered significant (used by crystallite to determine whether strain inc is considered significant)
|
|
defgradTolerance = 1.0e-7_pReal, & !< deviation of deformation gradient that is still allowed (used by CPFEM to determine outdated ffn1)
|
|
pert_Fg = 1.0e-7_pReal, & !< strain perturbation for FEM Jacobi
|
|
subStepMinCryst = 1.0e-3_pReal, & !< minimum (relative) size of sub-step allowed during cutback in crystallite
|
|
subStepMinHomog = 1.0e-3_pReal, & !< minimum (relative) size of sub-step allowed during cutback in homogenization
|
|
subStepSizeCryst = 0.25_pReal, & !< size of first substep when cutback in crystallite
|
|
subStepSizeHomog = 0.25_pReal, & !< size of first substep when cutback in homogenization
|
|
stepIncreaseCryst = 1.5_pReal, & !< increase of next substep size when previous substep converged in crystallite
|
|
stepIncreaseHomog = 1.5_pReal, & !< increase of next substep size when previous substep converged in homogenization
|
|
rTol_crystalliteState = 1.0e-6_pReal, & !< relative tolerance in crystallite state loop
|
|
rTol_crystalliteStress = 1.0e-6_pReal, & !< relative tolerance in crystallite stress loop
|
|
aTol_crystalliteStress = 1.0e-8_pReal, & !< absolute tolerance in crystallite stress loop, Default 1.0e-8: residuum is in Lp and hence strain is on this order
|
|
numerics_unitlength = 1.0_pReal, & !< determines the physical length of one computational length unit
|
|
absTol_RGC = 1.0e+4_pReal, & !< absolute tolerance of RGC residuum
|
|
relTol_RGC = 1.0e-3_pReal, & !< relative tolerance of RGC residuum
|
|
absMax_RGC = 1.0e+10_pReal, & !< absolute maximum of RGC residuum
|
|
relMax_RGC = 1.0e+2_pReal, & !< relative maximum of RGC residuum
|
|
pPert_RGC = 1.0e-7_pReal, & !< perturbation for computing RGC penalty tangent
|
|
xSmoo_RGC = 1.0e-5_pReal, & !< RGC penalty smoothing parameter (hyperbolic tangent)
|
|
viscPower_RGC = 1.0e+0_pReal, & !< power (sensitivity rate) of numerical viscosity in RGC scheme, Default 1.0e0: Newton viscosity (linear model)
|
|
viscModus_RGC = 0.0e+0_pReal, & !< stress modulus of RGC numerical viscosity, Default 0.0e0: No viscosity is applied
|
|
refRelaxRate_RGC = 1.0e-3_pReal, & !< reference relaxation rate in RGC viscosity
|
|
maxdRelax_RGC = 1.0e+0_pReal, & !< threshold of maximum relaxation vector increment (if exceed this then cutback)
|
|
maxVolDiscr_RGC = 1.0e-5_pReal, & !< threshold of maximum volume discrepancy allowed
|
|
volDiscrMod_RGC = 1.0e+12_pReal, & !< stiffness of RGC volume discrepancy (zero = without volume discrepancy constraint)
|
|
volDiscrPow_RGC = 5.0_pReal, & !< powerlaw penalty for volume discrepancy
|
|
charLength = 1.0_pReal, & !< characteristic length scale for gradient problems
|
|
residualStiffness = 1.0e-6_pReal !< non-zero residual damage
|
|
logical, protected, public :: &
|
|
analyticJaco = .true., & !< use analytic Jacobian or perturbation, Default for Spectral solver .true.:
|
|
usePingPong = .true., &
|
|
numerics_timeSyncing = .false. !< flag indicating if time synchronization in crystallite is used for nonlocal plasticity
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! field parameters:
|
|
real(pReal), protected, public :: &
|
|
err_struct_tolAbs = 1.0e-10_pReal, & !< absolute tolerance for mechanical equilibrium
|
|
err_struct_tolRel = 1.0e-4_pReal, & !< relative tolerance for mechanical equilibrium
|
|
err_thermal_tolAbs = 1.0e-2_pReal, & !< absolute tolerance for thermal equilibrium
|
|
err_thermal_tolRel = 1.0e-6_pReal, & !< relative tolerance for thermal equilibrium
|
|
err_damage_tolAbs = 1.0e-2_pReal, & !< absolute tolerance for damage evolution
|
|
err_damage_tolRel = 1.0e-6_pReal, & !< relative tolerance for damage evolution
|
|
err_vacancyflux_tolAbs = 1.0e-8_pReal, & !< absolute tolerance for vacancy transport
|
|
err_vacancyflux_tolRel = 1.0e-6_pReal, & !< relative tolerance for vacancy transport
|
|
err_porosity_tolAbs = 1.0e-2_pReal, & !< absolute tolerance for porosity evolution
|
|
err_porosity_tolRel = 1.0e-6_pReal, & !< relative tolerance for porosity evolution
