[skip ci] example numerics and debug yaml files added
This commit is contained in:
Sharan Roongta
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### debugging parameters ###
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# example:
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# --------
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# mesh basic extensive # switches on the "basic" and "extensive" debugging in mesh-related functions/subroutines
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#
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debug # debug.f90, possible values: basic, extensive
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math # math.f90, possible value: basic
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FEsolving # FEsolving.f90, possible value: basic
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mesh # mesh.f90, possible value: basic, extensive
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material # material.f90, possible values: basic, extensive
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lattice # lattice.f90, possible value: basic
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constitutive # constitutive_*.f90 possible values: basic, extensive, selective
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crystallite # crystallite.f90 possible values: basic, extensive, selective
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homogenization # homogenization_*.f90 possible values: basic, extensive, selective
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CPFEM # CPFEM.f90 possible values: basic, extensive, selective
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spectral # DAMASK_spectral.f90 possible values: basic, fft, restart, divergence, rotation, petsc
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marc # MSC.MARC FEM solver possible values: basic
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#
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# Parameters for selective
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element 1 # selected element for debugging (synonymous: "el", "e")
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integrationpoint 1 # selected integration point for debugging (synonymous: "ip", "i")
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grain 1 # selected grain at ip for debugging (synonymous: "gr", "g")
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### debugging parameters ###
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## case sensitive keys
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# example:
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# --------
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# mesh: [basic, extensive] # switches on the "basic" and "extensive" debugging in mesh-related functions/subroutines
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#
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mesh: [basic,extensive] # mesh.f90, possible value: basic, extensive
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material: [basic, extensive] # material.f90, possible values: basic, extensive
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constitutive: [basic, extensive, selective] # constitutive_*.f90 possible values: basic, extensive, selective
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crystallite: [basic, extensive, selective] # crystallite.f90 possible values: basic, extensive, selective
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homogenization: [basic, extensive, selective] # homogenization_*.f90 possible values: basic, extensive, selective
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cpfem: [basic, extensive, selective] # CPFEM.f90 possible values: basic, extensive, selective
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grid: [basic, fft, restart, divergence, rotation, petsc] # DAMASK_spectral.f90 possible values: basic, fft, restart, divergence, rotation, petsc
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marc: [basic] # MSC.MARC FEM solver possible values: basic
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#
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# Parameters for selective
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element: 1 # selected element for debugging
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integrationpoint: 1 # selected integration point for debugging
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grain: 1 # selected grain at ip for debugging
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### numerical parameters ###
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relevantStrain 1.0e-7 # strain increment considered significant (used by crystallite to determine whether strain inc is considered significant)
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defgradTolerance 1.0e-7 # deviation of deformation gradient that is still allowed (used by CPFEM to determine outdated ffn1)
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iJacoStiffness 1 # frequency of stiffness update
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iJacoLpresiduum 1 # frequency of Jacobian update of residuum in Lp
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pert_Fg 1.0e-7 # deformation gradient perturbation for grain tangent
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pert_method 1 # perturbation method (1 = forward, 2 = backward or 3 = central)
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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)
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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)
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unitlength 1 # physical length of one computational length unit
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usepingpong 1 # use the ping pong (collect <-> calc) scheme
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## crystallite numerical parameters ##
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nCryst 20 # crystallite loop limit (only for debugging info, loop limit is determined by "subStepMinCryst")
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subStepMinCryst 1.0e-3 # minimum (relative) size of sub-step allowed during cutback in crystallite
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subStepSizeCryst 0.25 # size of substep when cutback introduced in crystallite (value between 0 and 1)
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stepIncreaseCryst 1.5 # increase of next substep size when previous substep converged in crystallite (value higher than 1)
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nState 10 # state loop limit
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nStress 40 # stress loop limit
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rTol_crystalliteState 1.0e-6 # relative tolerance in crystallite state loop (abs tol provided by constitutive law)
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rTol_crystalliteStress 1.0e-6 # relative tolerance in crystallite stress loop (Lp residuum)
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aTol_crystalliteStress 1.0e-8 # absolute tolerance in crystallite stress loop (Lp residuum!)
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rTol_crystalliteTemperature 1.0e-6 # relative tolerance in crystallite state/temperature loop
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## homogenization numerical parameters ##
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nHomog 20 # homogenization loop limit (only for debugging info, loop limit is determined by "subStepMinHomog")
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subStepMinHomog 1.0e-3 # minimum (relative) size of sub-step allowed during cutback in homogenization
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subStepSizeHomog 0.25 # size of substep when cutback introduced in homogenization (value between 0 and 1)
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stepIncreaseHomog 1.5 # increase of next substep size when previous substep converged in homogenization (value higher than 1)
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nMPstate 10 # materialpoint state loop limit
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## RGC scheme numerical parameters ##
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aTol_RGC 1.0e+4 # absolute tolerance of RGC residuum (in Pa)
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rTol_RGC 1.0e-3 # relative ...
