Merge branch 'development' into 3-adding-plastic-constitutive-law-with-kinematic-hardening
This commit is contained in:
Martin Diehl
commit
9072179c61
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@ -67,7 +67,7 @@ maxCutBack 3 # maximum cut back level (0: 1, 1: 0.5, 2
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memory_efficient 1 # Precalculate Gamma-operator (81 double per point)
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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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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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divergence_correction 2 # Use size-independent divergence criterion
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spectralsolver basicPETSc # Type of spectral solver (basicPETSc: basic with PETSc, AL: augmented Lagrange)
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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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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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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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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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@ -166,7 +166,6 @@ if ("${PROJECT_NAME}" STREQUAL "DAMASK_spectral")
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add_library(SPECTRAL_SOLVER OBJECT
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add_library(SPECTRAL_SOLVER OBJECT
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"spectral_thermal.f90"
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"spectral_thermal.f90"
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"spectral_damage.f90"
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"spectral_damage.f90"
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"spectral_mech_AL.f90"
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"spectral_mech_Polarisation.f90"
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"spectral_mech_Polarisation.f90"
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"spectral_mech_Basic.f90")
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"spectral_mech_Basic.f90")
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add_dependencies(SPECTRAL_SOLVER SPECTRAL_UTILITIES)
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add_dependencies(SPECTRAL_SOLVER SPECTRAL_UTILITIES)
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@ -80,7 +80,6 @@ program DAMASK_spectral
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FIELD_THERMAL_ID, &
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FIELD_THERMAL_ID, &
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FIELD_DAMAGE_ID
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FIELD_DAMAGE_ID
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use spectral_mech_Basic
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use spectral_mech_Basic
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use spectral_mech_AL
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use spectral_mech_Polarisation
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use spectral_mech_Polarisation
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use spectral_damage
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use spectral_damage
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use spectral_thermal
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use spectral_thermal
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@ -367,10 +366,6 @@ program DAMASK_spectral
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select case (spectral_solver)
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select case (spectral_solver)
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case (DAMASK_spectral_SolverBasicPETSc_label)
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case (DAMASK_spectral_SolverBasicPETSc_label)
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call basicPETSc_init
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call basicPETSc_init
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case (DAMASK_spectral_SolverAL_label)
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if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) &
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call IO_warning(42_pInt, ext_msg='debug Divergence')
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call AL_init
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case (DAMASK_spectral_SolverPolarisation_label)
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case (DAMASK_spectral_SolverPolarisation_label)
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if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) &
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if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) &
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@ -534,12 +529,7 @@ program DAMASK_spectral
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deformation_BC = loadCases(currentLoadCase)%deformation, &
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deformation_BC = loadCases(currentLoadCase)%deformation, &
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stress_BC = loadCases(currentLoadCase)%stress, &
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stress_BC = loadCases(currentLoadCase)%stress, &
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rotation_BC = loadCases(currentLoadCase)%rotation)
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rotation_BC = loadCases(currentLoadCase)%rotation)
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case (DAMASK_spectral_SolverAL_label)
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call AL_forward (&
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guess,timeinc,timeIncOld,remainingLoadCaseTime, &
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deformation_BC = loadCases(currentLoadCase)%deformation, &
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stress_BC = loadCases(currentLoadCase)%stress, &
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rotation_BC = loadCases(currentLoadCase)%rotation)
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case (DAMASK_spectral_SolverPolarisation_label)
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case (DAMASK_spectral_SolverPolarisation_label)
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call Polarisation_forward (&
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call Polarisation_forward (&
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guess,timeinc,timeIncOld,remainingLoadCaseTime, &
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guess,timeinc,timeIncOld,remainingLoadCaseTime, &
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@ -568,12 +558,6 @@ program DAMASK_spectral
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stress_BC = loadCases(currentLoadCase)%stress, &
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stress_BC = loadCases(currentLoadCase)%stress, &
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rotation_BC = loadCases(currentLoadCase)%rotation)
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rotation_BC = loadCases(currentLoadCase)%rotation)
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case (DAMASK_spectral_SolverAL_label)
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solres(field) = AL_solution (&
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incInfo,timeinc,timeIncOld, &
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stress_BC = loadCases(currentLoadCase)%stress, &
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rotation_BC = loadCases(currentLoadCase)%rotation)
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case (DAMASK_spectral_SolverPolarisation_label)
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case (DAMASK_spectral_SolverPolarisation_label)
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solres(field) = Polarisation_solution (&
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solres(field) = Polarisation_solution (&
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incInfo,timeinc,timeIncOld, &
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incInfo,timeinc,timeIncOld, &
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@ -702,8 +686,6 @@ subroutine quit(stop_id)
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pInt
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pInt
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use spectral_mech_Basic, only: &
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use spectral_mech_Basic, only: &
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BasicPETSC_destroy
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BasicPETSC_destroy
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use spectral_mech_AL, only: &
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AL_destroy
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use spectral_mech_Polarisation, only: &
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use spectral_mech_Polarisation, only: &
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Polarisation_destroy
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Polarisation_destroy
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use spectral_damage, only: &
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use spectral_damage, only: &
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@ -727,7 +709,6 @@ subroutine quit(stop_id)
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MPI_finalize
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MPI_finalize
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call BasicPETSC_destroy()
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call BasicPETSC_destroy()
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call AL_destroy()
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call Polarisation_destroy()