|
|
err_hydrogenflux_tolAbs = 1.0e-8_pReal, & !< absolute tolerance for hydrogen transport
|
|
err_hydrogenflux_tolRel = 1.0e-6_pReal, & !< relative tolerance for hydrogen transport
|
|
vacancyBoundPenalty = 1.0e+4_pReal, & !< penalty to enforce 0 < Cv < 1
|
|
hydrogenBoundPenalty = 1.0e+4_pReal !< penalty to enforce 0 < Ch < 1
|
|
integer(pInt), protected, public :: &
|
|
itmax = 250_pInt, & !< maximum number of iterations
|
|
itmin = 1_pInt, & !< minimum number of iterations
|
|
stagItMax = 10_pInt, & !< max number of field level staggered iterations
|
|
maxCutBack = 3_pInt, & !< max number of cut backs
|
|
vacancyPolyOrder = 10_pInt, & !< order of polynomial approximation of entropic contribution to vacancy chemical potential
|
|
hydrogenPolyOrder = 10_pInt !< order of polynomial approximation of entropic contribution to hydrogen chemical potential
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! spectral parameters:
|
|
#ifdef Spectral
|
|
real(pReal), protected, public :: &
|
|
err_div_tolAbs = 1.0e-10_pReal, & !< absolute tolerance for equilibrium
|
|
err_div_tolRel = 5.0e-4_pReal, & !< relative tolerance for equilibrium
|
|
err_curl_tolAbs = 1.0e-10_pReal, & !< absolute tolerance for compatibility
|
|
err_curl_tolRel = 5.0e-4_pReal, & !< relative tolerance for compatibility
|
|
err_stress_tolAbs = 1.0e3_pReal, & !< absolute tolerance for fullfillment of stress BC
|
|
err_stress_tolRel = 0.01_pReal, & !< relative tolerance for fullfillment of stress BC
|
|
fftw_timelimit = -1.0_pReal, & !< sets the timelimit of plan creation for FFTW, see manual on www.fftw.org, Default -1.0: disable timelimit
|
|
rotation_tol = 1.0e-12_pReal, & !< tolerance of rotation specified in loadcase, Default 1.0e-12: first guess
|
|
polarAlpha = 1.0_pReal, & !< polarization scheme parameter 0.0 < alpha < 2.0. alpha = 1.0 ==> AL scheme, alpha = 2.0 ==> accelerated scheme
|
|
polarBeta = 1.0_pReal !< polarization scheme parameter 0.0 < beta < 2.0. beta = 1.0 ==> AL scheme, beta = 2.0 ==> accelerated scheme
|
|
character(len=64), private :: &
|
|
fftw_plan_mode = 'FFTW_PATIENT' !< reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag
|
|
character(len=64), protected, public :: &
|
|
spectral_solver = 'basicpetsc' , & !< spectral solution method
|
|
spectral_derivative = 'continuous' !< spectral filtering method
|
|
character(len=1024), protected, public :: &
|
|
petsc_defaultOptions = '-mech_snes_type ngmres &
|
|
&-damage_snes_type ngmres &
|
|
&-thermal_snes_type ngmres ', &
|
|
petsc_options = ''
|
|
integer(pInt), protected, public :: &
|
|
fftw_planner_flag = 32_pInt, & !< conversion of fftw_plan_mode to integer, basically what is usually done in the include file of fftw
|
|
continueCalculation = 0_pInt, & !< 0: exit if BVP solver does not converge, 1: continue calculation if BVP solver does not converge
|
|
divergence_correction = 2_pInt !< correct divergence calculation in fourier space 0: no correction, 1: size scaled to 1, 2: size scaled to Npoints
|
|
logical, protected, public :: &
|
|
memory_efficient = .true., & !< for fast execution (pre calculation of gamma_hat), Default .true.: do not precalculate
|
|
update_gamma = .false. !< update gamma operator with current stiffness, Default .false.: use initial stiffness
|
|
#endif
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! FEM parameters:
|
|
#ifdef FEM
|
|
integer(pInt), protected, public :: &
|
|
integrationOrder = 2_pInt, & !< order of quadrature rule required
|
|
structOrder = 2_pInt, & !< order of displacement shape functions
|
|
thermalOrder = 2_pInt, & !< order of temperature field shape functions
|
|
damageOrder = 2_pInt, & !< order of damage field shape functions
|
|
vacancyfluxOrder = 2_pInt, & !< order of vacancy concentration and chemical potential field shape functions
|
|
porosityOrder = 2_pInt, & !< order of porosity field shape functions
|
|
hydrogenfluxOrder = 2_pInt !< order of hydrogen concentration and chemical potential field shape functions
|
|
logical, protected, public :: &
|
|
BBarStabilisation = .false.
