mixed things up, did not want to commit constitutive_nonlocal.f90 but rather DAMASK_spectral.f90!!!!
did a lot of polishing on constitutive_nonlocal.f90 (mostly checked in at last commit), for changes on DAMASK_spectral.f90 see previous message
This commit is contained in:
Martin Diehl
parent
a98832100f
commit
478a6d110c
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@ -38,6 +38,7 @@
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!##################################################################################################
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program DAMASK_spectral
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
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use DAMASK_interface
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use prec, only: pInt, pReal, DAMASK_NaN
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use IO
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@ -50,9 +51,8 @@ program DAMASK_spectral
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use kdtree2_module
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use CPFEM, only: CPFEM_general, CPFEM_initAll
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use FEsolving, only: restartWrite, restartInc
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use numerics, only: err_div_tol, err_stress_tolrel, rotation_tol, itmax, &
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memory_efficient, update_gamma, &
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simplified_algorithm, divergence_correction, &
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use numerics, only: err_div_tol, err_stress_tolrel, rotation_tol, itmax, itmin, &
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memory_efficient, update_gamma, divergence_correction, &
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DAMASK_NumThreadsInt, &
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fftw_planner_flag, fftw_timelimit
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use homogenization, only: materialpoint_sizeResults, materialpoint_results
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@ -81,6 +81,9 @@ program DAMASK_spectral
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logical :: gotResolution = .false.,&
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gotDimension = .false.,&
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gotHomogenization = .false.
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!--------------------------------------------------------------------------------------------------
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! variable storing information from load case file
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type bc_type
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real(pReal), dimension (3,3) :: deformation = 0.0_pReal, & ! applied velocity gradient or time derivative of deformation gradient
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stress = 0.0_pReal, & ! stress BC (if applicable)
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@ -99,12 +102,11 @@ program DAMASK_spectral
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end type
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type(bc_type), allocatable, dimension(:) :: bc
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character(len=6) :: loadcase_string
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!--------------------------------------------------------------------------------------------------
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! variables storing information from geom file
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real(pReal) :: wgt
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real(pReal), dimension(3) :: geomdim = 0.0_pReal ! physical dimension of volume element per direction
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real(pReal), dimension(3) :: geomdim = 0.0_pReal, virt_dim = 0.0_pReal ! physical dimension of volume element per direction
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integer(pInt) :: Npoints,& ! number of Fourier points
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homog ! homogenization scheme used
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integer(pInt), dimension(3) :: res = 1_pInt ! resolution (number of Fourier points) in each direction
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@ -115,8 +117,8 @@ program DAMASK_spectral
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real(pReal), dimension(3,3) :: pstress, pstress_av, &
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defgradAim = math_I3, defgradAimOld = math_I3,&
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mask_stress, mask_defgrad, deltaF, &
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pstress_av_lab, defgradAim_lab, defgrad_av_lab ! quantities rotated to other coordinate system
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real(pReal), dimension(3,3,3,3) :: dPdF, c0_reference, c_current = 0.0_pReal, s_prev, c_prev,& ! stiffness and compliance
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pstress_av_lab, defgradAim_lab, defgradAim_lab_old ! quantities rotated to other coordinate system
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real(pReal), dimension(3,3,3,3) :: dPdF, c0_reference, c_current=0.0_pReal, s_prev, c_prev,& ! stiffness and compliance
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s0_reference
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real(pReal), dimension(6) :: cstress ! cauchy stress
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real(pReal), dimension(6,6) :: dsde, c0_66, s0_66 ! small strain stiffness
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@ -126,18 +128,16 @@ program DAMASK_spectral
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!--------------------------------------------------------------------------------------------------
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! pointwise data
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type(C_PTR) :: tensorField, tau ! fields in real an fourier space
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real(pReal), dimension(:,:,:,:,:), pointer :: tensorField_real ! fields in real space (pointer)
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real(pReal), dimension(:,:,:,:,:), pointer :: tau_real
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complex(pReal), dimension(:,:,:,:,:), pointer :: tensorField_fourier ! fields in fourier space (pointer)
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complex(pReal), dimension(:,:,:,:,:), pointer :: tau_fourier
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type(C_PTR) :: tensorField ! field in real an fourier space
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real(pReal), dimension(:,:,:,:,:), pointer :: tensorField_real ! field in real space (pointer)
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complex(pReal), dimension(:,:,:,:,:), pointer :: tensorField_fourier ! field in fourier space (pointer)
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real(pReal), dimension(:,:,:,:,:), allocatable :: defgrad, defgradold
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real(pReal), dimension(:,:,:,:), allocatable :: coordinates
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real(pReal), dimension(:,:,:), allocatable :: temperature
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!--------------------------------------------------------------------------------------------------
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! variables storing information for spectral method and FFTW
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type(C_PTR) :: plan_stress, plan_correction, plan_tau ! plans for fftw
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type(C_PTR) :: plan_stress, plan_correction ! plans for fftw
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real(pReal), dimension(3,3) :: xiDyad ! product of wave vectors
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real(pReal), dimension(:,:,:,:,:,:,:), allocatable :: gamma_hat ! gamma operator (field) for spectral method
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real(pReal), dimension(:,:,:,:), allocatable :: xi ! wave vector field for divergence and for gamma operator
