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[skip ci] example numerics and debug yaml files added

This commit is contained in:
Sharan Roongta 2020-07-09 12:26:35 +02:00
parent 7df9bf2ad8
commit 76ae160352
4 changed files with 109 additions and 99 deletions
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examples/ConfigFiles/debug.config
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### debugging parameters ###
# example:
# --------
# mesh basic extensive # switches on the "basic" and "extensive" debugging in mesh-related functions/subroutines
#
debug # debug.f90, possible values: basic, extensive
math # math.f90, possible value: basic
FEsolving # FEsolving.f90, possible value: basic
mesh # mesh.f90, possible value: basic, extensive
material # material.f90, possible values: basic, extensive
lattice # lattice.f90, possible value: basic
constitutive # constitutive_*.f90 possible values: basic, extensive, selective
crystallite # crystallite.f90 possible values: basic, extensive, selective
homogenization # homogenization_*.f90 possible values: basic, extensive, selective
CPFEM # CPFEM.f90 possible values: basic, extensive, selective
spectral # DAMASK_spectral.f90 possible values: basic, fft, restart, divergence, rotation, petsc
marc # MSC.MARC FEM solver possible values: basic
#
# Parameters for selective
element 1 # selected element for debugging (synonymous: "el", "e")
integrationpoint 1 # selected integration point for debugging (synonymous: "ip", "i")
grain 1 # selected grain at ip for debugging (synonymous: "gr", "g")

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examples/ConfigFiles/debug.yaml Normal file
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### debugging parameters ###
## case sensitive keys
# example:
# --------
# mesh: [basic, extensive] # switches on the "basic" and "extensive" debugging in mesh-related functions/subroutines
#
mesh: [basic,extensive] # mesh.f90, possible value: basic, extensive
material: [basic, extensive] # material.f90, possible values: basic, extensive
constitutive: [basic, extensive, selective] # constitutive_*.f90 possible values: basic, extensive, selective
crystallite: [basic, extensive, selective] # crystallite.f90 possible values: basic, extensive, selective
homogenization: [basic, extensive, selective] # homogenization_*.f90 possible values: basic, extensive, selective
cpfem: [basic, extensive, selective] # CPFEM.f90 possible values: basic, extensive, selective
grid: [basic, fft, restart, divergence, rotation, petsc] # DAMASK_spectral.f90 possible values: basic, fft, restart, divergence, rotation, petsc
marc: [basic] # MSC.MARC FEM solver possible values: basic
#
# Parameters for selective
element: 1 # selected element for debugging
integrationpoint: 1 # selected integration point for debugging
grain: 1 # selected grain at ip for debugging

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examples/ConfigFiles/numerics.config
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### numerical parameters ###
relevantStrain 1.0e-7 # strain increment considered significant (used by crystallite to determine whether strain inc is considered significant)
defgradTolerance 1.0e-7 # deviation of deformation gradient that is still allowed (used by CPFEM to determine outdated ffn1)
iJacoStiffness 1 # frequency of stiffness update
iJacoLpresiduum 1 # frequency of Jacobian update of residuum in Lp
pert_Fg 1.0e-7 # deformation gradient perturbation for grain tangent
pert_method 1 # perturbation method (1 = forward, 2 = backward or 3 = central)
integrator 1 # integration method (1 = Fixed Point Iteration, 2 = Euler, 3 = Adaptive Euler, 4 = classical 4th order Runge-Kutta, 5 = 5th order Runge-Kutta Cash-Karp)
integratorStiffness 1 # integration method used for stiffness (1 = Fixed Point Iteration, 2 = Euler, 3 = Adaptive Euler, 4 = classical 4th order Runge-Kutta, 5 = 5th order Runge-Kutta Cash-Karp)
unitlength 1 # physical length of one computational length unit
usepingpong 1 # use the ping pong (collect <-> calc) scheme
## crystallite numerical parameters ##
nCryst 20 # crystallite loop limit (only for debugging info, loop limit is determined by "subStepMinCryst")
subStepMinCryst 1.0e-3 # minimum (relative) size of sub-step allowed during cutback in crystallite
subStepSizeCryst 0.25 # size of substep when cutback introduced in crystallite (value between 0 and 1)
stepIncreaseCryst 1.5 # increase of next substep size when previous substep converged in crystallite (value higher than 1)
nState 10 # state loop limit
nStress 40 # stress loop limit
rTol_crystalliteState 1.0e-6 # relative tolerance in crystallite state loop (abs tol provided by constitutive law)
rTol_crystalliteStress 1.0e-6 # relative tolerance in crystallite stress loop (Lp residuum)
aTol_crystalliteStress 1.0e-8 # absolute tolerance in crystallite stress loop (Lp residuum!)