|
|
character(len=4096), protected, public :: &
|
|
petsc_defaultOptions = '-mech_snes_type newtonls &
|
|
&-mech_snes_linesearch_type cp &
|
|
&-mech_snes_ksp_ew &
|
|
&-mech_snes_ksp_ew_rtol0 0.01 &
|
|
&-mech_snes_ksp_ew_rtolmax 0.01 &
|
|
&-mech_ksp_type fgmres &
|
|
&-mech_ksp_max_it 25 &
|
|
&-mech_pc_type ml &
|
|
&-mech_mg_levels_ksp_type chebyshev &
|
|
&-mech_mg_levels_pc_type sor &
|
|
&-mech_pc_ml_nullspace user &
|
|
&-damage_snes_type vinewtonrsls &
|
|
&-damage_snes_atol 1e-8 &
|
|
&-damage_ksp_type preonly &
|
|
&-damage_ksp_max_it 25 &
|
|
&-damage_pc_type cholesky &
|
|
&-damage_pc_factor_mat_solver_package mumps &
|
|
&-thermal_snes_type newtonls &
|
|
&-thermal_snes_linesearch_type cp &
|
|
&-thermal_ksp_type fgmres &
|
|
&-thermal_ksp_max_it 25 &
|
|
&-thermal_snes_atol 1e-3 &
|
|
&-thermal_pc_type hypre &
|
|
&-vacancy_snes_type newtonls &
|
|
&-vacancy_snes_linesearch_type cp &
|
|
&-vacancy_snes_atol 1e-9 &
|
|
&-vacancy_ksp_type fgmres &
|
|
&-vacancy_ksp_max_it 25 &
|
|
&-vacancy_pc_type ml &
|
|
&-vacancy_mg_levels_ksp_type chebyshev &
|
|
&-vacancy_mg_levels_pc_type sor &
|
|
&-porosity_snes_type newtonls &
|
|
&-porosity_snes_atol 1e-8 &
|
|
&-porosity_ksp_type fgmres &
|
|
&-porosity_ksp_max_it 25 &
|
|
&-porosity_pc_type hypre &
|
|
&-hydrogen_snes_type newtonls &
|
|
&-hydrogen_snes_linesearch_type cp &
|
|
&-hydrogen_snes_atol 1e-9 &
|
|
&-hydrogen_ksp_type fgmres &
|
|
&-hydrogen_ksp_max_it 25 &
|
|
&-hydrogen_pc_type ml &
|
|
&-hydrogen_mg_levels_ksp_type chebyshev &
|
|
&-hydrogen_mg_levels_pc_type sor ', &
|
|
petsc_options = ''
|
|
#endif
|
|
|
|
public :: numerics_init
|
|
|
|
contains
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief reads in parameters from numerics.config and sets openMP related parameters. Also does
|
|
! a sanity check
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine numerics_init
|
|
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
|
use IO, only: &
|
|
IO_read, &
|
|
IO_error, &
|
|
IO_open_file_stat, &
|
|
IO_isBlank, &
|
|
IO_stringPos, &
|
|
IO_stringValue, &
|
|
IO_lc, &
|
|
IO_floatValue, &
|
|
IO_intValue, &
|
|
IO_warning, &
|
|
IO_timeStamp, &
|
|
IO_EOF
|
|
|
|
#if defined(Spectral) || defined(FEM)
|
|
!$ use OMP_LIB, only: omp_set_num_threads ! Use the standard conforming module file for omp if using the spectral solver
|
|
implicit none
|
|
#else
|
|
implicit none
|
|
!$ include "omp_lib.h" ! use the not F90 standard conforming include file to prevent crashes with some versions of MSC.Marc
|
|
#endif
|
|
integer(pInt), parameter :: FILEUNIT = 300_pInt
|
|
!$ integer :: gotDAMASK_NUM_THREADS = 1
|
|
integer :: i, ierr ! no pInt
|
|
integer(pInt), allocatable, dimension(:) :: chunkPos
|
|
character(len=65536) :: &
|
|
tag ,&
|
|
line
|
|
!$ character(len=6) DAMASK_NumThreadsString ! environment variable DAMASK_NUM_THREADS
|
|
external :: &
|
|
MPI_Comm_rank, &
|
|
MPI_Comm_size, &
|
|
MPI_Abort
|
|
|
|
#ifdef PETSc
|
|
call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,ierr);CHKERRQ(ierr)
|
|
call MPI_Comm_size(PETSC_COMM_WORLD,worldsize,ierr);CHKERRQ(ierr)
|
|
#endif
|
|
write(6,'(/,a)') ' <<<+- numerics init -+>>>'
|
|
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
|
#include "compilation_info.f90"
|
|
|
|
!$ call GET_ENVIRONMENT_VARIABLE(NAME='DAMASK_NUM_THREADS',VALUE=DAMASK_NumThreadsString,STATUS=gotDAMASK_NUM_THREADS) ! get environment variable DAMASK_NUM_THREADS...
