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examples follow current implementation 

small polishing/consistent capitalization
This commit is contained in:
Martin Diehl 2023-07-17 18:03:31 +02:00
parent 0479db85ae
commit 9651f3e486
5 changed files with 45 additions and 34 deletions
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50
examples/config/numerics.yaml
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@ -25,30 +25,40 @@ homogenization:
stepIncrease: 1.5 # increase of next substep size when previous substep converged in homogenization (value higher than 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 nMPstate: 10 # materialpoint state loop limit
grid: solver:
eps_div_atol: 1.0e-3 # absolute tolerance for fulfillment of stress equilibrium grid:
eps_div_rtol: 5.0e-4 # relative tolerance for fulfillment of stress equilibrium N_staggered_iter_max: 10 # max number of field level staggered iterations
eps_curl_atol: 1.0e-12 # absolute tolerance for fulfillment of strain compatibility N_cutback_max: 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
eps_curl_rtol: 5.0e-4 # relative tolerance for fulfillment of strain compatibility
eps_stress_atol: 1.0e+3 # absolute tolerance for fulfillment of stress BC damage:
eps_stress_rtol: 0.01 # relative tolerance for fulfillment of stress BC N_iter_max: 100 # maximum iteration number
eps_damage_atol: 1.0e-2 # absolute tolerance for damage evolution eps_abs_phi: 1.0e-2 # absolute tolerance for damage evolution
eps_damage_rtol: 1.0e-6 # relative tolerance for damage evolution eps_rel_phi: 1.0e-6 # relative tolerance for damage evolution
eps_thermal_atol: 1.0e-2 # absolute tolerance for thermal equilibrium thermal:
eps_thermal_rtol: 1.0e-6 # relative tolerance for thermal equilibrium N_iter_max: 100 # maximum iteration number
itmax: 250 # Maximum iteration number eps_abs_T: 1.0e-2 # absolute tolerance for thermal equilibrium
itmin: 2 # Minimum iteration number eps_rel_T: 1.0e-6 # relative tolerance for thermal equilibrium
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 mechanical:
maxCutBack: 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc) eps_abs_div(P): 1.0e-4 # absolute tolerance for fulfillment of stress equilibrium
maxStaggeredIter: 10 # max number of field level staggered iterations eps_rel_div(P): 5.0e-4 # relative tolerance for fulfillment of stress equilibrium
memory_efficient: 1 # Precalculate Gamma-operator (81 double per point) eps_abs_P: 1.0e3 # absolute tolerance for fulfillment of stress BC
eps_rel_P: 1.0e-3 # relative tolerance for fulfillment of stress BC
N_iter_min: 1 # minimum iteration number
N_iter_max: 100 # maximum iteration number
update_gamma: false # Update Gamma-operator with current dPdF (not possible if memory_efficient=1) update_gamma: false # Update Gamma-operator with current dPdF (not possible if memory_efficient=1)
divergence_correction: 2 # Use size-independent divergence criterion
FFT:
memory_efficient: True # Precalculate Gamma-operator (81 double per point)
divergence_correction: size+grid # Use size-independent divergence criterion
derivative: continuous # Approximation used for derivatives in Fourier space derivative: continuous # Approximation used for derivatives in Fourier space
petsc_options: -snes_type ngmres -snes_ngmres_anderson # PetSc solver options FFTW_plan_mode: FFTW_MEASURE # planing-rigor flag, see manual on www.fftw.org
FFTW_timelimit: -1.0 # timelimit of plan creation for FFTW, see manual on www.fftw.org. -1.0: disable timelimit
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 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 beta: 1.0 # polarization scheme parameter 0.0 < beta < 2.0. beta = 1.0 ==> AL scheme, beta = 2.0 ==> accelerated scheme
eps_abs_curl(F): 1.0e-10 # absolute tolerance for fulfillment of strain compatibility
eps_rel_curl(F): 5.0e-4 # relative tolerance for fulfillment of strain compatibility
mesh: mesh:
maxCutBack: 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc) maxCutBack: 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)

1
examples/grid/numerics.yaml
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@ -1,3 +1,4 @@
grid: grid:
mechanical:
itmin: 4 itmin: 4
itmax: 40 itmax: 40