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@ -156,7 +156,8 @@ program DAMASK_spectral
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ierr, totalIncsCounter = 0_pInt,&
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notConvergedCounter = 0_pInt, convergedCounter = 0_pInt
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logical :: errmatinv
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real(pReal) :: defgradDet, correctionFactor
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real(pReal) :: defgradDet
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character(len=6) :: loadcase_string
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!--------------------------------------------------------------------------------------------------
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!variables controlling debugging
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@ -184,10 +185,12 @@ program DAMASK_spectral
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complex(pReal), dimension(:,:,:), pointer :: scalarField_fourier
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integer(pInt) :: row, column
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!##################################################################################################
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! reading of information from load case file and geometry file
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!##################################################################################################
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!$ call omp_set_num_threads(DAMASK_NumThreadsInt) ! set number of threads for parallel execution set by DAMASK_NUM_THREADS
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open (output_unit, encoding='UTF-8')
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call DAMASK_interface_init()
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print '(a)', ''
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@ -223,7 +226,6 @@ program DAMASK_spectral
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100 N_Loadcases = N_n
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if ((N_l + N_Fdot /= N_n) .or. (N_n /= N_t)) & ! sanity check
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call IO_error(error_ID=837_pInt,ext_msg = trim(path)) ! error message for incomplete loadcase
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allocate (bc(N_Loadcases))
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!--------------------------------------------------------------------------------------------------
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@ -296,6 +298,7 @@ program DAMASK_spectral
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end select
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enddo; enddo
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101 close(myUnit)
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if (sum(bc(1:N_Loadcases)%incs)>9000_pInt) stop !discuss with Philip, stop code trouble. suggesting warning
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!-------------------------------------------------------------------------------------------------- ToDo: if temperature at CPFEM is treated properly, move this up immediately after interface init
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! initialization of all related DAMASK modules (e.g. mesh.f90 reads in geometry)
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@ -360,8 +363,7 @@ program DAMASK_spectral
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if (any(geomdim<=0.0_pReal)) call IO_error(error_ID = 802_pInt)
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if(mod(res(1),2_pInt)/=0_pInt .or.&
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mod(res(2),2_pInt)/=0_pInt .or.&
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(mod(res(3),2_pInt)/=0_pInt .and. res(3)/= 1_pInt))&
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call IO_error(error_ID = 803_pInt)
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(mod(res(3),2_pInt)/=0_pInt .and. res(3)/= 1_pInt)) call IO_error(error_ID = 803_pInt)
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!--------------------------------------------------------------------------------------------------
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! variables derived from resolution
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@ -426,10 +428,10 @@ program DAMASK_spectral
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if (any(abs(math_mul33x33(bc(loadcase)%rotation,math_transpose33(bc(loadcase)%rotation))&
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-math_I3) > reshape(spread(rotation_tol,1,9),[ 3,3]))&
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.or. abs(math_det33(bc(loadcase)%rotation)) > 1.0_pReal + rotation_tol)&
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errorID = 846_pInt ! given rotation matrix contains strain
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if (bc(loadcase)%time < 0.0_pReal) errorID = 834_pInt ! negative time increment
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if (bc(loadcase)%incs < 1_pInt) errorID = 835_pInt ! non-positive incs count
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if (bc(loadcase)%outputfrequency < 1_pInt) errorID = 836_pInt ! non-positive result frequency
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errorID = 846_pInt ! given rotation matrix contains strain
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if (bc(loadcase)%time < 0.0_pReal) errorID = 834_pInt ! negative time increment
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if (bc(loadcase)%incs < 1_pInt) errorID = 835_pInt ! non-positive incs count
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if (bc(loadcase)%outputfrequency < 1_pInt) errorID = 836_pInt ! non-positive result frequency
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if (errorID > 0_pInt) call IO_error(error_ID = errorID, ext_msg = loadcase_string)
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enddo
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@ -444,14 +446,14 @@ program DAMASK_spectral
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! initialization
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!##################################################################################################
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allocate (defgrad ( res(1), res(2),res(3),3,3)); defgrad = 0.0_pReal
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allocate (defgradold ( res(1), res(2),res(3),3,3)); defgradold = 0.0_pReal
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allocate (coordinates( res(1), res(2),res(3),3)); coordinates = 0.0_pReal
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allocate (temperature( res(1), res(2),res(3))); temperature = bc(1)%temperature ! start out isothermally
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allocate (xi (3,res1_red,res(2),res(3))); xi = 0.0_pReal
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tensorField = fftw_alloc_complex(int(res1_red*res(2)*res(3)*9_pInt,C_SIZE_T)) ! allocate continous data using a C function, C_SIZE_T is of type integer(8)
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call c_f_pointer(tensorField, tensorField_real, [ res(1)+2_pInt,res(2),res(3),3,3]) ! place a pointer for the real representation
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call c_f_pointer(tensorField, tensorField_fourier, [ res1_red, res(2),res(3),3,3]) ! place a pointer for the complex representation
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allocate (defgrad ( res(1), res(2),res(3),3,3), source = 0.0_pReal)
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allocate (defgradold ( res(1), res(2),res(3),3,3), source = 0.0_pReal)
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allocate (xi (3,res1_red,res(2),res(3)), source = 0.0_pReal)
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allocate (coordinates( res(1), res(2),res(3),3), source = 0.0_pReal)
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allocate (temperature( res(1), res(2),res(3)), source = bc(1)%temperature) ! start out isothermally