|
|
!$ if(gotDAMASK_NUM_THREADS /= 0) then ! could not get number of threads, set it to 1
|
|
!$ call IO_warning(35_pInt,ext_msg='BEGIN:'//DAMASK_NumThreadsString//':END')
|
|
!$ DAMASK_NumThreadsInt = 1
|
|
!$ else
|
|
!$ read(DAMASK_NumThreadsString,'(i6)') DAMASK_NumThreadsInt ! read as integer
|
|
!$ if (DAMASK_NumThreadsInt < 1) DAMASK_NumThreadsInt = 1 ! in case of string conversion fails, set it to one
|
|
!$ endif
|
|
!$ call omp_set_num_threads(DAMASK_NumThreadsInt) ! set number of threads for parallel execution
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! try to open the config file
|
|
fileExists: if(IO_open_file_stat(FILEUNIT,numerics_configFile)) then
|
|
mainProcess2: if (worldrank == 0) then
|
|
write(6,'(a,/)') ' using values from config file'
|
|
flush(6)
|
|
endif mainProcess2
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! read variables from config file and overwrite default parameters if keyword is present
|
|
line = ''
|
|
do while (trim(line) /= IO_EOF) ! read thru sections of phase part
|
|
line = IO_read(FILEUNIT)
|
|
do i=1,len(line)
|
|
if(line(i:i) == '=') line(i:i) = ' ' ! also allow keyword = value version
|
|
enddo
|
|
if (IO_isBlank(line)) cycle ! skip empty lines
|
|
chunkPos = IO_stringPos(line)
|
|
tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key
|
|
|
|
select case(tag)
|
|
case ('relevantstrain')
|
|
relevantStrain = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('defgradtolerance')
|
|
defgradTolerance = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('ijacostiffness')
|
|
iJacoStiffness = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('ijacolpresiduum')
|
|
iJacoLpresiduum = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('pert_fg')
|
|
pert_Fg = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('pert_method')
|
|
pert_method = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('nhomog')
|
|
nHomog = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('nmpstate')
|
|
nMPstate = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('ncryst')
|
|
nCryst = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('nstate')
|
|
nState = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('nstress')
|
|
nStress = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('substepmincryst')
|
|
subStepMinCryst = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('substepsizecryst')
|
|
subStepSizeCryst = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('stepincreasecryst')
|
|
stepIncreaseCryst = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('substepminhomog')
|
|
subStepMinHomog = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('substepsizehomog')
|
|
subStepSizeHomog = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('stepincreasehomog')
|
|
stepIncreaseHomog = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('rtol_crystallitestate')
|
|
rTol_crystalliteState = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('rtol_crystallitestress')
|
|
rTol_crystalliteStress = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('atol_crystallitestress')
|
|
aTol_crystalliteStress = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('integrator')
|
|
numerics_integrator(1) = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('integratorstiffness')
|
|
numerics_integrator(2) = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('analyticjaco')
|
|
analyticJaco = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
|
|
case ('usepingpong')
|
|
usepingpong = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
|
|
case ('timesyncing')
|
|
numerics_timeSyncing = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
|
|
case ('unitlength')
|
|
numerics_unitlength = IO_floatValue(line,chunkPos,2_pInt)
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! RGC parameters
|
|
case ('atol_rgc')
|
|
absTol_RGC = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('rtol_rgc')
|
|
relTol_RGC = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('amax_rgc')
|
|
absMax_RGC = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('rmax_rgc')
|
|
relMax_RGC = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('perturbpenalty_rgc')
|
|
pPert_RGC = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('relevantmismatch_rgc')
|
|
xSmoo_RGC = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('viscositypower_rgc')
|
|
viscPower_RGC = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('viscositymodulus_rgc')
|
|
viscModus_RGC = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('refrelaxationrate_rgc')
|
|
refRelaxRate_RGC = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('maxrelaxation_rgc')
|
|
maxdRelax_RGC = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('maxvoldiscrepancy_rgc')
|
|
maxVolDiscr_RGC = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('voldiscrepancymod_rgc')
|
|
volDiscrMod_RGC = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('discrepancypower_rgc')
|
|
volDiscrPow_RGC = IO_floatValue(line,chunkPos,2_pInt)
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! random seeding parameter
|
|
case ('fixed_seed')
|
|
fixedSeed = IO_intValue(line,chunkPos,2_pInt)
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! gradient parameter
|
|
case ('charlength')
|
|
charLength = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('residualstiffness')
|
|
residualStiffness = IO_floatValue(line,chunkPos,2_pInt)
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! field parameters
|
|
case ('err_struct_tolabs')
|
|