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call Polarisation_destroy()
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call spectral_damage_destroy()
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call spectral_damage_destroy()
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call spectral_thermal_destroy()
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call spectral_thermal_destroy()
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@ -1,723 +0,0 @@
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!--------------------------------------------------------------------------------------------------
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!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief AL scheme solver
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!--------------------------------------------------------------------------------------------------
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module spectral_mech_AL
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use prec, only: &
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pInt, &
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pReal
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use math, only: &
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math_I3
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use spectral_utilities, only: &
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tSolutionState, &
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tSolutionParams
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implicit none
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private
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#include <petsc/finclude/petsc.h90>
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character (len=*), parameter, public :: &
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DAMASK_spectral_solverAL_label = 'al'
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!--------------------------------------------------------------------------------------------------
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! derived types
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type(tSolutionParams), private :: params
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real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
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!--------------------------------------------------------------------------------------------------
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! PETSc data
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DM, private :: da
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SNES, private :: snes
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Vec, private :: solution_vec
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!--------------------------------------------------------------------------------------------------
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! common pointwise data
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real(pReal), private, dimension(:,:,:,:,:), allocatable :: &
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F_lastInc, & !< field of previous compatible deformation gradients
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F_lambda_lastInc, & !< field of previous incompatible deformation gradient
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Fdot, & !< field of assumed rate of compatible deformation gradient
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F_lambdaDot !< field of assumed rate of incopatible deformation gradient
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!--------------------------------------------------------------------------------------------------
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! stress, stiffness and compliance average etc.
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real(pReal), private, dimension(3,3) :: &
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F_aimDot = 0.0_pReal, & !< assumed rate of average deformation gradient
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F_aim = math_I3, & !< current prescribed deformation gradient
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F_aim_lastInc = math_I3, & !< previous average deformation gradient
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F_av = 0.0_pReal, & !< average incompatible def grad field
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P_av = 0.0_pReal, & !< average 1st Piola--Kirchhoff stress
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P_avLastEval = 0.0_pReal !< average 1st Piola--Kirchhoff stress last call of CPFEM_general
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character(len=1024), private :: incInfo !< time and increment information
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real(pReal), private, dimension(3,3,3,3) :: &
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C_volAvg = 0.0_pReal, & !< current volume average stiffness
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C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
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C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
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C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness
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S = 0.0_pReal, & !< current compliance (filled up with zeros)
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C_scale = 0.0_pReal, &
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S_scale = 0.0_pReal
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real(pReal), private :: &
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err_BC, & !< deviation from stress BC
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err_curl, & !< RMS of curl of F
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err_div !< RMS of div of P
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integer(pInt), private :: &
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totalIter = 0_pInt !< total iteration in current increment
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public :: &
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AL_init, &
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AL_solution, &
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AL_forward, &
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AL_destroy
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external :: &
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PETScFinalize, &
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MPI_Abort, &
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MPI_Bcast, &
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MPI_Allreduce
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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief allocates all necessary fields and fills them with data, potentially from restart info
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!> @todo use sourced allocation, e.g. allocate(Fdot,source = F_lastInc)
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!--------------------------------------------------------------------------------------------------
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subroutine AL_init
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#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
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use, intrinsic :: iso_fortran_env, only: &
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compiler_version, &
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compiler_options
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#endif
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use IO, only: &
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IO_intOut, &
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IO_read_realFile, &
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IO_timeStamp
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use debug, only: &
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debug_level, &
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debug_spectral, &
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debug_spectralRestart
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use FEsolving, only: &
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restartInc
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use numerics, only: &
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worldrank, &
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worldsize
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use homogenization, only: &
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materialpoint_F0
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use DAMASK_interface, only: &
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getSolverJobName
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use spectral_utilities, only: &
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Utilities_constitutiveResponse, &
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Utilities_updateGamma, &
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Utilities_updateIPcoords, &
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wgt
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use mesh, only: &
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grid, &
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grid3
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use math, only: &
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math_invSym3333
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implicit none
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real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: P
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real(pReal), dimension(3,3) :: &
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temp33_Real = 0.0_pReal