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tensorField = fftw_alloc_complex(int(res1_red*res(2)*res(3)*9_pInt,C_SIZE_T)) ! allocate continous data using a C function, C_SIZE_T is of type integer(8)
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call c_f_pointer(tensorField, tensorField_real, [ res(1)+2_pInt,res(2),res(3),3,3]) ! place a pointer for the real representation
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call c_f_pointer(tensorField, tensorField_fourier, [ res1_red, res(2),res(3),3,3]) ! place a pointer for the complex representation
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!--------------------------------------------------------------------------------------------------
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! init fields to no deformation
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@ -466,15 +468,15 @@ program DAMASK_spectral
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c_current = c_current + dPdF
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enddo; enddo; enddo
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c0_reference = c_current * wgt ! linear reference material stiffness
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c0_reference = c_current * wgt ! linear reference material stiffness
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c0_66 = math_Mandel3333to66(c0_reference)
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call math_invert(6_pInt, c0_66, s0_66, i, errmatinv) ! invert in mandel notation
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call math_invert(6_pInt, c0_66, s0_66, i, errmatinv) ! invert in mandel notation
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if(errmatinv) call IO_error(error_ID=400_pInt)
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s0_reference = math_Mandel66to3333(s0_66)
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!--------------------------------------------------------------------------------------------------
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! possible restore deformation gradient from saved state
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if (restartInc > 1_pInt) then ! using old values from file
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if (restartInc > 1_pInt) then ! using old values from file
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if (debugRestart) print '(a,i6,a)' , 'Reading values of increment ',&
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restartInc - 1_pInt,' from file'
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call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad',&
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@ -484,7 +486,7 @@ program DAMASK_spectral
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defgradold = defgrad
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defgradAim = 0.0_pReal
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do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
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defgradAim = defgradAim + defgrad(i,j,k,1:3,1:3) ! calculating old average deformation
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defgradAim = defgradAim + defgrad(i,j,k,1:3,1:3) ! calculating old average deformation
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enddo; enddo; enddo
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defgradAim = defgradAim * wgt
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defgradAimOld = defgradAim
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@ -492,6 +494,12 @@ program DAMASK_spectral
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!--------------------------------------------------------------------------------------------------
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! calculation of discrete angular frequencies, ordered as in FFTW (wrap around) and remove the given highest frequencies
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if (divergence_correction) then
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virt_dim = 1.0_pReal
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else
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virt_dim = geomdim
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endif
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do k = 1_pInt, res(3)
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k_s(3) = k - 1_pInt
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if(k > res(3)/2_pInt + 1_pInt) k_s(3) = k_s(3) - res(3)
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@ -500,15 +508,15 @@ program DAMASK_spectral
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if(j > res(2)/2_pInt + 1_pInt) k_s(2) = k_s(2) - res(2)
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do i = 1_pInt, res1_red
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k_s(1) = i - 1_pInt
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xi(1:3,i,j,k) = real(k_s, pReal)/geomdim
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xi(1:3,i,j,k) = real(k_s, pReal)/virt_dim
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enddo; enddo; enddo
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!--------------------------------------------------------------------------------------------------
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! calculate the gamma operator
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if(memory_efficient) then ! allocate just single fourth order tensor
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allocate (gamma_hat(1,1,1,3,3,3,3)); gamma_hat = 0.0_pReal
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allocate (gamma_hat(1,1,1,3,3,3,3), source = 0.0_pReal)
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else ! precalculation of gamma_hat field
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allocate (gamma_hat(res1_red ,res(2),res(3),3,3,3,3)); gamma_hat = 0.0_pReal
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allocate (gamma_hat(res1_red ,res(2),res(3),3,3,3,3), source =0.0_pReal)
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do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res1_red
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! if(k==res(3)/2 .or. k==res(3)/2+2 .or.&
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! j==res(2)/2 .or. j==res(2)/2+2 .or.&
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@ -542,9 +550,9 @@ program DAMASK_spectral
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!--------------------------------------------------------------------------------------------------
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! creating plans
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plan_stress = fftw_plan_many_dft_r2c(3,[ res(3),res(2) ,res(1)],9,& ! dimensions , length in each dimension in reversed order
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tensorField_real,[ res(3),res(2) ,res(1)+2_pInt],& ! input data , physical length in each dimension in reversed order
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1, res(3)*res(2)*(res(1)+2_pInt),& ! striding , product of physical lenght in the 3 dimensions
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plan_stress = fftw_plan_many_dft_r2c(3,[ res(3),res(2) ,res(1)],9,& ! dimensions , length in each dimension in reversed order
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tensorField_real,[ res(3),res(2) ,res(1)+2_pInt],& ! input data , physical length in each dimension in reversed order
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1, res(3)*res(2)*(res(1)+2_pInt),& ! striding , product of physical lenght in the 3 dimensions
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tensorField_fourier,[ res(3),res(2) ,res1_red],&
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1, res(3)*res(2)* res1_red,fftw_planner_flag)
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@ -556,18 +564,6 @@ program DAMASK_spectral
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!--------------------------------------------------------------------------------------------------
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! depending on (debug) options, allocate more memory and create additional plans
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if (.not. simplified_algorithm) then