err_struct_tolAbs = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('err_struct_tolrel')
|
|
err_struct_tolRel = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('err_thermal_tolabs')
|
|
err_thermal_tolabs = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('err_thermal_tolrel')
|
|
err_thermal_tolrel = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('err_damage_tolabs')
|
|
err_damage_tolabs = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('err_damage_tolrel')
|
|
err_damage_tolrel = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('err_vacancyflux_tolabs')
|
|
err_vacancyflux_tolabs = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('err_vacancyflux_tolrel')
|
|
err_vacancyflux_tolrel = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('err_porosity_tolabs')
|
|
err_porosity_tolabs = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('err_porosity_tolrel')
|
|
err_porosity_tolrel = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('err_hydrogenflux_tolabs')
|
|
err_hydrogenflux_tolabs = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('err_hydrogenflux_tolrel')
|
|
err_hydrogenflux_tolrel = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('vacancyboundpenalty')
|
|
vacancyBoundPenalty = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('hydrogenboundpenalty')
|
|
hydrogenBoundPenalty = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('itmax')
|
|
itmax = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('itmin')
|
|
itmin = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('maxcutback')
|
|
maxCutBack = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('maxstaggerediter')
|
|
stagItMax = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('vacancypolyorder')
|
|
vacancyPolyOrder = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('hydrogenpolyorder')
|
|
hydrogenPolyOrder = IO_intValue(line,chunkPos,2_pInt)
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! spectral parameters
|
|
#ifdef Spectral
|
|
case ('err_div_tolabs')
|
|
err_div_tolAbs = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('err_div_tolrel')
|
|
err_div_tolRel = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('err_stress_tolrel')
|
|
err_stress_tolrel = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('err_stress_tolabs')
|
|
err_stress_tolabs = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('continuecalculation')
|
|
continueCalculation = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('memory_efficient')
|
|
memory_efficient = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
|
|
case ('fftw_timelimit')
|
|
fftw_timelimit = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('fftw_plan_mode')
|
|
fftw_plan_mode = IO_lc(IO_stringValue(line,chunkPos,2_pInt))
|
|
case ('spectralderivative')
|
|
spectral_derivative = IO_lc(IO_stringValue(line,chunkPos,2_pInt))
|
|
case ('divergence_correction')
|
|
divergence_correction = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('update_gamma')
|
|
update_gamma = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
|
|
case ('petsc_options')
|
|
petsc_options = trim(line(chunkPos(4):))
|
|
case ('spectralsolver','myspectralsolver')
|
|
spectral_solver = IO_lc(IO_stringValue(line,chunkPos,2_pInt))
|
|
case ('err_curl_tolabs')
|
|
err_curl_tolAbs = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('err_curl_tolrel')
|
|
err_curl_tolRel = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('polaralpha')
|
|
polarAlpha = IO_floatValue(line,chunkPos,2_pInt)
|
|
case ('polarbeta')
|
|
polarBeta = IO_floatValue(line,chunkPos,2_pInt)
|
|
#else
|
|
case ('err_div_tolabs','err_div_tolrel','err_stress_tolrel','err_stress_tolabs',& ! found spectral parameter for FEM build
|
|
'memory_efficient','fftw_timelimit','fftw_plan_mode', &
|
|
'divergence_correction','update_gamma','spectralfilter','myfilter', &
|
|
'err_curl_tolabs','err_curl_tolrel', &
|
|
'polaralpha','polarbeta')
|
|
call IO_warning(40_pInt,ext_msg=tag)
|
|
#endif
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! FEM parameters
|
|
#ifdef FEM
|
|
case ('integrationorder')
|
|
integrationorder = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('structorder')
|
|
structorder = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('thermalorder')
|
|
thermalorder = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('damageorder')
|
|
damageorder = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('vacancyfluxorder')
|
|
vacancyfluxOrder = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('porosityorder')
|
|
porosityOrder = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('hydrogenfluxorder')
|
|
hydrogenfluxOrder = IO_intValue(line,chunkPos,2_pInt)
|
|
case ('petsc_options')
|
|
petsc_options = trim(line(chunkPos(4):))
|
|
case ('bbarstabilisation')
|
|
BBarStabilisation = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
|
|
#else
|
|
case ('integrationorder','structorder','thermalorder', 'damageorder','vacancyfluxorder', &
|
|
'porosityorder','hydrogenfluxorder','bbarstabilisation')
|
|
call IO_warning(40_pInt,ext_msg=tag)
|
|
#endif
|
|
case default ! found unknown keyword
|
|
call IO_error(300_pInt,ext_msg=tag)
|
|
endselect
|
|
enddo
|
|
close(FILEUNIT)
|
|
|
|
else fileExists
|
|
write(6,'(a,/)') ' using standard values'
|
|
flush(6)
|
|
endif fileExists
|
|
|
|
#ifdef Spectral
|
|
select case(IO_lc(fftw_plan_mode)) ! setting parameters for the plan creation of FFTW. Basically a translation from fftw3.f
|
|
case('estimate','fftw_estimate') ! ordered from slow execution (but fast plan creation) to fast execution