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PetscErrorCode :: ierr
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PetscScalar, pointer, dimension(:,:,:,:) :: &
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FandF_lambda, & ! overall pointer to solution data
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F, & ! specific (sub)pointer
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F_lambda ! specific (sub)pointer
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integer(pInt), dimension(:), allocatable :: localK
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integer(pInt) :: proc
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character(len=1024) :: rankStr
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external :: &
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SNESCreate, &
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SNESSetOptionsPrefix, &
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DMDACreate3D, &
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SNESSetDM, &
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DMCreateGlobalVector, &
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DMDASNESSetFunctionLocal, &
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SNESGetConvergedReason, &
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|
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SNESSetConvergenceTest, &
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SNESSetFromOptions
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write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverAL init -+>>>'
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write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity, 66:31–45, 2015'
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write(6,'(/,a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
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write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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#include "compilation_info.f90"
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!--------------------------------------------------------------------------------------------------
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||||||
! allocate global fields
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allocate (F_lastInc (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
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||||||
allocate (Fdot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
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allocate (F_lambda_lastInc(3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
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allocate (F_lambdaDot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
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||||||
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||||||
!--------------------------------------------------------------------------------------------------
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||||||
! initialize solver specific parts of PETSc
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|
||||||
call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
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||||||
call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
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||||||
allocate(localK(worldsize), source = 0); localK(worldrank+1) = grid3
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do proc = 1, worldsize
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||||||
call MPI_Bcast(localK(proc),1,MPI_INTEGER,proc-1,PETSC_COMM_WORLD,ierr)
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|
||||||
enddo
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|
||||||
call DMDACreate3d(PETSC_COMM_WORLD, &
|
|
||||||
DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary
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|
||||||
DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point
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|
||||||
grid(1),grid(2),grid(3), & ! global grid
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|
||||||
1 , 1, worldsize, &
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|
||||||
18, 0, & ! #dof (F tensor), ghost boundary width (domain overlap)
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|
||||||
grid(1),grid(2),localK, & ! local grid
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|
||||||
da,ierr) ! handle, error
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|
||||||
CHKERRQ(ierr)
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||||||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da
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|
||||||
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
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|
||||||
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,AL_formResidual,PETSC_NULL_OBJECT,ierr) ! residual vector of same shape as solution vector
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|
||||||
CHKERRQ(ierr)
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|
||||||
call SNESSetConvergenceTest(snes,AL_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
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|
||||||
CHKERRQ(ierr)
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|
||||||
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
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|
||||||
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|
||||||
!--------------------------------------------------------------------------------------------------
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|
||||||
! init fields
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|
||||||
call DMDAVecGetArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr) ! places pointer on PETSc data
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|
||||||
F => FandF_lambda( 0: 8,:,:,:)
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|
||||||
F_lambda => FandF_lambda( 9:17,:,:,:)
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|
||||||
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|
||||||
restart: if (restartInc > 0_pInt) then
|
|
||||||
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0) then
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|
||||||
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
|
|
||||||
'reading values of increment ', restartInc, ' from file'
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|
||||||
flush(6)
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|
||||||
endif
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|
||||||
write(rankStr,'(a1,i0)')'_',worldrank
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|
||||||
call IO_read_realFile(777,'F'//trim(rankStr),trim(getSolverJobName()),size(F))
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|
||||||
read (777,rec=1) F; close (777)
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|
||||||
call IO_read_realFile(777,'F_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lastInc))
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|
||||||
read (777,rec=1) F_lastInc; close (777)
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|
||||||
call IO_read_realFile(777,'F_lambda'//trim(rankStr),trim(getSolverJobName()),size(F_lambda))
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|
||||||
read (777,rec=1) F_lambda; close (777)
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|
||||||
call IO_read_realFile(777,'F_lambda_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lambda_lastInc))
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|
||||||
read (777,rec=1) F_lambda_lastInc; close (777)
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|
||||||
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(F_aimDot))
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|
||||||
read (777,rec=1) F_aimDot; close (777)
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|
||||||
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
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|
||||||
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
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|
||||||
elseif (restartInc == 0_pInt) then restart
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|
||||||
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
|
||||||
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
|
||||||
F_lambda = F
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|
||||||
F_lambda_lastInc = F_lastInc
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|
||||||
endif restart
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|
||||||
|
|
||||||
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
|
||||||
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
|
|
||||||
call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
|
|
||||||
reshape(F,shape(F_lastInc)), & ! target F
|
|
||||||
0.0_pReal, & ! time increment
|
|
||||||
math_I3) ! no rotation of boundary condition
|
|
||||||
nullify(F)
|
|
||||||
nullify(F_lambda)
|
|
||||||
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
|
||||||
|
|
||||||
restartRead: if (restartInc > 0_pInt) then
|
|
||||||
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
|
|
||||||
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
|
|
||||||
'reading more values of increment ', restartInc, ' from file'
|
|
||||||
flush(6)
|
|
||||||
call IO_read_realFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
|
|
||||||
read (777,rec=1) C_volAvg; close (777)
|
|
||||||
call IO_read_realFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc))
|
|
||||||
read (777,rec=1) C_volAvgLastInc; close (777)
|
|
||||||
call IO_read_realFile(777,'C_ref',trim(getSolverJobName()),size(C_minMaxAvg))
|
|
||||||
read (777,rec=1) C_minMaxAvg; close (777)
|
|
||||||
endif restartRead
|
|
||||||
|
|
||||||
call Utilities_updateGamma(C_minMaxAvg,.true.)