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print*, 'using polarization field based algorithm'
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tau = fftw_alloc_complex(int(res1_red*res(2)*res(3)*9_pInt,C_SIZE_T))
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call c_f_pointer(tau, tau_real, [ res(1)+2_pInt,res(2),res(3),3,3])
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call c_f_pointer(tau, tau_fourier, [ res1_red, res(2),res(3),3,3])
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plan_tau = fftw_plan_many_dft_r2c(3,[ res(3),res(2) ,res(1)],9,&
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tau_real,[ res(3),res(2) ,res(1)+2_pInt],&
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1, res(3)*res(2)*(res(1)+2_pInt),&
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tau_fourier,[ res(3),res(2) ,res1_red],&
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1, res(3)*res(2)* res1_red,fftw_planner_flag)
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endif
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if (debugDivergence) then
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divergence = fftw_alloc_complex(int(res1_red*res(2)*res(3)*3_pInt,C_SIZE_T))
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call c_f_pointer(divergence, divergence_real, [ res(1)+2_pInt,res(2),res(3),3])
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@ -593,10 +589,6 @@ program DAMASK_spectral
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if (debugGeneral) print '(a)' , 'FFTW initialized'
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!--------------------------------------------------------------------------------------------------
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! do not correct divergence criterion (usefull to kill dimension and resolution dependenc)
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correctionFactor = 1.0_pReal
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!--------------------------------------------------------------------------------------------------
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! write header of output file
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open(538,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())&
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@ -608,13 +600,13 @@ program DAMASK_spectral
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write(538) 'dimension', geomdim
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write(538) 'materialpoint_sizeResults', materialpoint_sizeResults
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write(538) 'loadcases', N_Loadcases
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write(538) 'frequencies', bc(1:N_Loadcases)%outputfrequency ! one entry per loadcase
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write(538) 'times', bc(1:N_Loadcases)%time ! one entry per loadcase
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write(538) 'frequencies', bc(1:N_Loadcases)%outputfrequency ! one entry per loadcase
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write(538) 'times', bc(1:N_Loadcases)%time ! one entry per loadcase
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write(538) 'logscales', bc(1:N_Loadcases)%logscale
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write(538) 'increments', bc(1:N_Loadcases)%incs ! one entry per loadcase
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write(538) 'startingIncrement', restartInc - 1_pInt ! start with writing out the previous inc
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write(538) 'eoh' ! end of header
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write(538) materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:Npoints) ! initial (non-deformed or read-in) results
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write(538) 'increments', bc(1:N_Loadcases)%incs ! one entry per loadcase
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write(538) 'startingIncrement', restartInc - 1_pInt ! start with writing out the previous inc
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write(538) 'eoh' ! end of header
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write(538) materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:Npoints) ! initial (non-deformed or read-in) results
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if (debugGeneral) print '(a)' , 'Header of result file written out'
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!##################################################################################################
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@ -634,10 +626,9 @@ program DAMASK_spectral
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! arrays for mixed boundary conditions
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mask_defgrad = merge(ones,zeroes,bc(loadcase)%maskDeformation)
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mask_stress = merge(ones,zeroes,bc(loadcase)%maskStress)
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size_reduced = count(bc(loadcase)%maskStressVector)
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allocate (c_reduced(size_reduced,size_reduced)); c_reduced = 0.0_pReal
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allocate (s_reduced(size_reduced,size_reduced)); s_reduced = 0.0_pReal
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size_reduced = int(count(bc(loadcase)%maskStressVector), pInt)
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allocate (c_reduced(size_reduced,size_reduced), source =0.0_pReal)
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allocate (s_reduced(size_reduced,size_reduced), source =0.0_pReal)
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!##################################################################################################
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! loop oper incs defined in input file for current loadcase
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@ -692,11 +683,11 @@ program DAMASK_spectral
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+ (1.0_pReal-guessmode) * deltaF ! if not guessing, use prescribed average deformation where applicable
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defgradold(i,j,k,1:3,1:3) = temp33_Real
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enddo; enddo; enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate reduced compliance
|
||||
c_prev = math_rotate_forward3333(c_current*wgt,bc(loadcase)%rotation) ! calculate stiffness from former inc
|
||||
|
||||
if(size_reduced > 0_pInt) then ! calculate compliance in case stress BC is applied
|
||||
c_prev = math_rotate_forward3333(c_current*wgt,bc(loadcase)%rotation) ! calculate stiffness from former inc
|
||||
c_prev99 = math_Plain3333to99(c_prev)
|
||||
k = 0_pInt ! build reduced stiffness
|
||||
do n = 1_pInt,9_pInt
|
||||
|
|
@ -737,9 +728,8 @@ program DAMASK_spectral
|
|||
!##################################################################################################
|
||||
! convergence loop (looping over iterations)
|
||||
!##################################################################################################
|
||||
do while(iter < itmax .and. &
|
||||
(err_div > err_div_tol .or. &
|
||||
err_stress > err_stress_tol))
|
||||
do while((iter < itmax .and. (err_div > err_div_tol .or. err_stress > err_stress_tol))&
|
||||
.or. iter < itmin)
|
||||
iter = iter + 1_pInt
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -748,23 +738,20 @@ program DAMASK_spectral
|
|||
print '(a)', '=================================================================='
|
||||
print '(5(a,i6.6))', 'Loadcase ',loadcase,' Increment ',inc,'/',bc(loadcase)%incs,&
|
||||
' @ Iteration ',iter,'/',itmax
|
||||
do n = 1_pInt,3_pInt; do m = 1_pInt,3_pInt
|
||||
defgrad_av_lab(m,n) = sum(defgrad(1:res(1),1:res(2),1:res(3),m,n)) * wgt
|
||||
enddo; enddo
|
||||
write (*,'(a,/,3(3(f12.7,1x)/))',advance='no') 'deformation gradient:',&
|
||||
math_transpose33(math_rotate_forward33(defgrad_av_lab,bc(loadcase)%rotation))
|
||||
write (*,'(a,/,3(3(f12.7,1x)/))',advance='no') 'deformation gradient aim =',&
|
||||
math_transpose33(defgradAim)
|
||||
print '(a)', ''
|
||||
print '(a)', '... update stress field P(F) .....................................'