|
|
fftw_planner_flag = 64_pInt
|
|
case('measure','fftw_measure')
|
|
fftw_planner_flag = 0_pInt
|
|
case('patient','fftw_patient')
|
|
fftw_planner_flag= 32_pInt
|
|
case('exhaustive','fftw_exhaustive')
|
|
fftw_planner_flag = 8_pInt
|
|
case default
|
|
call IO_warning(warning_ID=47_pInt,ext_msg=trim(IO_lc(fftw_plan_mode)))
|
|
fftw_planner_flag = 32_pInt
|
|
end select
|
|
#endif
|
|
|
|
numerics_timeSyncing = numerics_timeSyncing .and. all(numerics_integrator==2_pInt) ! timeSyncing only allowed for explicit Euler integrator
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! writing parameters to output
|
|
write(6,'(a24,1x,es8.1)') ' relevantStrain: ',relevantStrain
|
|
write(6,'(a24,1x,es8.1)') ' defgradTolerance: ',defgradTolerance
|
|
write(6,'(a24,1x,i8)') ' iJacoStiffness: ',iJacoStiffness
|
|
write(6,'(a24,1x,i8)') ' iJacoLpresiduum: ',iJacoLpresiduum
|
|
write(6,'(a24,1x,es8.1)') ' pert_Fg: ',pert_Fg
|
|
write(6,'(a24,1x,i8)') ' pert_method: ',pert_method
|
|
write(6,'(a24,1x,i8)') ' nCryst: ',nCryst
|
|
write(6,'(a24,1x,es8.1)') ' subStepMinCryst: ',subStepMinCryst
|
|
write(6,'(a24,1x,es8.1)') ' subStepSizeCryst: ',subStepSizeCryst
|
|
write(6,'(a24,1x,es8.1)') ' stepIncreaseCryst: ',stepIncreaseCryst
|
|
write(6,'(a24,1x,i8)') ' nState: ',nState
|
|
write(6,'(a24,1x,i8)') ' nStress: ',nStress
|
|
write(6,'(a24,1x,es8.1)') ' rTol_crystalliteState: ',rTol_crystalliteState
|
|
write(6,'(a24,1x,es8.1)') ' rTol_crystalliteStress: ',rTol_crystalliteStress
|
|
write(6,'(a24,1x,es8.1)') ' aTol_crystalliteStress: ',aTol_crystalliteStress
|
|
write(6,'(a24,2(1x,i8))') ' integrator: ',numerics_integrator
|
|
write(6,'(a24,1x,L8)') ' timeSyncing: ',numerics_timeSyncing
|
|
write(6,'(a24,1x,L8)') ' analytic Jacobian: ',analyticJaco
|
|
write(6,'(a24,1x,L8)') ' use ping pong scheme: ',usepingpong
|
|
write(6,'(a24,1x,es8.1,/)')' unitlength: ',numerics_unitlength
|
|
|
|
write(6,'(a24,1x,i8)') ' nHomog: ',nHomog
|
|
write(6,'(a24,1x,es8.1)') ' subStepMinHomog: ',subStepMinHomog
|
|
write(6,'(a24,1x,es8.1)') ' subStepSizeHomog: ',subStepSizeHomog
|
|
write(6,'(a24,1x,es8.1)') ' stepIncreaseHomog: ',stepIncreaseHomog
|
|
write(6,'(a24,1x,i8,/)') ' nMPstate: ',nMPstate
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! RGC parameters
|
|
write(6,'(a24,1x,es8.1)') ' aTol_RGC: ',absTol_RGC
|
|
write(6,'(a24,1x,es8.1)') ' rTol_RGC: ',relTol_RGC
|
|
write(6,'(a24,1x,es8.1)') ' aMax_RGC: ',absMax_RGC
|
|
write(6,'(a24,1x,es8.1)') ' rMax_RGC: ',relMax_RGC
|
|
write(6,'(a24,1x,es8.1)') ' perturbPenalty_RGC: ',pPert_RGC
|
|
write(6,'(a24,1x,es8.1)') ' relevantMismatch_RGC: ',xSmoo_RGC
|
|
write(6,'(a24,1x,es8.1)') ' viscosityrate_RGC: ',viscPower_RGC
|
|
write(6,'(a24,1x,es8.1)') ' viscositymodulus_RGC: ',viscModus_RGC
|
|
write(6,'(a24,1x,es8.1)') ' maxrelaxation_RGC: ',maxdRelax_RGC
|
|
write(6,'(a24,1x,es8.1)') ' maxVolDiscrepancy_RGC: ',maxVolDiscr_RGC
|
|
write(6,'(a24,1x,es8.1)') ' volDiscrepancyMod_RGC: ',volDiscrMod_RGC
|
|
write(6,'(a24,1x,es8.1,/)') ' discrepancyPower_RGC: ',volDiscrPow_RGC
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! Random seeding parameter
|
|
write(6,'(a24,1x,i16,/)') ' fixed_seed: ',fixedSeed
|
|
if (fixedSeed <= 0_pInt) &
|
|
write(6,'(a,/)') ' No fixed Seed: Random is random!'
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! gradient parameter
|
|
write(6,'(a24,1x,es8.1)') ' charLength: ',charLength
|
|
write(6,'(a24,1x,es8.1)') ' residualStiffness: ',residualStiffness
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! openMP parameter
|
|
!$ write(6,'(a24,1x,i8,/)') ' number of threads: ',DAMASK_NumThreadsInt
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! field parameters
|
|
write(6,'(a24,1x,i8)') ' itmax: ',itmax
|
|
write(6,'(a24,1x,i8)') ' itmin: ',itmin
|
|
write(6,'(a24,1x,i8)') ' maxCutBack: ',maxCutBack
|
|
write(6,'(a24,1x,i8)') ' maxStaggeredIter: ',stagItMax
|
|
write(6,'(a24,1x,i8)') ' vacancyPolyOrder: ',vacancyPolyOrder
|
|
write(6,'(a24,1x,i8)') ' hydrogenPolyOrder: ',hydrogenPolyOrder
|
|
write(6,'(a24,1x,es8.1)') ' err_struct_tolAbs: ',err_struct_tolAbs
|
|
write(6,'(a24,1x,es8.1)') ' err_struct_tolRel: ',err_struct_tolRel
|
|
write(6,'(a24,1x,es8.1)') ' err_thermal_tolabs: ',err_thermal_tolabs
|
|
write(6,'(a24,1x,es8.1)') ' err_thermal_tolrel: ',err_thermal_tolrel
|
|
write(6,'(a24,1x,es8.1)') ' err_damage_tolabs: ',err_damage_tolabs
|
|
write(6,'(a24,1x,es8.1)') ' err_damage_tolrel: ',err_damage_tolrel
|
|
write(6,'(a24,1x,es8.1)') ' err_vacancyflux_tolabs: ',err_vacancyflux_tolabs
|
|
write(6,'(a24,1x,es8.1)') ' err_vacancyflux_tolrel: ',err_vacancyflux_tolrel
|
|
write(6,'(a24,1x,es8.1)') ' err_porosity_tolabs: ',err_porosity_tolabs
|
|
write(6,'(a24,1x,es8.1)') ' err_porosity_tolrel: ',err_porosity_tolrel
|
|
write(6,'(a24,1x,es8.1)') ' err_hydrogenflux_tolabs:',err_hydrogenflux_tolabs
|
|
write(6,'(a24,1x,es8.1)') ' err_hydrogenflux_tolrel:',err_hydrogenflux_tolrel
|
|
write(6,'(a24,1x,es8.1)') ' vacancyBoundPenalty: ',vacancyBoundPenalty
|
|
write(6,'(a24,1x,es8.1)') ' hydrogenBoundPenalty: ',hydrogenBoundPenalty
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! spectral parameters
|
|
#ifdef Spectral
|
|
write(6,'(a24,1x,i8)') ' continueCalculation: ',continueCalculation
|
|
write(6,'(a24,1x,L8)') ' memory_efficient: ',memory_efficient
|
|
write(6,'(a24,1x,i8)') ' divergence_correction: ',divergence_correction
|
|
write(6,'(a24,1x,a)') ' spectral_derivative: ',trim(spectral_derivative)
|
|
if(fftw_timelimit<0.0_pReal) then
|
|
write(6,'(a24,1x,L8)') ' fftw_timelimit: ',.false.