|
|
||||||
C_scale = C_minMaxAvg
|
|
||||||
S_scale = math_invSym3333(C_minMaxAvg)
|
|
||||||
|
|
||||||
end subroutine AL_init
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief solution for the AL scheme with internal iterations
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
type(tSolutionState) function AL_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
|
|
||||||
use IO, only: &
|
|
||||||
IO_error
|
|
||||||
use numerics, only: &
|
|
||||||
update_gamma
|
|
||||||
use math, only: &
|
|
||||||
math_invSym3333
|
|
||||||
use spectral_utilities, only: &
|
|
||||||
tBoundaryCondition, &
|
|
||||||
Utilities_maskedCompliance, &
|
|
||||||
Utilities_updateGamma
|
|
||||||
use FEsolving, only: &
|
|
||||||
restartWrite, &
|
|
||||||
terminallyIll
|
|
||||||
|
|
||||||
implicit none
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! input data for solution
|
|
||||||
character(len=*), intent(in) :: &
|
|
||||||
incInfoIn
|
|
||||||
real(pReal), intent(in) :: &
|
|
||||||
timeinc, & !< increment time for current solution
|
|
||||||
timeinc_old !< increment time of last successful increment
|
|
||||||
type(tBoundaryCondition), intent(in) :: &
|
|
||||||
stress_BC
|
|
||||||
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! PETSc Data
|
|
||||||
PetscErrorCode :: ierr
|
|
||||||
SNESConvergedReason :: reason
|
|
||||||
|
|
||||||
external :: &
|
|
||||||
SNESSolve, &
|
|
||||||
SNESGetConvergedReason
|
|
||||||
|
|
||||||
incInfo = incInfoIn
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! update stiffness (and gamma operator)
|
|
||||||
S = Utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg)
|
|
||||||
if (update_gamma) then
|
|
||||||
call Utilities_updateGamma(C_minMaxAvg,restartWrite)
|
|
||||||
C_scale = C_minMaxAvg
|
|
||||||
S_scale = math_invSym3333(C_minMaxAvg)
|
|
||||||
endif
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! set module wide availabe data
|
|
||||||
mask_stress = stress_BC%maskFloat
|
|
||||||
params%stress_BC = stress_BC%values
|
|
||||||
params%rotation_BC = rotation_BC
|
|
||||||
params%timeinc = timeinc
|
|
||||||
params%timeincOld = timeinc_old
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! solve BVP
|
|
||||||
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr); CHKERRQ(ierr)
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! check convergence
|
|
||||||
call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
|
|
||||||
|
|
||||||
AL_solution%converged = reason > 0
|
|
||||||
AL_solution%iterationsNeeded = totalIter
|
|
||||||
AL_solution%termIll = terminallyIll
|
|
||||||
terminallyIll = .false.
|
|
||||||
if (reason == -4) call IO_error(893_pInt) ! MPI error
|
|
||||||
|
|
||||||
end function AL_solution
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief forms the AL residual vector
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|
||||||
use numerics, only: &
|
|
||||||
itmax, &
|
|
||||||
itmin, &
|
|
||||||
polarAlpha, &
|
|
||||||
polarBeta
|
|
||||||
use mesh, only: &
|
|
||||||
grid, &
|
|
||||||
grid3
|
|
||||||
use IO, only: &
|
|
||||||
IO_intOut
|
|
||||||
use math, only: &
|
|
||||||
math_rotate_backward33, &
|
|
||||||
math_transpose33, &
|
|
||||||
math_mul3333xx33, &
|
|
||||||
math_invSym3333, &
|
|
||||||
math_mul33x33
|
|
||||||
use debug, only: &
|
|
||||||
debug_level, &
|
|
||||||
debug_spectral, &
|
|
||||||
debug_spectralRotation
|
|
||||||
use spectral_utilities, only: &
|
|
||||||
wgt, &
|
|
||||||
tensorField_real, &
|
|
||||||
utilities_FFTtensorForward, &
|
|
||||||
utilities_fourierGammaConvolution, &
|
|
||||||
utilities_FFTtensorBackward, &
|
|
||||||
Utilities_constitutiveResponse, &
|
|
||||||
Utilities_divergenceRMS, &
|
|
||||||
Utilities_curlRMS
|
|
||||||
use homogenization, only: &
|
|
||||||
materialpoint_dPdF
|
|
||||||
use FEsolving, only: &
|
|
||||||
terminallyIll
|
|
||||||
|
|
||||||
implicit none
|
|
||||||
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in
|
|
||||||
PetscScalar, &
|
|
||||||
target, dimension(3,3,2, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: x_scal !< what is this?
