Merge branch 'restructure-numerics' into 'development'
Restructure numerics Closes #271 and #63 See merge request damask/DAMASK!790
This commit is contained in:
Philip Eisenlohr
commit
2f8680e045
2
PRIVATE
2
PRIVATE
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@ -1 +1 @@
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Subproject commit cea3296f78f5b48ab949364a80b738d3a7cf2194
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Subproject commit 23a19f513e760e0b6d93ebb3bbf03ca3171c71d6
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@ -1,5 +1,58 @@
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# Available numerical parameters
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# Case sensitive keys
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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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phi_min: 1.0e-6 # residual integrity
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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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bbarstabilization: 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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@ -11,7 +64,7 @@ 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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@ -19,51 +72,6 @@ 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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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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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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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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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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phase:
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mechanical:
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@ -74,22 +82,19 @@ 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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commercialFEM:
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unitlength: 1 # physical length of one computational length unit
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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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phi_min: 1.0e-6 # non-zero residual damage.
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random_seed: 0 # fixed seeding for pseudo-random number generator (0: use random seed)
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@ -69,14 +69,16 @@ subroutine discretization_Marc_init
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unscaledNormals
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type(tDict), pointer :: &
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num_solver, &
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num_commercialFEM
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print'(/,a)', ' <<<+- discretization_Marc init -+>>>'; flush(6)
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num_commercialFEM => config_numerics%get_dict('commercialFEM',defaultVal = emptyDict)
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mesh_unitlength = num_commercialFEM%get_asReal('unitlength',defaultVal=1.0_pREAL) ! set physical extent of a length unit in mesh
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if (mesh_unitlength <= 0.0_pREAL) call IO_error(301,'unitlength')
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num_solver => config_numerics%get_dict('solver',defaultVal=emptyDict)
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num_commercialFEM => num_solver%get_dict('Marc',defaultVal=emptyDict)
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mesh_unitlength = num_commercialFEM%get_asReal('unit_length',defaultVal=1.0_pREAL) ! set physical extent of a length unit in mesh
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if (mesh_unitlength <= 0.0_pREAL) call IO_error(301,'unit_length')
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call inputRead(elem,node0_elem,connectivity_elem,materialAt)
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nElems = size(connectivity_elem,2)
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@ -110,7 +110,7 @@ subroutine grid_damage_spectral_init(num_grid)
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extmsg = ''
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if (num%eps_damage_atol <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_abs_phi'
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if (num%eps_damage_rtol <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_rel_phi'
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if (num%phi_min < 0.0_pREAL) extmsg = trim(extmsg)//' phi_min'
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if (num%phi_min <= 0.0_pREAL) extmsg = trim(extmsg)//' phi_min'
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if (num%itmax < 1) extmsg = trim(extmsg)//' N_iter_max'
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if (extmsg /= '') call IO_error(301,ext_msg=trim(extmsg))
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@ -66,6 +66,7 @@ program DAMASK_mesh
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stagIter, &
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component
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type(tDict), pointer :: &
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num_solver, &
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num_mesh
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character(len=pSTRLEN), dimension(:), allocatable :: fileContent
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character(len=pSTRLEN) :: &
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@ -90,12 +91,13 @@ program DAMASK_mesh
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!---------------------------------------------------------------------
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! reading field information from numerics file and do sanity checks
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num_mesh => config_numerics%get_dict('mesh', defaultVal=emptyDict)
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stagItMax = num_mesh%get_asInt('maxStaggeredIter',defaultVal=10)
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maxCutBack = num_mesh%get_asInt('maxCutBack',defaultVal=3)
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num_solver => config_numerics%get_dict('solver',defaultVal=emptyDict)
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num_mesh => num_solver%get_dict('mesh',defaultVal=emptyDict)
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stagItMax = num_mesh%get_asInt('N_staggered_iter_max',defaultVal=10)
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maxCutBack = num_mesh%get_asInt('N_cutback_max',defaultVal=3)
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if (stagItMax < 0) call IO_error(301,ext_msg='maxStaggeredIter')
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if (maxCutBack < 0) call IO_error(301,ext_msg='maxCutBack')
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if (stagItMax < 0) call IO_error(301,ext_msg='N_staggered_iter_max')
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if (maxCutBack < 0) call IO_error(301,ext_msg='N_cutback_max')
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! reading basic information from load case file and allocate data structure containing load cases
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call DMGetDimension(geomMesh,dimPlex,err_PETSc) !< dimension of mesh (2D or 3D)
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@ -229,8 +231,8 @@ program DAMASK_mesh
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!--------------------------------------------------------------------------------------------------
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! doing initialization depending on active solvers
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call FEM_Utilities_init()
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call FEM_mechanical_init(loadCases(1)%fieldBC(1))
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call FEM_Utilities_init(num_mesh)
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call FEM_mechanical_init(loadCases(1)%fieldBC(1),num_mesh)
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call config_numerics_deallocate()
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if (worldrank == 0) then
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@ -16,6 +16,7 @@ module FEM_utilities
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use prec
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use config
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use math
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use misc
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use IO
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use discretization_mesh
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use homogenization
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@ -90,11 +91,16 @@ contains
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!--------------------------------------------------------------------------------------------------
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!> @brief Allocate all neccessary fields.