|
||||
|
||||
defgradAim_lab_old = math_rotate_backward33(defgradAim,bc(loadcase)%rotation)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! evaluate constitutive response
|
||||
call deformed_fft(res,geomdim,defgrad_av_lab,1.0_pReal,defgrad,coordinates) ! calculate current coordinates
|
||||
call deformed_fft(res,geomdim,defgradAim_lab_old,1.0_pReal,defgrad,coordinates) ! calculate current coordinates
|
||||
ielem = 0_pInt
|
||||
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
|
||||
ielem = ielem + 1_pInt
|
||||
call CPFEM_general(3_pInt,& ! collect cycle
|
||||
coordinates(i,j,k,1:3), defgradold(i,j,k,1:3,1:3), defgrad(i,j,k,1:3,1:3),&
|
||||
temperature(i,j,k),timeinc,ielem,1_pInt,&
|
||||
coordinates(i,j,k,1:3), defgradold(i,j,k,1:3,1:3),&
|
||||
defgrad(i,j,k,1:3,1:3),temperature(i,j,k),timeinc,ielem,1_pInt,&
|
||||
cstress,dsde, pstress, dPdF)
|
||||
enddo; enddo; enddo
|
||||
|
||||
|
|
@ -792,18 +779,6 @@ program DAMASK_spectral
|
|||
cmplx(tensorField_real(1:res(1),1:res(2),1:res(3),row,column),0.0_pReal,pReal)
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! build polarization field
|
||||
if (.not. simplified_algorithm) then
|
||||
tau_real = 0.0_pReal ! padding
|
||||
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
|
||||
tau_real(i,j,k,1:3,1:3)&
|
||||
= tensorField_real(i,j,k,1:3,1:3) &
|
||||
- math_mul3333xx33(c0_reference,defgrad(i,j,k,1:3,1:3))
|
||||
enddo; enddo; enddo
|
||||
call fftw_execute_dft_r2c(plan_tau,tau_real,tau_fourier)
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! call function to calculate divergence from math (for post processing) to check results
|
||||
if (debugDivergence) &
|
||||
|
|
@ -816,7 +791,7 @@ program DAMASK_spectral
|
|||
|
||||
pstress_av_lab = real(tensorField_fourier(1,1,1,1:3,1:3),pReal)*wgt
|
||||
pstress_av = math_rotate_forward33(pstress_av_lab,bc(loadcase)%rotation)
|
||||
write (*,'(a,/,3(3(f12.7,1x)/))',advance='no') 'Piola-Kirchhoff stress / MPa:',&
|
||||
write (*,'(a,/,3(3(f12.7,1x)/))',advance='no') 'Piola-Kirchhoff stress / MPa =',&
|
||||
math_transpose33(pstress_av)/1.e6_pReal
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -824,7 +799,7 @@ program DAMASK_spectral
|
|||
if (debugFFTW) then
|
||||
call fftw_execute_dft(plan_scalarField_forth,scalarField_real,scalarField_fourier)
|
||||
print '(a,i1,1x,i1)', 'checking FT results of compontent ', row, column
|
||||
print '(a,2(es11.4,1x))', 'max FT relative error ',&
|
||||
print '(a,2(es11.4,1x))', 'max FT relative error = ',&
|
||||
maxval( real((scalarField_fourier(1:res1_red,1:res(2),1:res(3))-&
|
||||
tensorField_fourier(1:res1_red,1:res(2),1:res(3),row,column))/&
|
||||
scalarField_fourier(1:res1_red,1:res(2),1:res(3)))), &
|
||||
|
|
@ -853,9 +828,7 @@ program DAMASK_spectral
|
|||
print '(a,f6.2,a,es11.4,a)', 'error stress = ', err_stress/err_stress_tol, &
|
||||
' (',err_stress,' Pa)'
|
||||
defgradAim = defgradAim - math_mul3333xx33(s_prev, ((pstress_av - bc(loadcase)%stress))) ! residual on given stress components
|
||||
if(debugGeneral) write (*,'(a,/,3(3(f12.7,1x)/))',advance='no') 'new deformation aim:',&
|
||||
math_transpose33(defgradAim)
|
||||
print '(a,1x,es11.4)' , 'determinant of new deformation: ', math_det33(defgradAim)
|
||||
print '(a,1x,es11.4)' ,'determinant of new deformation = ',math_det33(defgradAim)
|
||||
else
|
||||
err_stress_tol = +huge(1.0_pReal)
|
||||
endif
|
||||
|
|
@ -869,7 +842,7 @@ program DAMASK_spectral
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculating RMS divergence criterion in Fourier space
|
||||
pstress_av_L2 = sqrt(maxval (math_eigenvalues33(math_mul33x33(pstress_av_lab,& ! L_2 norm of average stress
|
||||
pstress_av_L2 = sqrt(maxval (math_eigenvalues33(math_mul33x33(pstress_av_lab,& ! L_2 norm of average stress
|
||||
math_transpose33(pstress_av_lab)))))
|
||||
err_div_RMS = 0.0_pReal
|
||||
do k = 1_pInt, res(3); do j = 1_pInt, res(2)
|
||||
|
|
@ -891,13 +864,13 @@ program DAMASK_spectral
|
|||
xi(1:3,res1_red,j,k))*two_pi_img)**2.0_pReal)
|
||||
enddo; enddo
|
||||
err_div_RMS = sqrt(err_div_RMS)*wgt ! RMS in real space calculated with Parsevals theorem from Fourier space
|
||||
if(err_div_RMS/pstress_av_L2*sqrt(wgt) * correctionFactor>err_div&
|
||||
if(err_div_RMS/pstress_av_L2*sqrt(wgt) >err_div&
|
||||
.and.iter >2_pInt&
|
||||
.and.err_stress < err_stress_tol) then
|
||||
print*, 'Increasing divergence, stopping iterations'
|
||||
iter = itmax
|
||||
endif
|
||||
err_div = err_div_RMS/pstress_av_L2*sqrt(wgt) * correctionFactor ! criterion to stop iterations
|
||||
err_div = err_div_RMS/pstress_av_L2*sqrt(wgt) ! criterion to stop iterations
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate additional divergence criteria and report
|
||||
|
|
@ -918,10 +891,10 @@ program DAMASK_spectral
|
|||
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
|
||||
max_div_error= max(max_div_error,maxval((divergence_real(i,j,k,1:3)&
|
||||
-divergence_postProc(i,j,k,1:3))/divergence_real(i,j,k,1:3)))
|
||||
err_real_div_RMS = err_real_div_RMS + sum(divergence_real(i,j,k,1:3)**2.0_pReal) ! avg of L_2 norm of div(stress) in real space
|
||||
err_real_div_max = max(err_real_div_max, sqrt(sum(divergence_real(i,j,k,1:3)**2.0_pReal))) ! maximum of L two norm of div(stress) in real space
|
||||