|
|
||||||
PetscScalar, &
|
|
||||||
target, dimension(3,3,2, X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: f_scal !< what is this?
|
|
||||||
PetscScalar, pointer, dimension(:,:,:,:,:) :: &
|
|
||||||
F, &
|
|
||||||
F_lambda, &
|
|
||||||
residual_F, &
|
|
||||||
residual_F_lambda
|
|
||||||
PetscInt :: &
|
|
||||||
PETScIter, &
|
|
||||||
nfuncs
|
|
||||||
PetscObject :: dummy
|
|
||||||
PetscErrorCode :: ierr
|
|
||||||
integer(pInt) :: &
|
|
||||||
i, j, k, e
|
|
||||||
|
|
||||||
external :: &
|
|
||||||
SNESGetNumberFunctionEvals, &
|
|
||||||
SNESGetIterationNumber
|
|
||||||
|
|
||||||
F => x_scal(1:3,1:3,1,&
|
|
||||||
XG_RANGE,YG_RANGE,ZG_RANGE)
|
|
||||||
F_lambda => x_scal(1:3,1:3,2,&
|
|
||||||
XG_RANGE,YG_RANGE,ZG_RANGE)
|
|
||||||
residual_F => f_scal(1:3,1:3,1,&
|
|
||||||
X_RANGE, Y_RANGE, Z_RANGE)
|
|
||||||
residual_F_lambda => f_scal(1:3,1:3,2,&
|
|
||||||
X_RANGE, Y_RANGE, Z_RANGE)
|
|
||||||
|
|
||||||
F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt
|
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
|
||||||
|
|
||||||
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
|
||||||
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
|
||||||
|
|
||||||
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! begin of new iteration
|
|
||||||
newIteration: if (totalIter <= PETScIter) then
|
|
||||||
totalIter = totalIter + 1_pInt
|
|
||||||
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') &
|
|
||||||
trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
|
||||||
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
|
||||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
|
||||||
' deformation gradient aim (lab) =', math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
|
||||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
|
||||||
' deformation gradient aim =', math_transpose33(F_aim)
|
|
||||||
flush(6)
|
|
||||||
endif newIteration
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!
|
|
||||||
tensorField_real = 0.0_pReal
|
|
||||||
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
|
|
||||||
tensorField_real(1:3,1:3,i,j,k) = &
|
|
||||||
polarBeta*math_mul3333xx33(C_scale,F(1:3,1:3,i,j,k) - math_I3) -&
|
|
||||||
polarAlpha*math_mul33x33(F(1:3,1:3,i,j,k), &
|
|
||||||
math_mul3333xx33(C_scale,F_lambda(1:3,1:3,i,j,k) - math_I3))
|
|
||||||
enddo; enddo; enddo
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! doing convolution in Fourier space
|
|
||||||
call utilities_FFTtensorForward()
|
|
||||||
call utilities_fourierGammaConvolution(math_rotate_backward33(polarBeta*F_aim,params%rotation_BC))
|
|
||||||
call utilities_FFTtensorBackward()
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! constructing F_lambda residual
|
|
||||||
residual_F_lambda = polarBeta*F - tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) !< eq (16) in doi: 10.1016/j.ijplas.2014.02.006
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! evaluate constitutive response
|
|
||||||
P_avLastEval = P_av
|
|
||||||
|
|
||||||
call Utilities_constitutiveResponse(residual_F,P_av,C_volAvg,C_minMaxAvg, &
|
|
||||||
F - residual_F_lambda/polarBeta,params%timeinc, params%rotation_BC)
|
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! calculate divergence
|
|
||||||
tensorField_real = 0.0_pReal
|
|