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aMax_RGC 1.0e+10 # absolute upper-limit of RGC residuum (in Pa)
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rMax_RGC 1.0e+2 # relative ...
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perturbPenalty_RGC 1.0e-7 # perturbation for computing penalty tangent
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maxRelaxation_RGC 1.0e+0 # threshold of maximum relaxation vector increment (if exceed this then cutback)
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relevantMismatch_RGC 1.0e-5 # minimum threshold of mismatch
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viscosityPower_RGC 1.0e+0 # power (sensitivity rate) of numerical viscosity in RGC scheme
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viscosityModulus_RGC 0.0e+0 # stress modulus of RGC numerical viscosity (zero = without numerical viscosity)
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# suggestion: larger than the aTol_RGC but still far below the expected flow stress of material
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refRelaxationRate_RGC 1.0e-3 # reference rate of relaxation (about the same magnitude as straining rate, possibly a bit higher)
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maxVolDiscrepancy_RGC 1.0e-5 # maximum allowable relative volume discrepancy
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volDiscrepancyMod_RGC 1.0e+12
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discrepancyPower_RGC 5.0
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random_seed 0 # any integer larger than zero seeds the random generator, otherwise random seeding
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## spectral parameters ##
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err_div_tolAbs 1.0e-3 # absolute tolerance for fulfillment of stress equilibrium
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err_div_tolRel 5.0e-4 # relative tolerance for fulfillment of stress equilibrium
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err_curl_tolAbs 1.0e-12 # absolute tolerance for fulfillment of strain compatibility
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err_curl_tolRel 5.0e-4 # relative tolerance for fulfillment of strain compatibility
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err_stress_tolAbs 1.0e3 # absolute tolerance for fulfillment of stress BC
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err_stress_tolRel 0.01 # relative tolerance for fulfillment of stress BC
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fftw_timelimit -1.0 # timelimit of plan creation for FFTW, see manual on www.fftw.org, Default -1.0: disable timelimit
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rotation_tol 1.0e-12 # tolerance of rotation specified in loadcase, Default 1.0e-12: first guess
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fftw_plan_mode FFTW_PATIENT # reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag
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itmax 250 # Maximum iteration number
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itmin 2 # Minimum iteration number
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maxCutBack 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
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memory_efficient 1 # Precalculate Gamma-operator (81 double per point)
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update_gamma 0 # Update Gamma-operator with current dPdF (not possible if memory_efficient=1)
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divergence_correction 2 # Use size-independent divergence criterion
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spectralsolver basicPETSc # Type of spectral solver (basicPETSc/polarisation)
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spectralfilter none # Type of filtering method to mitigate Gibb's phenomenon (none, cosine, ...)
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petsc_options -snes_type ngmres -snes_ngmres_anderson # PetSc solver options
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regridMode 0 # 0: no regrid; 1: regrid if DAMASK doesn't converge; 2: regrid if DAMASK or BVP Solver doesn't converge
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polarAlpha 1.0 # polarization scheme parameter 0.0 < alpha < 2.0. alpha = 1.0 ==> AL scheme, alpha = 2.0 ==> accelerated scheme
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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
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# Case sensitive keys
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homogenization:
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mech:
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RGC:
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atol: 1.0e+4 # absolute tolerance of RGC residuum (in Pa)
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rtol: 1.0e-3 # relative ...
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amax: 1.0e+10 # absolute upper-limit of RGC residuum (in Pa)
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rmax: 1.0e+2 # relative ...