|
|
else
|
|
write(6,'(a24,1x,es8.1)') ' fftw_timelimit: ',fftw_timelimit
|
|
endif
|
|
write(6,'(a24,1x,a)') ' fftw_plan_mode: ',trim(fftw_plan_mode)
|
|
write(6,'(a24,1x,i8)') ' fftw_planner_flag: ',fftw_planner_flag
|
|
write(6,'(a24,1x,L8,/)') ' update_gamma: ',update_gamma
|
|
write(6,'(a24,1x,es8.1)') ' err_stress_tolAbs: ',err_stress_tolAbs
|
|
write(6,'(a24,1x,es8.1)') ' err_stress_tolRel: ',err_stress_tolRel
|
|
write(6,'(a24,1x,es8.1)') ' err_div_tolAbs: ',err_div_tolAbs
|
|
write(6,'(a24,1x,es8.1)') ' err_div_tolRel: ',err_div_tolRel
|
|
write(6,'(a24,1x,es8.1)') ' err_curl_tolAbs: ',err_curl_tolAbs
|
|
write(6,'(a24,1x,es8.1)') ' err_curl_tolRel: ',err_curl_tolRel
|
|
write(6,'(a24,1x,es8.1)') ' polarAlpha: ',polarAlpha
|
|
write(6,'(a24,1x,es8.1)') ' polarBeta: ',polarBeta
|
|
write(6,'(a24,1x,a)') ' spectral solver: ',trim(spectral_solver)
|
|
write(6,'(a24,1x,a)') ' PETSc_options: ',trim(petsc_defaultOptions)//' '//trim(petsc_options)
|
|
#endif
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! spectral parameters
|
|
#ifdef FEM
|
|
write(6,'(a24,1x,i8)') ' integrationOrder: ',integrationOrder
|
|
write(6,'(a24,1x,i8)') ' structOrder: ',structOrder
|
|
write(6,'(a24,1x,i8)') ' thermalOrder: ',thermalOrder
|
|
write(6,'(a24,1x,i8)') ' damageOrder: ',damageOrder
|
|
write(6,'(a24,1x,i8)') ' vacancyfluxOrder: ',vacancyfluxOrder
|
|
write(6,'(a24,1x,i8)') ' porosityOrder: ',porosityOrder
|
|
write(6,'(a24,1x,i8)') ' hydrogenfluxOrder: ',hydrogenfluxOrder
|
|
write(6,'(a24,1x,a)') ' PETSc_options: ',trim(petsc_defaultOptions)//' '//trim(petsc_options)
|
|
write(6,'(a24,1x,L8)') ' B-Bar stabilisation: ',BBarStabilisation
|
|
#endif
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! sanity checks
|
|
if (relevantStrain <= 0.0_pReal) call IO_error(301_pInt,ext_msg='relevantStrain')
|
|
if (defgradTolerance <= 0.0_pReal) call IO_error(301_pInt,ext_msg='defgradTolerance')
|
|
if (iJacoStiffness < 1_pInt) call IO_error(301_pInt,ext_msg='iJacoStiffness')
|
|
if (iJacoLpresiduum < 1_pInt) call IO_error(301_pInt,ext_msg='iJacoLpresiduum')
|
|
if (pert_Fg <= 0.0_pReal) call IO_error(301_pInt,ext_msg='pert_Fg')
|
|
if (pert_method <= 0_pInt .or. pert_method >= 4_pInt) &
|
|
call IO_error(301_pInt,ext_msg='pert_method')
|
|
if (nHomog < 1_pInt) call IO_error(301_pInt,ext_msg='nHomog')
|
|
if (nMPstate < 1_pInt) call IO_error(301_pInt,ext_msg='nMPstate')
|
|
if (nCryst < 1_pInt) call IO_error(301_pInt,ext_msg='nCryst')
|
|
if (nState < 1_pInt) call IO_error(301_pInt,ext_msg='nState')
|
|
if (nStress < 1_pInt) call IO_error(301_pInt,ext_msg='nStress')
|
|
if (subStepMinCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepMinCryst')
|
|
if (subStepSizeCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeCryst')
|
|
if (stepIncreaseCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='stepIncreaseCryst')
|
|
if (subStepMinHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepMinHomog')
|
|
if (subStepSizeHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeHomog')
|
|
if (stepIncreaseHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='stepIncreaseHomog')
|
|
if (rTol_crystalliteState <= 0.0_pReal) call IO_error(301_pInt,ext_msg='rTol_crystalliteState')
|
|
if (rTol_crystalliteStress <= 0.0_pReal) call IO_error(301_pInt,ext_msg='rTol_crystalliteStress')
|
|
if (aTol_crystalliteStress <= 0.0_pReal) call IO_error(301_pInt,ext_msg='aTol_crystalliteStress')
|
|
if (any(numerics_integrator <= 0_pInt) .or. any(numerics_integrator >= 6_pInt)) &
|
|
call IO_error(301_pInt,ext_msg='integrator')
|
|
if (numerics_unitlength <= 0.0_pReal) call IO_error(301_pInt,ext_msg='unitlength')
|
|
if (absTol_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='absTol_RGC')
|
|
if (relTol_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='relTol_RGC')