||||||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residual_F !< stress field in disguise
|
|
||||||
call utilities_FFTtensorForward()
|
|
||||||
err_div = Utilities_divergenceRMS() !< root mean squared error in divergence of stress
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! constructing residual
|
|
||||||
e = 0_pInt
|
|
||||||
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
|
|
||||||
e = e + 1_pInt
|
|
||||||
residual_F(1:3,1:3,i,j,k) = math_mul3333xx33(math_invSym3333(materialpoint_dPdF(1:3,1:3,1:3,1:3,1,e) + C_scale), &
|
|
||||||
residual_F(1:3,1:3,i,j,k) - &
|
|
||||||
math_mul33x33(F(1:3,1:3,i,j,k), &
|
|
||||||
math_mul3333xx33(C_scale,F_lambda(1:3,1:3,i,j,k) - math_I3))) &
|
|
||||||
+ residual_F_lambda(1:3,1:3,i,j,k) !< eq (16) in doi: 10.1016/j.ijplas.2014.02.006
|
|
||||||
enddo; enddo; enddo
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! calculating curl
|
|
||||||
tensorField_real = 0.0_pReal
|
|
||||||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = F
|
|
||||||
call utilities_FFTtensorForward()
|
|
||||||
err_curl = Utilities_curlRMS()
|
|
||||||
|
|
||||||
nullify(F)
|
|
||||||
nullify(F_lambda)
|
|
||||||
nullify(residual_F)
|
|
||||||
nullify(residual_F_lambda)
|
|
||||||
end subroutine AL_formResidual
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief convergence check
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
|
|
||||||
use numerics, only: &
|
|
||||||
itmax, &
|
|
||||||
itmin, &
|
|
||||||
err_div_tolRel, &
|
|
||||||
err_div_tolAbs, &
|
|
||||||
err_curl_tolRel, &
|
|
||||||
err_curl_tolAbs, &
|
|
||||||
err_stress_tolRel, &
|
|
||||||
err_stress_tolAbs
|
|
||||||
use math, only: &
|
|
||||||
math_mul3333xx33
|
|
||||||
use FEsolving, only: &
|
|
||||||
terminallyIll
|
|
||||||
|
|
||||||
implicit none
|
|
||||||
SNES :: snes_local
|
|
||||||
PetscInt :: PETScIter
|
|
||||||
PetscReal :: &
|
|
||||||
xnorm, &
|
|
||||||
snorm, &
|
|
||||||
fnorm
|
|
||||||
SNESConvergedReason :: reason
|
|
||||||
PetscObject :: dummy
|
|
||||||
PetscErrorCode :: ierr
|
|
||||||
real(pReal) :: &
|
|
||||||
curlTol, &
|
|
||||||
divTol, &
|
|
||||||
BCTol
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! stress BC handling
|
|
||||||
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
|
|
||||||
err_BC = maxval(abs((1.0_pReal-mask_stress) * math_mul3333xx33(C_scale,F_aim-F_av) + &
|
|
||||||
mask_stress * (P_av-params%stress_BC))) ! mask = 0.0 for no bc
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! error calculation
|
|
||||||
curlTol = max(maxval(abs(F_aim-math_I3))*err_curl_tolRel ,err_curl_tolAbs)
|
|
||||||
divTol = max(maxval(abs(P_av)) *err_div_tolRel ,err_div_tolAbs)
|
|
||||||
BCTol = max(maxval(abs(P_av)) *err_stress_tolRel,err_stress_tolAbs)
|
|
||||||
|
|
||||||
converged: if ((totalIter >= itmin .and. &
|
|
||||||
all([ err_div /divTol, &
|
|
||||||
err_curl/curlTol, &
|
|
||||||
err_BC /BCTol ] < 1.0_pReal)) &
|
|
||||||
.or. terminallyIll) then
|
|
||||||
reason = 1
|
|
||||||
elseif (totalIter >= itmax) then converged
|
|
||||||
reason = -1
|
|
||||||
else converged
|
|
||||||
reason = 0
|
|
||||||
endif converged
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! report
|
|
||||||
write(6,'(1/,a)') ' ... reporting .............................................................'