6
src/grid/grid_mech_spectral_basic.f90
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@ -135,9 +135,9 @@ subroutine grid_mechanical_spectral_basic_init(num_grid)
num_grid_fft => num_grid%get_dict('FFT',defaultVal=emptyDict) num_grid_fft => num_grid%get_dict('FFT',defaultVal=emptyDict)
num_grid_mech => num_grid%get_dict('mechanical',defaultVal=emptyDict) num_grid_mech => num_grid%get_dict('mechanical',defaultVal=emptyDict)
num%itmin = num_grid_mech%get_asInt ('N_iter_min',defaultVal=1) num%itmin = num_grid_mech%get_asInt('N_iter_min',defaultVal=1)
num%itmax = num_grid_mech%get_asInt ('N_iter_max',defaultVal=100) num%itmax = num_grid_mech%get_asInt('N_iter_max',defaultVal=100)
num%update_gamma = num_grid_mech%get_asBool ('update_gamma',defaultVal=.false.) num%update_gamma = num_grid_mech%get_asBool('update_gamma',defaultVal=.false.)
num%eps_div_atol = num_grid_mech%get_asReal('eps_abs_div(P)', defaultVal=1.0e-4_pREAL) num%eps_div_atol = num_grid_mech%get_asReal('eps_abs_div(P)', defaultVal=1.0e-4_pREAL)
num%eps_div_rtol = num_grid_mech%get_asReal('eps_rel_div(P)', defaultVal=5.0e-4_pREAL) num%eps_div_rtol = num_grid_mech%get_asReal('eps_rel_div(P)', defaultVal=5.0e-4_pREAL)
num%eps_stress_atol = num_grid_mech%get_asReal('eps_abs_P', defaultVal=1.0e3_pREAL) num%eps_stress_atol = num_grid_mech%get_asReal('eps_abs_P', defaultVal=1.0e3_pREAL)

6
src/grid/grid_mech_spectral_polarization.f90
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@ -146,9 +146,9 @@ subroutine grid_mechanical_spectral_polarization_init(num_grid)
num_grid_fft => num_grid%get_dict('FFT',defaultVal=emptyDict) num_grid_fft => num_grid%get_dict('FFT',defaultVal=emptyDict)
num_grid_mech => num_grid%get_dict('mechanical',defaultVal=emptyDict) num_grid_mech => num_grid%get_dict('mechanical',defaultVal=emptyDict)
num%itmin = num_grid_mech%get_asInt ('N_iter_min',defaultVal=1) num%itmin = num_grid_mech%get_asInt('N_iter_min',defaultVal=1)
num%itmax = num_grid_mech%get_asInt ('N_iter_max',defaultVal=100) num%itmax = num_grid_mech%get_asInt('N_iter_max',defaultVal=100)
num%update_gamma = num_grid_mech%get_asBool ('update_gamma',defaultVal=.false.) num%update_gamma = num_grid_mech%get_asBool('update_gamma',defaultVal=.false.)
num%eps_div_atol = num_grid_mech%get_asReal('eps_abs_div(P)', defaultVal=1.0e-4_pREAL) num%eps_div_atol = num_grid_mech%get_asReal('eps_abs_div(P)', defaultVal=1.0e-4_pREAL)
num%eps_div_rtol = num_grid_mech%get_asReal('eps_rel_div(P)', defaultVal=5.0e-4_pREAL) num%eps_div_rtol = num_grid_mech%get_asReal('eps_rel_div(P)', defaultVal=5.0e-4_pREAL)
num%eps_curl_atol = num_grid_mech%get_asReal('eps_abs_curl(F)',defaultVal=1.0e-10_pREAL) num%eps_curl_atol = num_grid_mech%get_asReal('eps_abs_curl(F)',defaultVal=1.0e-10_pREAL)

4
src/grid/spectral_utilities.f90
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@ -226,7 +226,7 @@ subroutine spectral_utilities_init()
scaledGeomSize = geomSize scaledGeomSize = geomSize
end if end if
select case(IO_lc(num_grid_fft%get_asStr('plan_mode',defaultVal='FFTW_MEASURE'))) select case(IO_lc(num_grid_fft%get_asStr('FFTW_plan_mode',defaultVal='FFTW_MEASURE')))
case('fftw_estimate', 'FFTW_ESTIMATE') ! ordered from slow execution (but fast plan creation) to fast execution case('fftw_estimate', 'FFTW_ESTIMATE') ! ordered from slow execution (but fast plan creation) to fast execution
FFTW_planner_flag = FFTW_ESTIMATE FFTW_planner_flag = FFTW_ESTIMATE
case('fftw_measure', 'FFTW_MEASURE') case('fftw_measure', 'FFTW_MEASURE')
@ -243,7 +243,7 @@ subroutine spectral_utilities_init()
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! general initialization of FFTW (see manual on fftw.org for more details) ! general initialization of FFTW (see manual on fftw.org for more details)
if (pREAL /= C_DOUBLE .or. kind(1) /= C_INT) error stop 'C and Fortran datatypes do not match' if (pREAL /= C_DOUBLE .or. kind(1) /= C_INT) error stop 'C and Fortran datatypes do not match'
call fftw_set_timelimit(num_grid_fft%get_asReal('fftw_timelimit',defaultVal=300.0_pREAL)) call fftw_set_timelimit(num_grid_fft%get_asReal('FFTW_timelimit',defaultVal=300.0_pREAL))
print'(/,1x,a)', 'FFTW initialized'; flush(IO_STDOUT) print'(/,1x,a)', 'FFTW initialized'; flush(IO_STDOUT)