err_real_div_RMS=err_real_div_RMS + sum(divergence_real(i,j,k,1:3)**2.0_pReal) ! avg of L_2 norm of div(stress) in real space
|
||||
err_real_div_max=max(err_real_div_max,sqrt(sum(divergence_real(i,j,k,1:3)**2.0_pReal)))! maximum of L two norm of div(stress) in real space
|
||||
enddo; enddo; enddo
|
||||
err_real_div_RMS = sqrt(wgt*err_real_div_RMS) ! RMS in real space
|
||||
err_real_div_RMS = sqrt(wgt*err_real_div_RMS) ! RMS in real space
|
||||
err_div_max = err_div_max*sqrt(wgt)
|
||||
|
||||
print '(a,es11.4)', 'error divergence FT RMS = ',err_div_RMS
|
||||
|
|
@ -930,12 +903,9 @@ program DAMASK_spectral
|
|||
print '(a,es11.4)', 'error divergence Real max = ',err_real_div_max
|
||||
print '(a,es11.4)', 'max deviat. from postProc = ',max_div_error
|
||||
endif
|
||||
print '(a,f6.2,a,es11.4,3a)','error divergence = ', err_div/err_div_tol, &
|
||||
' (',err_div_RMS,' N/m',char(179),')'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! divergence is calculated from FT(stress), depending on algorithm use field for spectral method
|
||||
if (.not. simplified_algorithm) tensorField_fourier = tau_fourier
|
||||
print '(a,f6.2,a,es11.4,a)','error divergence = ', err_div/err_div_tol,&
|
||||
' (',err_div_RMS,' N/m³)'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! to the actual spectral method calculation (mechanical equilibrium)
|
||||
if(memory_efficient) then ! memory saving version, on-the-fly calculation of gamma_hat
|
||||
|
|
@ -973,13 +943,8 @@ program DAMASK_spectral
|
|||
|
||||
endif
|
||||
|
||||
if (simplified_algorithm) then ! do not use the polarization field based algorithm
|
||||
tensorField_fourier(1,1,1,1:3,1:3) = cmplx((defgrad_av_lab - defgradAim_lab) & ! assign (negative) average deformation gradient change to zero frequency (real part)
|
||||
tensorField_fourier(1,1,1,1:3,1:3) = cmplx((defgradAim_lab_old - defgradAim_lab) & ! assign (negative) average deformation gradient change to zero frequency (real part)
|
||||
* real(Npoints,pReal),0.0_pReal,pReal) ! singular point at xi=(0.0,0.0,0.0) i.e. i=j=k=1
|
||||
else
|
||||
tensorField_fourier(1,1,1,1:3,1:3) = cmplx(defgradAim_lab*real(Npoints,pReal),& ! assign deformation aim to zero frequency (real part)
|
||||
0.0_pReal,pReal)
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! comparing 1 and 3x3 inverse FT results
|
||||
|
|
@ -1009,7 +974,7 @@ program DAMASK_spectral
|
|||
if (debugFFTW) then
|
||||
print '(a,i1,1x,i1)', 'checking iFT results of compontent ', row, column
|
||||
call fftw_execute_dft(plan_scalarField_back,scalarField_fourier,scalarField_real)
|
||||
print '(a,es11.4)', 'max iFT relative error ',&
|
||||
print '(a,es11.4)', 'max iFT relative error = ',&
|
||||
maxval((real(scalarField_real(1:res(1),1:res(2),1:res(3)))-&
|
||||
tensorField_real(1:res(1),1:res(2),1:res(3),row,column))/&
|
||||
real(scalarField_real(1:res(1),1:res(2),1:res(3))))
|
||||
|
|
@ -1028,11 +993,11 @@ program DAMASK_spectral
|
|||
maxval(math_skew33(tensorField_real(i,j,k,1:3,1:3))))
|
||||
temp33_Real = temp33_Real + tensorField_real(i,j,k,1:3,1:3)
|
||||
enddo; enddo; enddo
|
||||
print '(a,1x,es11.4)' , 'max symmetrix correction of deformation:',&
|
||||
print '(a,1x,es11.4)' , 'max symmetrix correction of deformation =',&
|
||||
maxCorrectionSym*wgt
|
||||
print '(a,1x,es11.4)' , 'max skew correction of deformation:',&
|
||||
print '(a,1x,es11.4)' , 'max skew correction of deformation =',&
|
||||
maxCorrectionSkew*wgt
|
||||
print '(a,1x,es11.4)' , 'max sym/skew of avg correction: ',&
|
||||
print '(a,1x,es11.4)' , 'max sym/skew of avg correction = ',&
|
||||
maxval(math_symmetric33(temp33_real))/&
|
||||
maxval(math_skew33(temp33_real))
|
||||
endif
|
||||
|
|
@ -1041,12 +1006,6 @@ program DAMASK_spectral
|
|||
! updated deformation gradient
|
||||
defgrad = defgrad - tensorField_real(1:res(1),1:res(2),1:res(3),1:3,1:3)*wgt ! F(x)^(n+1) = F(x)^(n) + correction; *wgt: correcting for missing normalization
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! updated deformation gradient in case of fluctuation field algorithm
|
||||
if (.not.simplified_algorithm) then
|
||||
defgrad = tensorField_real(1:res(1),1:res(2),1:res(3),1:3,1:3) * wgt
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate bounds of det(F) and report
|
||||
if(debugGeneral) then
|
||||
|
|
@ -1058,8 +1017,8 @@ program DAMASK_spectral
|
|||
defgradDetMin = min(defgradDetMin,defgradDet)
|
||||
enddo; enddo; enddo
|
||||
|
||||
print '(a,1x,es11.4)' , 'max determinant of deformation:', defgradDetMax
|
||||
print '(a,1x,es11.4)' , 'min determinant of deformation:', defgradDetMin
|
||||
print '(a,1x,es11.4)' , 'max determinant of deformation =', defgradDetMax
|
||||
print '(a,1x,es11.4)' , 'min determinant of deformation =', defgradDetMin
|
||||
endif
|
||||
|
||||
enddo ! end looping when convergency is achieved
|
||||
|
|
@ -1074,17 +1033,17 @@ program DAMASK_spectral
|
|||
print '(A,I5.5,A)', 'increment ', totalIncsCounter, ' converged'
|
||||
endif
|
||||
|
||||
if (mod(totalIncsCounter -1_pInt,bc(loadcase)%outputfrequency) == 0_pInt) then ! at output frequency
|
||||
if (mod(inc,bc(loadcase)%outputFrequency) == 0_pInt) then ! at output frequency
|
||||
print '(a)', ''
|
||||
print '(a)', '... writing results to file ......................................'