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!--------------------------------------------------------------------------------------------------
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subroutine FEM_utilities_init
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subroutine FEM_utilities_init(num_mesh)
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character(len=pSTRLEN) :: petsc_optionsOrder
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type(tDict), pointer :: &
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type(tDict), pointer, intent(in) :: &
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num_mesh
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type(tDict), pointer :: &
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num_mech
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character(len=pSTRLEN) :: petsc_optionsOrder
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character(len=:), allocatable :: &
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petsc_options
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integer :: &
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p_s, & !< order of shape functions
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p_i !< integration order (quadrature rule)
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@ -103,7 +109,7 @@ subroutine FEM_utilities_init
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print'(/,1x,a)', '<<<+- FEM_utilities init -+>>>'
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num_mesh => config_numerics%get_dict('mesh',defaultVal=emptyDict)
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num_mech => num_mesh%get_dict('mechanical', defaultVal=emptyDict)
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p_s = num_mesh%get_asInt('p_s',defaultVal = 2)
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p_i = num_mesh%get_asInt('p_i',defaultVal = p_s)
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@ -117,20 +123,20 @@ subroutine FEM_utilities_init
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call PetscOptionsClear(PETSC_NULL_OPTIONS,err_PETSc)
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CHKERRQ(err_PETSc)
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CHKERRQ(err_PETSc)
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call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mechanical_snes_type newtonls &
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&-mechanical_snes_linesearch_type cp -mechanical_snes_ksp_ew &
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&-mechanical_snes_ksp_ew_rtol0 0.01 -mechanical_snes_ksp_ew_rtolmax 0.01 &
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&-mechanical_ksp_type fgmres -mechanical_ksp_max_it 25', err_PETSc)
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CHKERRQ(err_PETSc)
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call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_mesh%get_asStr('PETSc_options',defaultVal=''),err_PETSc)
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CHKERRQ(err_PETSc)
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petsc_options = misc_prefixOptions('-snes_type newtonls &
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&-snes_linesearch_type cp -snes_ksp_ew &
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&-snes_ksp_ew_rtol0 0.01 -snes_ksp_ew_rtolmax 0.01 &
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&-ksp_type fgmres -ksp_max_it 25 ' // &
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num_mech%get_asStr('PETSc_options',defaultVal=''), 'mechanical_')
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write(petsc_optionsOrder,'(a,i0)') '-mechFE_petscspace_degree ', p_s
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call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_optionsOrder),err_PETSc)
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petsc_options = petsc_options // ' ' // petsc_optionsOrder
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call PetscOptionsInsertString(PETSC_NULL_OPTIONS,petsc_options,err_PETSc)
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CHKERRQ(err_PETSc)
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wgt = real(mesh_maxNips*mesh_NcpElemsGlobal,pREAL)**(-1)
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end subroutine FEM_utilities_init
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@ -89,6 +89,7 @@ subroutine discretization_mesh_init(restart)
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PetscInt, dimension(:), allocatable :: &
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materialAt
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type(tDict), pointer :: &
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num_solver, &
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num_mesh
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integer :: p_i, dim !< integration order (quadrature rule)
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type(tvec) :: coords_node0
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@ -99,7 +100,8 @@ subroutine discretization_mesh_init(restart)
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!--------------------------------------------------------------------------------
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! read numerics parameter
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num_mesh => config_numerics%get_dict('mesh',defaultVal=emptyDict)
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num_solver => config_numerics%get_dict('solver',defaultVal=emptyDict)
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num_mesh => num_solver%get_dict('mesh',defaultVal=emptyDict)