|
|
if (absMax_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='absMax_RGC')
|
|
if (relMax_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='relMax_RGC')
|
|
if (pPert_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='pPert_RGC')
|
|
if (xSmoo_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='xSmoo_RGC')
|
|
if (viscPower_RGC < 0.0_pReal) call IO_error(301_pInt,ext_msg='viscPower_RGC')
|
|
if (viscModus_RGC < 0.0_pReal) call IO_error(301_pInt,ext_msg='viscModus_RGC')
|
|
if (refRelaxRate_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='refRelaxRate_RGC')
|
|
if (maxdRelax_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='maxdRelax_RGC')
|
|
if (maxVolDiscr_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='maxVolDiscr_RGC')
|
|
if (volDiscrMod_RGC < 0.0_pReal) call IO_error(301_pInt,ext_msg='volDiscrMod_RGC')
|
|
if (volDiscrPow_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='volDiscrPw_RGC')
|
|
if (residualStiffness < 0.0_pReal) call IO_error(301_pInt,ext_msg='residualStiffness')
|
|
if (itmax <= 1_pInt) call IO_error(301_pInt,ext_msg='itmax')
|
|
if (itmin > itmax .or. itmin < 1_pInt) call IO_error(301_pInt,ext_msg='itmin')
|
|
if (maxCutBack < 0_pInt) call IO_error(301_pInt,ext_msg='maxCutBack')
|
|
if (stagItMax < 0_pInt) call IO_error(301_pInt,ext_msg='maxStaggeredIter')
|
|
if (vacancyPolyOrder < 0_pInt) call IO_error(301_pInt,ext_msg='vacancyPolyOrder')
|
|
if (err_struct_tolRel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_struct_tolRel')
|
|
if (err_struct_tolAbs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_struct_tolAbs')
|
|
if (err_thermal_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_thermal_tolabs')
|
|
if (err_thermal_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_thermal_tolrel')
|
|
if (err_damage_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_damage_tolabs')
|
|
if (err_damage_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_damage_tolrel')
|
|
if (err_vacancyflux_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_vacancyflux_tolabs')
|
|
if (err_vacancyflux_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_vacancyflux_tolrel')
|
|
if (err_porosity_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_porosity_tolabs')
|
|
if (err_porosity_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_porosity_tolrel')
|
|
if (err_hydrogenflux_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_hydrogenflux_tolabs')
|
|
if (err_hydrogenflux_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_hydrogenflux_tolrel')
|
|
#ifdef Spectral
|
|
if (continueCalculation /= 0_pInt .and. &
|
|
continueCalculation /= 1_pInt) call IO_error(301_pInt,ext_msg='continueCalculation')
|
|
if (divergence_correction < 0_pInt .or. &
|
|
divergence_correction > 2_pInt) call IO_error(301_pInt,ext_msg='divergence_correction')
|
|
if (update_gamma .and. &
|
|
.not. memory_efficient) call IO_error(error_ID = 847_pInt)
|
|
if (err_stress_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_stress_tolRel')
|
|
if (err_stress_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_stress_tolAbs')
|
|
if (err_div_tolRel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_div_tolRel')
|
|
if (err_div_tolAbs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_div_tolAbs')
|
|
if (err_curl_tolRel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_curl_tolRel')
|
|
if (err_curl_tolAbs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_curl_tolAbs')
|
|
if (polarAlpha <= 0.0_pReal .or. &
|
|
polarAlpha > 2.0_pReal) call IO_error(301_pInt,ext_msg='polarAlpha')
|
|
if (polarBeta < 0.0_pReal .or. &
|
|
polarBeta > 2.0_pReal) call IO_error(301_pInt,ext_msg='polarBeta')
|
|
#endif
|
|
|
|
end subroutine numerics_init
|
|
|
|
end module numerics
|