|
|
||||||
write(6,'(/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
|
||||||
err_div/divTol, ' (',err_div, ' / m, tol = ',divTol,')'
|
|
||||||
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', &
|
|
||||||
err_curl/curlTol,' (',err_curl,' -, tol = ',curlTol,')'
|
|
||||||
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', &
|
|
||||||
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
|
||||||
write(6,'(/,a)') ' ==========================================================================='
|
|
||||||
flush(6)
|
|
||||||
|
|
||||||
end subroutine AL_converged
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief forwarding routine
|
|
||||||
!> @details find new boundary conditions and best F estimate for end of current timestep
|
|
||||||
!> possibly writing restart information, triggering of state increment in DAMASK, and updating of IPcoordinates
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
|
|
||||||
use math, only: &
|
|
||||||
math_mul33x33, &
|
|
||||||
math_mul3333xx33, &
|
|
||||||
math_transpose33, &
|
|
||||||
math_rotate_backward33
|
|
||||||
use numerics, only: &
|
|
||||||
worldrank
|
|
||||||
use homogenization, only: &
|
|
||||||
materialpoint_F0
|
|
||||||
use mesh, only: &
|
|
||||||
grid, &
|
|
||||||
grid3
|
|
||||||
use CPFEM2, only: &
|
|
||||||
CPFEM_age
|
|
||||||
use spectral_utilities, only: &
|
|
||||||
Utilities_calculateRate, &
|
|
||||||
Utilities_forwardField, &
|
|
||||||
Utilities_updateIPcoords, &
|
|
||||||
tBoundaryCondition, &
|
|
||||||
cutBack
|
|
||||||
use IO, only: &
|
|
||||||
IO_write_JobRealFile
|
|
||||||
use FEsolving, only: &
|
|
||||||
restartWrite
|
|
||||||
|
|
||||||
implicit none
|
|
||||||
logical, intent(in) :: &
|
|
||||||
guess
|
|
||||||
real(pReal), intent(in) :: &
|
|
||||||
timeinc_old, &
|
|
||||||
timeinc, &
|
|
||||||
loadCaseTime !< remaining time of current load case
|
|
||||||
type(tBoundaryCondition), intent(in) :: &
|
|
||||||
stress_BC, &
|
|
||||||
deformation_BC
|
|
||||||
real(pReal), dimension(3,3), intent(in) ::&
|
|
||||||
rotation_BC
|
|
||||||
PetscErrorCode :: ierr
|
|
||||||
PetscScalar, dimension(:,:,:,:), pointer :: FandF_lambda, F, F_lambda
|
|
||||||
integer(pInt) :: i, j, k
|
|
||||||
real(pReal), dimension(3,3) :: F_lambda33
|
|
||||||
character(len=32) :: rankStr
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! update coordinates and rate and forward last inc
|
|
||||||
call DMDAVecGetArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr)
|
|
||||||
F => FandF_lambda( 0: 8,:,:,:)
|
|
||||||
F_lambda => FandF_lambda( 9:17,:,:,:)
|
|
||||||
|
|
||||||
if (cutBack) then
|
|
||||||
C_volAvg = C_volAvgLastInc ! QUESTION: where is this required?
|
|
||||||
C_minMaxAvg = C_minMaxAvgLastInc ! QUESTION: where is this required?
|
|
||||||
else
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! restart information for spectral solver
|
|
||||||
if (restartWrite) then ! QUESTION: where is this logical properly set?
|
|
||||||
write(6,'(/,a)') ' writing converged results for restart'
|
|
||||||
flush(6)
|
|
||||||
|
|
||||||
if (worldrank == 0_pInt) then
|
|
||||||
call IO_write_jobRealFile(777,'C_volAvg',size(C_volAvg))
|
|
||||||
write (777,rec=1) C_volAvg; close(777)
|
|
||||||
call IO_write_jobRealFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
|
|
||||||
write (777,rec=1) C_volAvgLastInc; close(777)
|
|
||||||
! call IO_write_jobRealFile(777,'C_minMaxAvg',size(C_volAvg))
|
|
||||||
! write (777,rec=1) C_minMaxAvg; close(777)
|
|
||||||
! call IO_write_jobRealFile(777,'C_minMaxAvgLastInc',size(C_volAvgLastInc))
|
|
||||||
! write (777,rec=1) C_minMaxAvgLastInc; close(777)
|
|
||||||
call IO_write_jobRealFile(777,'F_aimDot',size(F_aimDot))
|
|
||||||
write (777,rec=1) F_aimDot; close(777)
|
|
||||||
endif
|
|
||||||
|
|
||||||
write(rankStr,'(a1,i0)')'_',worldrank
|
|
||||||
call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
|
|
||||||
write (777,rec=1) F; close (777)
|
|
||||||
call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file
|
|
||||||
write (777,rec=1) F_lastInc; close (777)
|
|
||||||