rTol_crystalliteTemperature 1.0e-6 # relative tolerance in crystallite state/temperature loop
## homogenization numerical parameters ##
nHomog 20 # homogenization loop limit (only for debugging info, loop limit is determined by "subStepMinHomog")
subStepMinHomog 1.0e-3 # minimum (relative) size of sub-step allowed during cutback in homogenization
subStepSizeHomog 0.25 # size of substep when cutback introduced in homogenization (value between 0 and 1)
stepIncreaseHomog 1.5 # increase of next substep size when previous substep converged in homogenization (value higher than 1)
nMPstate 10 # materialpoint state loop limit
## RGC scheme numerical parameters ##
aTol_RGC 1.0e+4 # absolute tolerance of RGC residuum (in Pa)
rTol_RGC 1.0e-3 # relative ...
aMax_RGC 1.0e+10 # absolute upper-limit of RGC residuum (in Pa)
rMax_RGC 1.0e+2 # relative ...
perturbPenalty_RGC 1.0e-7 # perturbation for computing penalty tangent
maxRelaxation_RGC 1.0e+0 # threshold of maximum relaxation vector increment (if exceed this then cutback)
relevantMismatch_RGC 1.0e-5 # minimum threshold of mismatch
viscosityPower_RGC 1.0e+0 # power (sensitivity rate) of numerical viscosity in RGC scheme
viscosityModulus_RGC 0.0e+0 # stress modulus of RGC numerical viscosity (zero = without numerical viscosity)
# suggestion: larger than the aTol_RGC but still far below the expected flow stress of material
refRelaxationRate_RGC 1.0e-3 # reference rate of relaxation (about the same magnitude as straining rate, possibly a bit higher)
maxVolDiscrepancy_RGC 1.0e-5 # maximum allowable relative volume discrepancy
volDiscrepancyMod_RGC 1.0e+12
discrepancyPower_RGC 5.0
random_seed 0 # any integer larger than zero seeds the random generator, otherwise random seeding
## spectral parameters ##
err_div_tolAbs 1.0e-3 # absolute tolerance for fulfillment of stress equilibrium
err_div_tolRel 5.0e-4 # relative tolerance for fulfillment of stress equilibrium
err_curl_tolAbs 1.0e-12 # absolute tolerance for fulfillment of strain compatibility
err_curl_tolRel 5.0e-4 # relative tolerance for fulfillment of strain compatibility
err_stress_tolAbs 1.0e3 # absolute tolerance for fulfillment of stress BC
err_stress_tolRel 0.01 # relative tolerance for fulfillment of stress BC
fftw_timelimit -1.0 # timelimit of plan creation for FFTW, see manual on www.fftw.org, Default -1.0: disable timelimit
rotation_tol 1.0e-12 # tolerance of rotation specified in loadcase, Default 1.0e-12: first guess
fftw_plan_mode FFTW_PATIENT # reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag
itmax 250 # Maximum iteration number
itmin 2 # Minimum iteration number
maxCutBack 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
memory_efficient 1 # Precalculate Gamma-operator (81 double per point)
update_gamma 0 # Update Gamma-operator with current dPdF (not possible if memory_efficient=1)
divergence_correction 2 # Use size-independent divergence criterion
spectralsolver basicPETSc # Type of spectral solver (basicPETSc/polarisation)
spectralfilter none # Type of filtering method to mitigate Gibb's phenomenon (none, cosine, ...)
petsc_options -snes_type ngmres -snes_ngmres_anderson # PetSc solver options
regridMode 0 # 0: no regrid; 1: regrid if DAMASK doesn't converge; 2: regrid if DAMASK or BVP Solver doesn't converge
polarAlpha 1.0 # polarization scheme parameter 0.0 < alpha < 2.0. alpha = 1.0 ==> AL scheme, alpha = 2.0 ==> accelerated scheme
polarBeta 1.0 # polarization scheme parameter 0.0 < beta < 2.0. beta = 1.0 ==> AL scheme, beta = 2.0 ==> accelerated scheme

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# Available numerical parameters
# Case sensitive keys
homogenization:
mech:
RGC:
atol: 1.0e+4 # absolute tolerance of RGC residuum (in Pa)
rtol: 1.0e-3 # relative ...
amax: 1.0e+10 # absolute upper-limit of RGC residuum (in Pa)
rmax: 1.0e+2 # relative ...