|
||||
write(538) materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:Npoints) ! write result to file
|
||||
write(538) materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:Npoints) ! write result to file
|
||||
endif
|
||||
|
||||
if( bc(loadcase)%restartFrequency > 0_pInt .and. &
|
||||
mod(inc - 1_pInt,bc(loadcase)%restartFrequency) == 0_pInt) then ! at frequency of writing restart information set restart parameter for FEsolving (first call to CPFEM_general will write ToDo: true?)
|
||||
mod(inc,bc(loadcase)%restartFrequency) == 0_pInt) then ! at frequency of writing restart information set restart parameter for FEsolving (first call to CPFEM_general will write ToDo: true?)
|
||||
restartWrite = .true.
|
||||
print '(A)', 'writing converged results for restart'
|
||||
call IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(defgrad)) ! writing deformation gradient field to file
|
||||
call IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(defgrad)) ! writing deformation gradient field to file
|
||||
write (777,rec=1) defgrad
|
||||
close (777)
|
||||
restartInc=totalIncsCounter
|
||||
|
|
@ -1118,7 +1077,7 @@ program DAMASK_spectral
|
|||
call fftw_destroy_plan(plan_scalarField_forth)
|
||||
call fftw_destroy_plan(plan_scalarField_back)
|
||||
endif
|
||||
stop 0
|
||||
call quit(0_pInt)
|
||||
end program DAMASK_spectral
|
||||
|
||||
!********************************************************************
|
||||
|
|
@ -1126,12 +1085,15 @@ end program DAMASK_spectral
|
|||
!
|
||||
!********************************************************************
|
||||
subroutine quit(stop_id)
|
||||
use prec
|
||||
use prec, only: pInt
|
||||
implicit none
|
||||
|
||||
integer(pInt), intent(in) :: stop_id
|
||||
print*, stop_id
|
||||
|
||||
|
||||
if (stop_id == 0_pInt) stop 0 ! normal termination
|
||||
if (stop_id <= 9000_pInt) then ! trigger regridding
|
||||
print*, stop_id
|
||||
stop 1
|
||||
endif
|
||||
stop 'abnormal termination of DAMASK_spectral'
|
||||
|
||||
end subroutine
|
||||
|
|
|
|||
|
|
@ -167,9 +167,7 @@ use lattice, only: lattice_maxNslipFamily, &
|
|||
lattice_maxNslip, &
|
||||
lattice_maxNinteraction, &
|
||||
lattice_NslipSystem, &
|
||||
lattice_NtwinSystem, &
|
||||
lattice_initializeStructure, &
|
||||
lattice_Qtwin, &
|
||||
lattice_sd, &
|
||||
lattice_sn, &
|
||||
lattice_st, &
|
||||
|
|
@ -1191,7 +1189,8 @@ state(g,ip,el)%p(12_pInt*ns+1:13_pInt*ns) = tauBack
|
|||
|
||||
|
||||
#ifndef _OPENMP
|
||||
if (debug_verbosity > 6_pInt .and. ((debug_e == el .and. debug_i == ip .and. debug_g == g) .or. .not. debug_selectiveDebugger)) then
|
||||
if (debug_verbosity > 6_pInt .and. ((debug_e == el .and. debug_i == ip .and. debug_g == g)&
|
||||
.or. .not. debug_selectiveDebugger)) then
|
||||
write(6,*)
|
||||
write(6,'(a,i8,1x,i2,1x,i1)') '<< CONST >> nonlocal_microstructure at el ip g',el,ip,g
|
||||
write(6,*)
|
||||
|
|
@ -1218,13 +1217,8 @@ use debug, only: debug_verbosity, &
|
|||
debug_g, &
|
||||
debug_i, &
|
||||
debug_e
|
||||
use mesh, only: mesh_NcpElems, &
|
||||
mesh_maxNips
|
||||
use material, only: homogenization_maxNgrains, &
|
||||
material_phase, &
|
||||
use material, only: material_phase, &
|
||||
phase_constitutionInstance
|
||||
use lattice, only: lattice_Sslip, &
|
||||
lattice_Sslip_v
|
||||
|
||||
implicit none
|
||||
|
||||
|
|
@ -1383,8 +1377,6 @@ use debug, only: debug_verbosity, &
|
|||
debug_g, &
|
||||
debug_i, &
|
||||
debug_e
|
||||
use mesh, only: mesh_NcpElems, &
|
||||
mesh_maxNips
|
||||
use material, only: homogenization_maxNgrains, &
|
||||
material_phase, &
|
||||
phase_constitutionInstance
|
||||
|
|
@ -1499,7 +1491,8 @@ dLp_dTstar99 = math_Plain3333to99(dLp_dTstar3333)
|
|||
|
||||
|
||||
#ifndef _OPENMP
|
||||
if (debug_verbosity > 6_pInt .and. ((debug_e == el .and. debug_i == ip .and. debug_g == g) .or. .not. debug_selectiveDebugger)) then
|
||||
if (debug_verbosity > 6_pInt .and. ((debug_e == el .and. debug_i == ip .and. debug_g == g)&
|
||||
.or. .not. debug_selectiveDebugger)) then
|
||||
write(6,*)