call IO_write_jobRealFile(777,'F_lambda'//trim(rankStr),size(F_lambda)) ! writing deformation gradient field to file
|
|
||||||
write (777,rec=1) F_lambda; close (777)
|
|
||||||
call IO_write_jobRealFile(777,'F_lambda_lastInc'//trim(rankStr),size(F_lambda_lastInc)) ! writing F_lastInc field to file
|
|
||||||
write (777,rec=1) F_lambda_lastInc; close (777)
|
|
||||||
endif
|
|
||||||
|
|
||||||
call CPFEM_age() ! age state and kinematics
|
|
||||||
call utilities_updateIPcoords(F)
|
|
||||||
|
|
||||||
C_volAvgLastInc = C_volAvg
|
|
||||||
C_minMaxAvgLastInc = C_minMaxAvg
|
|
||||||
|
|
||||||
if (guess) then ! QUESTION: better with a = L ? x:y
|
|
||||||
F_aimDot = stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old ! initialize with correction based on last inc
|
|
||||||
else
|
|
||||||
F_aimDot = 0.0_pReal
|
|
||||||
endif
|
|
||||||
F_aim_lastInc = F_aim
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! calculate rate for aim
|
|
||||||
if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F
|
|
||||||
F_aimDot = &
|
|
||||||
F_aimDot + deformation_BC%maskFloat * math_mul33x33(deformation_BC%values, F_aim_lastInc)
|
|
||||||
elseif(deformation_BC%myType=='fdot') then ! F_aimDot is prescribed
|
|
||||||
F_aimDot = &
|
|
||||||
F_aimDot + deformation_BC%maskFloat * deformation_BC%values
|
|
||||||
elseif (deformation_BC%myType=='f') then ! aim at end of load case is prescribed
|
|
||||||
F_aimDot = &
|
|
||||||
F_aimDot + deformation_BC%maskFloat * (deformation_BC%values - F_aim_lastInc)/loadCaseTime
|
|
||||||
endif
|
|
||||||
|
|
||||||
|
|
||||||
Fdot = Utilities_calculateRate(guess, &
|
|
||||||
F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),timeinc_old, &
|
|
||||||
math_rotate_backward33(F_aimDot,rotation_BC))
|
|
||||||
F_lambdaDot = Utilities_calculateRate(guess, &
|
|
||||||
F_lambda_lastInc,reshape(F_lambda,[3,3,grid(1),grid(2),grid3]), timeinc_old, &
|
|
||||||
math_rotate_backward33(F_aimDot,rotation_BC))
|
|
||||||
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3]) ! winding F forward
|
|
||||||
F_lambda_lastInc = reshape(F_lambda, [3,3,grid(1),grid(2),grid3]) ! winding F_lambda forward
|
|
||||||
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
|
||||||
endif
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! update average and local deformation gradients
|
|
||||||
F_aim = F_aim_lastInc + F_aimDot * timeinc
|
|
||||||
|
|
||||||
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average
|
|
||||||
math_rotate_backward33(F_aim,rotation_BC)),&
|
|
||||||
[9,grid(1),grid(2),grid3])
|
|
||||||
if (guess) then
|
|
||||||
F_lambda = reshape(Utilities_forwardField(timeinc,F_lambda_lastInc,F_lambdadot), &
|
|
||||||
[9,grid(1),grid(2),grid3]) ! does not have any average value as boundary condition
|
|
||||||
else
|
|
||||||
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
|
|
||||||
F_lambda33 = reshape(F_lambda(1:9,i,j,k),[3,3])
|
|
||||||
F_lambda33 = math_mul3333xx33(S_scale,math_mul33x33(F_lambda33, &
|
|
||||||
math_mul3333xx33(C_scale,&
|
|
||||||
math_mul33x33(math_transpose33(F_lambda33),&
|
|
||||||
F_lambda33) -math_I3))*0.5_pReal)&
|
|
||||||
+ math_I3
|
|
||||||
F_lambda(1:9,i,j,k) = reshape(F_lambda33,[9])
|
|
||||||
enddo; enddo; enddo
|
|
||||||
endif
|
|
||||||
|
|
||||||
nullify(F)
|
|
||||||
nullify(F_lambda)
|
|
||||||
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr)
|
|
||||||
|
|
||||||
end subroutine AL_forward
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief destroy routine
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
subroutine AL_destroy()
|
|
||||||
use spectral_utilities, only: &
|
|
||||||
Utilities_destroy
|
|
||||||
|
|
||||||
implicit none
|
|
||||||
PetscErrorCode :: ierr
|
|
||||||
|
|
||||||
external :: &
|
|
||||||
VecDestroy, &
|
|
||||||
SNESDestroy, &
|
|
||||||
DMDestroy
|
|
||||||
|
|
||||||
call VecDestroy(solution_vec,ierr); CHKERRQ(ierr)
|
|
||||||
call SNESDestroy(snes,ierr); CHKERRQ(ierr)
|
|
||||||
call DMDestroy(da,ierr); CHKERRQ(ierr)
|
|
||||||
|
|
||||||
end subroutine AL_destroy
|
|
||||||
|
|
||||||
end module spectral_mech_AL
|
|
||||||
Loading…
Reference in New Issue