perturbpenalty: 1.0e-7 # perturbation for computing penalty tangent
relevantmismatch: 1.0e-5 # minimum threshold of mismatch
viscositypower: 1.0e+0 # power (sensitivity rate) of numerical viscosity in RGC scheme
viscositymodulus: 0.0e+0 # stress modulus of RGC numerical viscosity (zero = without numerical viscosity)
# suggestion: larger than the aTol_RGC but still far below the expected flow stress of material
refrelaxationrate: 1.0e-3 # reference rate of relaxation (about the same magnitude as straining rate, possibly a bit higher)
maxrelaxationrate: 1.0e+0 # threshold of maximum relaxation vector increment (if exceed this then cutback)
maxvoldiscrepancy: 1.0e-5 # maximum allowable relative volume discrepancy
voldiscrepancymod: 1.0e+12
discrepancypower: 5.0
generic:
subStepMin: 1.0e-3 # minimum (relative) size of sub-step allowed during cutback in homogenization
subStepSize: 0.25 # size of substep when cutback introduced in homogenization (value between 0 and 1)
stepIncrease: 1.5 # increase of next substep size when previous substep converged in homogenization (value higher than 1)
nMPstate: 10 # materialpoint state loop limit
grid:
eps_div_atol: 1.0e-3 # absolute tolerance for fulfillment of stress equilibrium
eps_div_rtol: 5.0e-4 # relative tolerance for fulfillment of stress equilibrium
eps_curl_atol: 1.0e-12 # absolute tolerance for fulfillment of strain compatibility
eps_curl_rtol: 5.0e-4 # relative tolerance for fulfillment of strain compatibility
eps_stress_atol: 1.0e3 # absolute tolerance for fulfillment of stress BC
eps_stress_rtol: 0.01 # relative tolerance for fulfillment of stress BC
eps_damage_atol: 1.0e-2 # absolute tolerance for damage evolution
eps_damage_rtol: 1.0e-6 # relative tolerance for damage evolution
eps_thermal_atol: 1.0e-2 # absolute tolerance for thermal equilibrium
eps_thermal_rtol: 1.0e-6 # relative tolerance for thermal equilibrium
itmax: 250 # Maximum iteration number
itmin: 2 # Minimum iteration number
fftw_timelimit: -1.0 # timelimit of plan creation for FFTW, see manual on www.fftw.org, Default -1.0: disable timelimit
fftw_plan_mode: FFTW_PATIENT # reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag
maxCutBack: 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
maxStaggeredIter: 10 # max number of field level staggered iterations
memory_efficient: 1 # Precalculate Gamma-operator (81 double per point)
update_gamma: false # Update Gamma-operator with current dPdF (not possible if memory_efficient=1)
divergence_correction: 2 # Use size-independent divergence criterion
derivative: continuous # Approximation used for derivatives in Fourier space
solver: Basic # Type of spectral solver (BasicPETSc/Polarisation/FEM)
petsc_options: -snes_type ngmres -snes_ngmres_anderson # PetSc solver options
alpha: 1.0 # polarization scheme parameter 0.0 < alpha < 2.0. alpha = 1.0 ==> AL scheme, alpha = 2.0 ==> accelerated scheme
beta: 1.0 # polarization scheme parameter 0.0 < beta < 2.0. beta = 1.0 ==> AL scheme, beta = 2.0 ==> accelerated scheme
mesh:
maxCutBack: 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
maxStaggeredIter: 10 # max number of field level staggered iterations
structorder: 2 # order of displacement shape functions (when mesh is defined)
bbarstabilisation: false
integrationorder: 2 # order of quadrature rule required (when mesh is defined)
itmax: 250 # Maximum iteration number
itmin: 2 # Minimum iteration number
eps_struct_atol: 1.0e-10 # absolute tolerance for mechanical equilibrium
eps_struct_rtol: 1.0e-4 # relative tolerance for mechanical equilibrium
crystallite:
subStepMin: 1.0e-3 # minimum (relative) size of sub-step allowed during cutback in crystallite
subStepSize: 0.25 # size of substep when cutback introduced in crystallite (value between 0 and 1)
stepIncrease: 1.5 # increase of next substep size when previous substep converged in crystallite (value higher than 1)
subStepSizeLp: 0.5 # size of first substep when cutback in Lp calculation
subStepSizeLi: 0.5 # size of first substep when cutback in Li calculation
nState: 10 # state loop limit
nStress: 40 # stress loop limit
rtol_State: 1.0e-6 # relative tolerance in crystallite state loop (abs tol provided by constitutive law)
rtol_Stress: 1.0e-6 # relative tolerance in crystallite stress loop (Lp residuum)
atol_Stress: 1.0e-8 # absolute tolerance in crystallite stress loop (Lp residuum!)
integrator: FPI # integration method (FPI = Fixed Point Iteration, Euler = Euler, AdaptiveEuler = Adaptive Euler, RK4 = classical 4th order Runge-Kutta, RKCK45 = 5th order Runge-Kutta Cash-Karp)
iJacoLpresiduum: 1 # frequency of Jacobian update of residuum in Lp
commercialFEM:
ijacostiffness: 1 # frequency of stiffness update
unitlength: 1 # physical length of one computational length unit
generic:
charLength: 1.0 # characteristic length scale for gradient problems.
random_seed: 0 # fixed seeding for pseudo-random number generator, Default 0: use random seed.
residualStiffness: 1.0e-6 # non-zero residual damage.