Merge remote-tracking branch 'origin/numerics-comment-format' into restructure-numerics
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Sharan
commit
925da8aad4
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@ -1,6 +1,57 @@
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# Available numerical parameters
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# Case sensitive keys
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---
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# Default values of all available numerical parameters
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# Please note that keys are case sensitive
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solver:
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grid:
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N_staggered_iter_max: 10 # max number of field-level staggered iterations
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N_cutback_max: 3 # maximum cutback level (0: 1, 1: 0.5, 2: 0.25, etc)
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damage:
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N_iter_max: 100 # maximum iteration number
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eps_abs_phi: 1.0e-2 # absolute tolerance for damage evolution
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eps_rel_phi: 1.0e-6 # relative tolerance for damage evolution
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thermal:
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N_iter_max: 100 # maximum iteration number
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eps_abs_T: 1.0e-2 # absolute tolerance for thermal equilibrium
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eps_rel_T: 1.0e-6 # relative tolerance for thermal equilibrium
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mechanical:
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N_iter_min: 1 # minimum iteration number
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N_iter_max: 100 # maximum iteration number
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eps_abs_div(P): 1.0e-4 # absolute tolerance for fulfillment of stress equilibrium
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eps_rel_div(P): 5.0e-4 # relative tolerance for fulfillment of stress equilibrium
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eps_abs_P: 1.0e3 # absolute tolerance for fulfillment of stress BC
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eps_rel_P: 1.0e-3 # relative tolerance for fulfillment of stress BC
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update_gamma: false # update Gamma-operator with current dPdF (not possible if FFT: memory_efficient == true)
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FFT:
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memory_efficient: true # precalculate Gamma-operator (81 doubles per point)
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divergence_correction: size+grid # use size-independent divergence criterion {none, size, size+grid}
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derivative: continuous # approximation used for derivatives in Fourier space {continuous, central_difference, FWBW_difference}
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FFTW_plan_mode: FFTW_MEASURE # planning-rigor flags, see manual at https://www.fftw.org/fftw3_doc/Planner-Flags.html
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FFTW_timelimit: -1.0 # time limit of plan creation for FFTW, see manual on www.fftw.org. (-1.0: disable time limit)
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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 (1.0: AL scheme, 2.0: accelerated scheme)
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beta: 1.0 # polarization scheme parameter 0.0 < beta < 2.0 (1.0: AL scheme, 2.0: accelerated scheme)
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eps_abs_curl(F): 1.0e-10 # absolute tolerance for fulfillment of strain compatibility
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eps_rel_curl(F): 5.0e-4 # relative tolerance for fulfillment of strain compatibility
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mesh:
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N_cutback_max: 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
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N_staggered_iter_max: 10 # max number of field level staggered iterations
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p_s: 2 # order of displacement shape functions
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p_i: 2 # order of quadrature rule required
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bbarstabilisation: false
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mechanical:
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N_iter_max: 250 # Maximum iteration number
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eps_abs_div(P): 1.0e-10 # absolute tolerance for mechanical equilibrium
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eps_rel_div(P): 1.0e-4 # relative tolerance for mechanical equilibrium
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Marc:
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unit_length: 1.0 # physical length of one computational length unit
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homogenization:
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mechanical:
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@ -12,7 +63,7 @@ homogenization:
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Delta_a: 1.0e-7 # perturbation for computing penalty tangent
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relevant_mismatch: 1.0e-5 # minimum threshold of mismatch
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viscosity_exponent: 1.0e+0 # power (sensitivity rate) of numerical viscosity in RGC scheme
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viscosity_modulus: 0.0e+0 # stress modulus of RGC numerical viscosity (zero = without numerical viscosity)
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viscosity_modulus: 0.0e+0 # stress modulus of RGC numerical viscosity (0: 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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dot_a_ref: 1.0e-3 # reference rate of relaxation (about the same magnitude as straining rate, possibly a bit higher)
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dot_a_max: 1.0e+0 # threshold of maximum relaxation vector increment (if exceed this then cutback)
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@ -20,54 +71,6 @@ homogenization:
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Delta_V_modulus: 1.0e+12
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Delta_V_exponent: 5.0
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solver:
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grid:
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N_staggered_iter_max: 10 # max number of field level staggered iterations
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N_cutback_max: 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
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damage:
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N_iter_max: 100 # maximum iteration number
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eps_abs_phi: 1.0e-2 # absolute tolerance for damage evolution
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eps_rel_phi: 1.0e-6 # relative tolerance for damage evolution
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phi_min: 1.0e-6 # non-zero residual damage
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thermal:
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N_iter_max: 100 # maximum iteration number
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eps_abs_T: 1.0e-2 # absolute tolerance for thermal equilibrium
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eps_rel_T: 1.0e-6 # relative tolerance for thermal equilibrium
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mechanical:
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eps_abs_div(P): 1.0e-4 # absolute tolerance for fulfillment of stress equilibrium
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eps_rel_div(P): 5.0e-4 # relative tolerance for fulfillment of stress equilibrium
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eps_abs_P: 1.0e3 # absolute tolerance for fulfillment of stress BC
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eps_rel_P: 1.0e-3 # relative tolerance for fulfillment of stress BC
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N_iter_min: 1 # minimum iteration number
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N_iter_max: 100 # maximum iteration number
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update_gamma: false # Update Gamma-operator with current dPdF (not possible if memory_efficient=1)
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FFT:
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memory_efficient: True # Precalculate Gamma-operator (81 double per point)
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divergence_correction: size+grid # Use size-independent divergence criterion
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derivative: continuous # Approximation used for derivatives in Fourier space
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FFTW_plan_mode: FFTW_MEASURE # planing-rigor flag, see manual on www.fftw.org
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FFTW_timelimit: -1.0 # timelimit of plan creation for FFTW, see manual on www.fftw.org. -1.0: disable timelimit
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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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eps_abs_curl(F): 1.0e-10 # absolute tolerance for fulfillment of strain compatibility
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eps_rel_curl(F): 5.0e-4 # relative tolerance for fulfillment of strain compatibility
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PETSc_options: -snes_type ngmres -snes_ngmres_anderson # PETSc solver options
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mesh:
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N_cutback_max: 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
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N_staggered_iter_max: 10 # max number of field level staggered iterations
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p_s: 2 # order of displacement shape functions (when mesh is defined)
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bbarstabilisation: false
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p_i: 2 # order of quadrature rule required (when mesh is defined)
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N_iter_max: 250 # Maximum iteration number
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eps_abs_div(P): 1.0e-10 # absolute tolerance for mechanical equilibrium
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eps_rel_div(P): 1.0e-4 # relative tolerance for mechanical equilibrium
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Marc:
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unit_length: 1.0 # physical length of one computational length unit
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phase:
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mechanical:
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@ -78,18 +81,19 @@ phase:
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N_iter_state_max: 10 # state loop limit
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plastic:
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r_linesearch_Lp: 0.5 # factor to decrease the step due to non-convergence in Lp calculation
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r_linesearch_Lp: 0.5 # factor to decrease the step if Lp calculation fails to converge
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eps_rel_Lp: 1.0e-6 # relative tolerance in Lp residuum
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eps_abs_Lp: 1.0e-8 # absolute tolerance in Lp residuum
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N_iter_Lp_max: 40 # stress loop limit for Lp
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f_update_jacobi_Lp: 1 # frequency of Jacobian update of residuum in Lp
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integrator_state: 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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eigen:
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r_linesearch_Li: 0.5 # factor to decrease the step due to non-convergence in Li calculation
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r_linesearch_Li: 0.5 # factor to decrease the step if Li calculation fails to converge
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eps_rel_Li: 1.0e-6 # relative tolerance in Li residuum
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eps_abs_Li: 1.0e-8 # absolute tolerance in Li residuum
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N_iter_Li_max: 40 # stress loop limit for Li
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f_update_jacobi_Li: 1 # frequency of Jacobian update of residuum in Li
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f_update_jacobi_Li: 1 # frequency of updating the Jacobian of residuum in Li
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generic:
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random_seed: 0 # fixed seeding for pseudo-random number generator, Default 0: use random seed.
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random_seed: 0 # fixed seeding for pseudo-random number generator (0: use random seed)
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@ -127,16 +127,20 @@ subroutine FEM_mechanical_init(fieldBC,num_mesh)
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character(len=*), parameter :: prefix = 'mechFE_'
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PetscErrorCode :: err_PETSc
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real(pREAL), dimension(3,3) :: devNull
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type(tDict), pointer :: num_mech
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print'(/,1x,a)', '<<<+- FEM_mech init -+>>>'; flush(IO_STDOUT)
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!-----------------------------------------------------------------------------
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! read numerical parametes and do sanity checks
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num_mech => num_mesh%get_dict('mechanical', defaultVal=emptyDict)
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num%p_i = int(num_mesh%get_asInt('p_i',defaultVal = 2),pPETSCINT)
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num%itmax = int(num_mesh%get_asInt('N_iter_max',defaultVal=250),pPETSCINT)
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num%BBarStabilisation = num_mesh%get_asBool('bbarstabilisation',defaultVal = .false.)
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num%eps_struct_atol = num_mesh%get_asReal('eps_abs_div(P)', defaultVal = 1.0e-10_pREAL)
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num%eps_struct_rtol = num_mesh%get_asReal('eps_rel_div(P)', defaultVal = 1.0e-4_pREAL)
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num%itmax = int(num_mech%get_asInt('N_iter_max',defaultVal=250),pPETSCINT)
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num%eps_struct_atol = num_mech%get_asReal('eps_abs_div(P)', defaultVal = 1.0e-10_pREAL)
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num%eps_struct_rtol = num_mech%get_asReal('eps_rel_div(P)', defaultVal = 1.0e-4_pREAL)
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if (num%itmax <= 1) call IO_error(301,ext_msg='N_iter_max')
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if (num%eps_struct_rtol <= 0.0_pREAL) call IO_error(301,ext_msg='eps_rel_div(P)')
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