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perturbpenalty: 1.0e-7 # perturbation for computing penalty tangent
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relevantmismatch: 1.0e-5 # minimum threshold of mismatch
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viscositypower: 1.0e+0 # power (sensitivity rate) of numerical viscosity in RGC scheme
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viscositymodulus: 0.0e+0 # stress modulus of RGC numerical viscosity (zero = without numerical viscosity)
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# suggestion: larger than the aTol_RGC but still far below the expected flow stress of material
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refrelaxationrate: 1.0e-3 # reference rate of relaxation (about the same magnitude as straining rate, possibly a bit higher)
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maxrelaxationrate: 1.0e+0 # threshold of maximum relaxation vector increment (if exceed this then cutback)
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maxvoldiscrepancy: 1.0e-5 # maximum allowable relative volume discrepancy
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voldiscrepancymod: 1.0e+12
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discrepancypower: 5.0
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generic:
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subStepMin: 1.0e-3 # minimum (relative) size of sub-step allowed during cutback in homogenization
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subStepSize: 0.25 # size of substep when cutback introduced in homogenization (value between 0 and 1)
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stepIncrease: 1.5 # increase of next substep size when previous substep converged in homogenization (value higher than 1)
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nMPstate: 10 # materialpoint state loop limit
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grid:
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eps_div_atol: 1.0e-3 # absolute tolerance for fulfillment of stress equilibrium
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eps_div_rtol: 5.0e-4 # relative tolerance for fulfillment of stress equilibrium
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eps_curl_atol: 1.0e-12 # absolute tolerance for fulfillment of strain compatibility
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eps_curl_rtol: 5.0e-4 # relative tolerance for fulfillment of strain compatibility
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eps_stress_atol: 1.0e3 # absolute tolerance for fulfillment of stress BC
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eps_stress_rtol: 0.01 # relative tolerance for fulfillment of stress BC
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eps_damage_atol: 1.0e-2 # absolute tolerance for damage evolution
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eps_damage_rtol: 1.0e-6 # relative tolerance for damage evolution
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eps_thermal_atol: 1.0e-2 # absolute tolerance for thermal equilibrium
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eps_thermal_rtol: 1.0e-6 # relative tolerance for thermal equilibrium
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itmax: 250 # Maximum iteration number
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itmin: 2 # Minimum iteration number
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fftw_timelimit: -1.0 # timelimit of plan creation for FFTW, see manual on www.fftw.org, Default -1.0: disable timelimit
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fftw_plan_mode: FFTW_PATIENT # reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag
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maxCutBack: 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
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maxStaggeredIter: 10 # max number of field level staggered iterations
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memory_efficient: 1 # Precalculate Gamma-operator (81 double per point)
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update_gamma: false # Update Gamma-operator with current dPdF (not possible if memory_efficient=1)
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divergence_correction: 2 # Use size-independent divergence criterion
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derivative: continuous # Approximation used for derivatives in Fourier space
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solver: Basic # Type of spectral solver (BasicPETSc/Polarisation/FEM)
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petsc_options: -snes_type ngmres -snes_ngmres_anderson # PetSc solver options
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alpha: 1.0 # polarization scheme parameter 0.0 < alpha < 2.0. alpha = 1.0 ==> AL scheme, alpha = 2.0 ==> accelerated scheme
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beta: 1.0 # polarization scheme parameter 0.0 < beta < 2.0. beta = 1.0 ==> AL scheme, beta = 2.0 ==> accelerated scheme
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mesh:
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maxCutBack: 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
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maxStaggeredIter: 10 # max number of field level staggered iterations
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structorder: 2 # order of displacement shape functions (when mesh is defined)
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bbarstabilisation: false
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integrationorder: 2 # order of quadrature rule required (when mesh is defined)
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itmax: 250 # Maximum iteration number
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itmin: 2 # Minimum iteration number
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eps_struct_atol: 1.0e-10 # absolute tolerance for mechanical equilibrium
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eps_struct_rtol: 1.0e-4 # relative tolerance for mechanical equilibrium
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crystallite:
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subStepMin: 1.0e-3 # minimum (relative) size of sub-step allowed during cutback in crystallite
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subStepSize: 0.25 # size of substep when cutback introduced in crystallite (value between 0 and 1)
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stepIncrease: 1.5 # increase of next substep size when previous substep converged in crystallite (value higher than 1)
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subStepSizeLp: 0.5 # size of first substep when cutback in Lp calculation
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subStepSizeLi: 0.5 # size of first substep when cutback in Li calculation
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nState: 10 # state loop limit
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nStress: 40 # stress loop limit
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rtol_State: 1.0e-6 # relative tolerance in crystallite state loop (abs tol provided by constitutive law)
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rtol_Stress: 1.0e-6 # relative tolerance in crystallite stress loop (Lp residuum)
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atol_Stress: 1.0e-8 # absolute tolerance in crystallite stress loop (Lp residuum!)
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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)
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iJacoLpresiduum: 1 # frequency of Jacobian update of residuum in Lp
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commercialFEM:
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ijacostiffness: 1 # frequency of stiffness update
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unitlength: 1 # physical length of one computational length unit
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generic:
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charLength: 1.0 # characteristic length scale for gradient problems.
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random_seed: 0 # fixed seeding for pseudo-random number generator, Default 0: use random seed.
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residualStiffness: 1.0e-6 # non-zero residual damage.
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