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p_i = num_mesh%get_asInt('p_i',defaultVal=2)
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#if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>16)
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|
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@ -47,7 +47,7 @@ module mesh_mechanical_FEM
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p_i, & !< integration order (quadrature rule)
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itmax
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logical :: &
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BBarStabilisation
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BBarStabilization
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real(pREAL) :: &
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eps_struct_atol, & !< absolute tolerance for mechanical equilibrium
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eps_struct_rtol !< relative tolerance for mechanical equilibrium
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@ -94,9 +94,10 @@ contains
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!--------------------------------------------------------------------------------------------------
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!> @brief allocates all neccessary fields and fills them with data
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!--------------------------------------------------------------------------------------------------
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subroutine FEM_mechanical_init(fieldBC)
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subroutine FEM_mechanical_init(fieldBC,num_mesh)
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type(tFieldBC), intent(in) :: fieldBC
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type(tDict), pointer, intent(in) :: num_mesh
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DM :: mechanical_mesh
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PetscFE :: mechFE
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@ -126,23 +127,24 @@ subroutine FEM_mechanical_init(fieldBC)
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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 :: &
|
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num_mesh
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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_mesh => config_numerics%get_dict('mesh',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('itmax',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_struct_atol', defaultVal = 1.0e-10_pREAL)
|
||||
num%eps_struct_rtol = num_mesh%get_asReal('eps_struct_rtol', defaultVal = 1.0e-4_pREAL)
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||||
num_mech => num_mesh%get_dict('mechanical', defaultVal=emptyDict)
|
||||
|
||||
if (num%itmax <= 1) call IO_error(301,ext_msg='itmax')
|
||||
if (num%eps_struct_rtol <= 0.0_pREAL) call IO_error(301,ext_msg='eps_struct_rtol')
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||||
if (num%eps_struct_atol <= 0.0_pREAL) call IO_error(301,ext_msg='eps_struct_atol')
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||||
num%p_i = int(num_mesh%get_asInt('p_i',defaultVal=2),pPETSCINT)
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||||
num%BBarStabilization = num_mesh%get_asBool('bbarstabilization',defaultVal=.false.)
|
||||
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||||
num%itmax = int(num_mech%get_asInt('N_iter_max',defaultVal=250),pPETSCINT)
|
||||
num%eps_struct_atol = num_mech%get_asReal('eps_abs_div(P)', defaultVal=1.0e-10_pREAL)
|
||||
num%eps_struct_rtol = num_mech%get_asReal('eps_rel_div(P)', defaultVal=1.0e-4_pREAL)
|
||||
|
||||
if (num%itmax <= 1) call IO_error(301,ext_msg='N_iter_max')
|
||||
if (num%eps_struct_rtol <= 0.0_pREAL) call IO_error(301,ext_msg='eps_rel_div(P)')
|
||||
if (num%eps_struct_atol <= 0.0_pREAL) call IO_error(301,ext_msg='eps_abs_div(P)')
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! Setup FEM mech mesh
|
||||
|
|
@ -437,7 +439,7 @@ subroutine FEM_mechanical_formResidual(dm_local,xx_local,f_local,dummy,err_PETSc
|
|||
end do
|
||||
homogenization_F(1:dimPlex,1:dimPlex,m) = reshape(matmul(BMat,x_scal),shape=[dimPlex,dimPlex], order=[2,1])
|
||||
end do
|
||||
if (num%BBarStabilisation) then
|
||||
if (num%BBarStabilization) then
|
||||
detFAvg = math_det33(sum(homogenization_F(1:3,1:3,cell*nQuadrature+1:(cell+1)*nQuadrature),dim=3)/real(nQuadrature,pREAL))
|
||||
do qPt = 0, nQuadrature-1
|
||||
m = cell*nQuadrature + qPt+1
|
||||
|
|
@ -588,7 +590,7 @@ subroutine FEM_mechanical_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,err_P
|
|||
MatA = matmul(reshape(reshape(homogenization_dPdF(1:dimPlex,1:dimPlex,1:dimPlex,1:dimPlex,m), &
|
||||
shape=[dimPlex,dimPlex,dimPlex,dimPlex], order=[2,1,4,3]), &
|
||||
shape=[dimPlex*dimPlex,dimPlex*dimPlex]),BMat)*qWeights(qPt+1_pPETSCINT)
|
||||
if (num%BBarStabilisation) then
|
||||
if (num%BBarStabilization) then
|
||||
F(1:dimPlex,1:dimPlex) = reshape(matmul(BMat,x_scal),shape=[dimPlex,dimPlex])
|
||||
FInv = math_inv33(F)
|
||||
K_eA = K_eA + matmul(transpose(BMat),MatA)*math_det33(FInv)**(1.0_pREAL/real(dimPlex,pREAL))
|
||||
|
|
@ -604,7 +606,7 @@ subroutine FEM_mechanical_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,err_P
|
|||
K_eA = K_eA + matmul(transpose(BMat),MatA)
|
||||
end if
|
||||
end do
|
||||
if (num%BBarStabilisation) then
|
||||
if (num%BBarStabilization) then
|
||||
FInv = math_inv33(FAvg)
|
||||
K_e = K_eA*math_det33(FAvg/real(nQuadrature,pREAL))**(1.0_pREAL/real(dimPlex,pREAL)) + &
|
||||
(matmul(matmul(transpose(BMatAvg), &
|
||||
|
|
|
|||
Loading…
Reference in New Issue