|
||||
write(6,'(a,i8,1x,i2,1x,i1)') '<< CONST >> nonlocal_LpandItsTangent at el ip g ',el,ip,g
|
||||
write(6,*)
|
||||
|
|
@ -1539,28 +1532,20 @@ use math, only: math_norm3, &
|
|||
pi
|
||||
use mesh, only: mesh_NcpElems, &
|
||||
mesh_maxNips, &
|
||||
mesh_maxNipNeighbors, &
|
||||
mesh_element, &
|
||||
FE_NipNeighbors, &
|
||||
mesh_ipNeighborhood, &
|
||||
mesh_ipVolume, &
|
||||
mesh_ipArea, &
|
||||
mesh_ipAreaNormal, &
|
||||
mesh_ipCenterOfGravity
|
||||
mesh_ipAreaNormal
|
||||
use material, only: homogenization_maxNgrains, &
|
||||
material_phase, &
|
||||
phase_constitutionInstance, &
|
||||
phase_localConstitution, &
|
||||
phase_constitution
|
||||
use lattice, only: lattice_Sslip, &
|
||||
lattice_Sslip_v, &
|
||||
use lattice, only: lattice_Sslip_v, &
|
||||
lattice_sd, &
|
||||
lattice_sn, &
|
||||
lattice_st, &
|
||||
lattice_NslipSystem
|
||||
use FEsolving, only:theInc, &
|
||||
FEsolving_execElem, &
|
||||
FEsolving_execIP
|
||||
lattice_st
|
||||
|
||||
implicit none
|
||||
|
||||
|
|
@ -1995,7 +1980,8 @@ endif
|
|||
|
||||
|
||||
#ifndef _OPENMP
|
||||
if (debug_verbosity > 6_pInt .and. ((debug_e == el .and. debug_i == ip .and. debug_g == g) .or. .not. debug_selectiveDebugger)) then
|
||||
if (debug_verbosity > 6_pInt .and. ((debug_e == el .and. debug_i == ip .and. debug_g == g)&
|
||||
.or. .not. debug_selectiveDebugger)) then
|
||||
write(6,'(a,/,8(12x,12(e12.5,1x),/))') '<< CONST >> dislocation remobilization', rhoDotRemobilization(1:ns,1:8) * timestep
|
||||
write(6,'(a,/,4(12x,12(e12.5,1x),/))') '<< CONST >> dislocation multiplication', rhoDotMultiplication(1:ns,1:4) * timestep
|
||||
write(6,'(a,/,8(12x,12(e12.5,1x),/))') '<< CONST >> dislocation flux', rhoDotFlux(1:ns,1:8) * timestep
|
||||
|
|
@ -2032,7 +2018,6 @@ use math, only: math_QuaternionDisorientation, &
|
|||
math_mul3x3, &
|
||||
math_qRot
|
||||
use material, only: material_phase, &
|
||||
phase_constitution, &
|
||||
phase_localConstitution, &
|
||||
phase_constitutionInstance, &
|
||||
homogenization_maxNgrains
|
||||
|
|
@ -2042,8 +2027,7 @@ use mesh, only: mesh_element, &
|
|||
mesh_maxNips, &
|
||||
mesh_NcpElems
|
||||
use lattice, only: lattice_sn, &
|
||||
lattice_sd, &
|
||||
lattice_st
|
||||
lattice_sd
|
||||
|
||||
implicit none
|
||||
|
||||
|
|
@ -2291,7 +2275,6 @@ real(pReal), dimension(3) :: connection, & ! connection vecto
|
|||
neighboring_ipCoords
|
||||
real(pReal), dimension(3,3) :: sigma, & ! dislocation stress for one slip system in neighboring material point's slip system frame
|
||||
Tdislo_neighboringLattice, & ! dislocation stress as 2nd Piola-Kirchhoff stress at neighboring material point
|
||||
Tdislo, & ! dislocation stress as 2nd Piola-Kirchhoff stress at my material point
|
||||
invFe, & ! inverse of my elastic deformation gradient
|
||||
neighboring_invFe, &
|
||||
neighboringLattice2myLattice ! mapping from neighboring MPs lattice configuration to my lattice configuration
|
||||
|
|
@ -2301,9 +2284,6 @@ real(pReal), dimension(2,maxval(constitutive_nonlocal_totalNslip)) :: &
|
|||
rhoExcessDead
|
||||
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),8) :: &
|
||||
rhoSgl ! single dislocation density (edge+, edge-, screw+, screw-, used edge+, used edge-, used screw+, used screw-)
|
||||
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el)))) :: &
|
||||
rhoForest, & ! forest dislocation density
|
||||
tauThreshold ! threshold shear stress
|
||||
logical inversionError
|
||||
|
||||
phase = material_phase(g,ip,el)
|
||||
|
|
@ -2582,14 +2562,12 @@ use math, only: math_mul6x6, &
|
|||
math_mul33x33, &
|
||||
pi
|
||||
use mesh, only: mesh_NcpElems, &
|
||||
mesh_maxNips, &
|
||||
mesh_element
|
||||
mesh_maxNips
|
||||
use material, only: homogenization_maxNgrains, &
|
||||
material_phase, &
|
||||
phase_constitutionInstance, &
|
||||
phase_Noutput
|
||||
use lattice, only: lattice_Sslip, &
|
||||
lattice_Sslip_v, &
|
||||
use lattice, only: lattice_Sslip_v, &
|
||||
lattice_sd, &
|
||||
lattice_st
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue