DEBUGGING VERSION for calculation of Divergence (various methods implemented). DO NOT USE. Wait for next update coming in a few minutes
This commit is contained in:
Martin Diehl
parent
bb1ca2330b
commit
34de2e301b
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@ -93,12 +93,17 @@ program DAMASK_spectral
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pstress, pstress_av, cstress_av, defgrad_av,&
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pstress, pstress_av, cstress_av, defgrad_av,&
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defgradAim, defgradAimOld, defgradAimCorr, defgradAimCorrPrev,&
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defgradAim, defgradAimOld, defgradAimCorr, defgradAimCorrPrev,&
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mask_stress, mask_defgrad, deltaF
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mask_stress, mask_defgrad, deltaF
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real(pReal), dimension(3,3,3,3) :: dPdF, c0, s0 !, c0_temp ! ToDo
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real(pReal), dimension(3,3,3,3) :: dPdF, c_current, s_current, c0_reference ! ToDo
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real(pReal), dimension(6) :: cstress ! cauchy stress in Mandel notation
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real(pReal), dimension(6) :: cstress, stress_res, delta_defgrad ! cauchy stress, residuum_stress, change of defgrad in Mandel notation
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real(pReal), dimension(6,6) :: dsde, c066, s066 ! Mandel notation of 4th order tensors
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real(pReal), dimension(6,6) :: dsde, c_current66, s_current66 ! Mandel notation of 4th order tensors
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real(pReal), dimension(9,9) :: s_current99, c_current99
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real(pReal), dimension(:,:,:,:,:), allocatable :: workfft, defgrad, defgradold
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real(pReal), dimension(:,:,:,:,:), allocatable :: workfft, defgrad, defgradold
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real(pReal), dimension(:,:,:,:), allocatable :: coordinates
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real(pReal), dimension(:,:,:,:), allocatable :: coordinates
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real(pReal), dimension(:,:,:), allocatable :: temperature
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real(pReal), dimension(:,:,:), allocatable :: temperature
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real(pReal), dimension(:,:), allocatable :: s_reduced, c_reduced
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logical, dimension(6) :: mask_stress6
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logical, dimension(9) :: mask_stress9
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integer(pInt) size_reduced
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! variables storing information for spectral method
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! variables storing information for spectral method
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complex(pReal) :: img
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complex(pReal) :: img
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@ -121,6 +126,8 @@ program DAMASK_spectral
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integer*8 plan_div(3)
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integer*8 plan_div(3)
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real(pReal), dimension(:,:,:,:), allocatable :: divergence
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real(pReal), dimension(:,:,:,:), allocatable :: divergence
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complex(pReal), dimension(:,:,:,:), allocatable :: divergence_hat
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complex(pReal), dimension(:,:,:,:), allocatable :: divergence_hat
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complex(pReal), dimension(:,:,:,:), allocatable :: divergence_hat_full
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complex(pReal), dimension(:,:,:,:), allocatable :: divergence_hat_full2
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complex(pReal), dimension(:,:,:,:,:), allocatable :: pstress_field_hat, pstress_field
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complex(pReal), dimension(:,:,:,:,:), allocatable :: pstress_field_hat, pstress_field
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real(pReal) ev1, ev2, ev3
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real(pReal) ev1, ev2, ev3
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real(pReal), dimension(3,3) :: evb1, evb2, evb3
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real(pReal), dimension(3,3) :: evb1, evb2, evb3
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@ -128,6 +135,7 @@ program DAMASK_spectral
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err_div_avg_inf, err_div_avg_two, err_div_max_inf, err_div_max_two, &
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err_div_avg_inf, err_div_avg_two, err_div_max_inf, err_div_max_two, &
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err_div_avg_inf2, err_div_avg_two2, err_div_max_two2, err_div_max_inf2, &
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err_div_avg_inf2, err_div_avg_two2, err_div_max_two2, err_div_max_inf2, &
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err_real_div_avg_inf, err_real_div_avg_two, err_real_div_max_inf, err_real_div_max_two, &
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err_real_div_avg_inf, err_real_div_avg_two, err_real_div_max_inf, err_real_div_max_two, &
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err_real_div_avg_inf2, err_real_div_avg_two2, err_real_div_max_inf2, err_real_div_max_two2, &
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rho
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rho
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!!!!!!!!!!!!!!!!!!!!!!!! end divergence debugging
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!!!!!!!!!!!!!!!!!!!!!!!! end divergence debugging
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@ -267,7 +275,7 @@ program DAMASK_spectral
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print '(a,i5)', 'Loadcase:', loadcase
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print '(a,i5)', 'Loadcase:', loadcase
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if (.not. followFormerTrajectory(loadcase)) &
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if (.not. followFormerTrajectory(loadcase)) &
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print '(a)', 'drop guessing along trajectory'
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print '(a)', 'drop guessing along trajectory'
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if (any(bc_mask(:,:,1,loadcase) .and. bc_mask(:,:,2,loadcase)))& ! check whther stress and strain is prescribed simultaneously
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if (any(bc_mask(:,:,1,loadcase) .eqv. bc_mask(:,:,2,loadcase)))& ! exclusive or masking only
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call IO_error(31,loadcase)
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call IO_error(31,loadcase)
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if (velGradApplied(loadcase)) then
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if (velGradApplied(loadcase)) then
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do j = 1, 3
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do j = 1, 3
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@ -354,6 +362,8 @@ program DAMASK_spectral
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allocate (xi (3,resolution(1),resolution(2),resolution(3))); xi = 0.0_pReal
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allocate (xi (3,resolution(1),resolution(2),resolution(3))); xi = 0.0_pReal
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allocate (divergence (resolution(1) ,resolution(2),resolution(3),3)); divergence = 0.0_pReal
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allocate (divergence (resolution(1) ,resolution(2),resolution(3),3)); divergence = 0.0_pReal
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allocate (divergence_hat (resolution(1)/2+1,resolution(2),resolution(3),3)); divergence_hat = 0.0_pReal
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allocate (divergence_hat (resolution(1)/2+1,resolution(2),resolution(3),3)); divergence_hat = 0.0_pReal
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allocate (divergence_hat_full(resolution(1),resolution(2),resolution(3),3)); divergence_hat_full = 0.0_pReal
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allocate (divergence_hat_full2(resolution(1),resolution(2),resolution(3),3)); divergence_hat_full2 = 0.0_pReal
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allocate (pstress_field_hat(resolution(1),resolution(2),resolution(3),3,3)); pstress_field_hat = 0.0_pReal
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allocate (pstress_field_hat(resolution(1),resolution(2),resolution(3),3,3)); pstress_field_hat = 0.0_pReal
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allocate (pstress_field (resolution(1),resolution(2),resolution(3),3,3)); pstress_field = 0.0_pReal
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allocate (pstress_field (resolution(1),resolution(2),resolution(3),3,3)); pstress_field = 0.0_pReal
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!!!!!!!!!!!!!!!!!!!!!!!! end divergence debugging
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!!!!!!!!!!!!!!!!!!!!!!!! end divergence debugging
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@ -366,20 +376,16 @@ program DAMASK_spectral
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! Initialization of CPFEM_general (= constitutive law) and of deformation gradient field
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! Initialization of CPFEM_general (= constitutive law) and of deformation gradient field
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call CPFEM_initAll(bc_temperature(1),1_pInt,1_pInt)
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call CPFEM_initAll(bc_temperature(1),1_pInt,1_pInt)
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ielem = 0_pInt
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ielem = 0_pInt
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c066 = 0.0_pReal
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c_current = 0.0_pReal
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do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
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do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
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defgradold(i,j,k,:,:) = math_I3 ! no deformation at the beginning
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defgradold(i,j,k,:,:) = math_I3 ! no deformation at the beginning
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defgrad(i,j,k,:,:) = math_I3
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defgrad(i,j,k,:,:) = math_I3
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ielem = ielem +1
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ielem = ielem +1
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coordinates(1:3,i,j,k) = mesh_ipCenterOfGravity(1:3,1,ielem) ! set to initial coordinates ToDo: SHOULD BE UPDATED TO CURRENT POSITION IN FUTURE REVISIONS!!!
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coordinates(1:3,i,j,k) = mesh_ipCenterOfGravity(1:3,1,ielem) ! set to initial coordinates ToDo: SHOULD BE UPDATED TO CURRENT POSITION IN FUTURE REVISIONS!!!
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call CPFEM_general(2,coordinates(1:3,i,j,k),math_I3,math_I3,temperature(i,j,k),0.0_pReal,ielem,1_pInt,cstress,dsde,pstress,dPdF)
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call CPFEM_general(2,coordinates(1:3,i,j,k),math_I3,math_I3,temperature(i,j,k),0.0_pReal,ielem,1_pInt,cstress,dsde,pstress,dPdF)
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c066 = c066 + dsde
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c_current = c_current + dPdF
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enddo; enddo; enddo
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enddo; enddo; enddo
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c066 = c066 * wgt
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c0_reference = c_current * wgt ! linear reference material stiffness
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c0 = math_mandel66to3333(c066) ! linear reference material stiffness
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call math_invert(6, math_Mandel66toPlain66(c066), s066,i, errmatinv) ! ToDo
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if(errmatinv) call IO_error(800) ! Matrix inversion error ToDo
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s0 = math_mandel66to3333(math_Plain66toMandel66(s066)) ! ToDo
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do k = 1, resolution(3) ! calculation of discrete angular frequencies, ordered as in FFTW (wrap around)
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do k = 1, resolution(3) ! calculation of discrete angular frequencies, ordered as in FFTW (wrap around)
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k_s(3) = k-1
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k_s(3) = k-1
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@ -409,7 +415,7 @@ program DAMASK_spectral
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do l = 1,3; do m = 1,3
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do l = 1,3; do m = 1,3
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xiDyad(l,m) = xi(l,i,j,k)*xi(m,i,j,k)
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xiDyad(l,m) = xi(l,i,j,k)*xi(m,i,j,k)
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enddo; enddo
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enddo; enddo
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temp33_Real = math_inv3x3(math_mul3333xx33(c0, xiDyad))
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temp33_Real = math_inv3x3(math_mul3333xx33(c0_reference, xiDyad))
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else
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else
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xiDyad = 0.0_pReal
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xiDyad = 0.0_pReal
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temp33_Real = 0.0_pReal
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temp33_Real = 0.0_pReal
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@ -425,9 +431,11 @@ program DAMASK_spectral
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! Initialization of fftw (see manual on fftw.org for more details)
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! Initialization of fftw (see manual on fftw.org for more details)
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if(DAMASK_NumThreadsInt>0_pInt) then
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call dfftw_init_threads(ierr)
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call dfftw_init_threads(ierr)
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if(ierr == 0_pInt) call IO_error(104,ierr)
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if(ierr == 0_pInt) call IO_error(104,ierr)
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call dfftw_plan_with_nthreads(DAMASK_NumThreadsInt)
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call dfftw_plan_with_nthreads(DAMASK_NumThreadsInt)
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endif
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call dfftw_plan_many_dft_r2c(plan_fft(1),3,(/resolution(1),resolution(2),resolution(3)/),9,&
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call dfftw_plan_many_dft_r2c(plan_fft(1),3,(/resolution(1),resolution(2),resolution(3)/),9,&
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workfft,(/resolution(1) +2,resolution(2),resolution(3)/),1,(resolution(1) +2)*resolution(2)*resolution(3),&
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workfft,(/resolution(1) +2,resolution(2),resolution(3)/),1,(resolution(1) +2)*resolution(2)*resolution(3),&
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@ -441,10 +449,14 @@ program DAMASK_spectral
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pstress_field, (/resolution(1),resolution(2),resolution(3)/),1,(resolution(1)*resolution(2)*resolution(3)),&
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pstress_field, (/resolution(1),resolution(2),resolution(3)/),1,(resolution(1)*resolution(2)*resolution(3)),&
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pstress_field_hat,(/resolution(1),resolution(2),resolution(3)/),1,(resolution(1)*resolution(2)*resolution(3)),&
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pstress_field_hat,(/resolution(1),resolution(2),resolution(3)/),1,(resolution(1)*resolution(2)*resolution(3)),&
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FFTW_FORWARD,FFTW_PATIENT)
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FFTW_FORWARD,FFTW_PATIENT)
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call dfftw_plan_many_dft_c2r(plan_div(2),3,(/resolution(1),resolution(2),resolution(3)/),3/3,&
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call dfftw_plan_many_dft_c2r(plan_div(2),3,(/resolution(1),resolution(2),resolution(3)/),3,&
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divergence_hat, (/resolution(1)/2+1,resolution(2),resolution(3)/),1,(resolution(1)/2+1)*resolution(2)*resolution(3),&
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divergence_hat, (/resolution(1)/2+1,resolution(2),resolution(3)/),1,(resolution(1)/2+1)*resolution(2)*resolution(3),&
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divergence ,(/resolution(1), resolution(2),resolution(3)/),1, resolution(1)* resolution(2)*resolution(3),&
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divergence ,(/resolution(1), resolution(2),resolution(3)/),1, resolution(1)* resolution(2)*resolution(3),&
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FFTW_PATIENT)
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FFTW_PATIENT)
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call dfftw_plan_many_dft(plan_div(3),3,(/resolution(1),resolution(2),resolution(3)/),3,&
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divergence_hat_full,(/resolution(1),resolution(2),resolution(3)/),1,resolution(1)*resolution(2)*resolution(3),&
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divergence_hat_full2,(/resolution(1),resolution(2),resolution(3)/),1,resolution(1)* resolution(2)*resolution(3),&
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FFTW_BACKWARD,FFTW_PATIENT)
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!!!!!!!!!!!!!!!!!!!!!!!! end divergence debugging
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!!!!!!!!!!!!!!!!!!!!!!!! end divergence debugging
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! write header of output file
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! write header of output file
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@ -483,6 +495,7 @@ program DAMASK_spectral
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mask_defgrad = merge(ones,zeroes,bc_mask(:,:,1,loadcase))
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mask_defgrad = merge(ones,zeroes,bc_mask(:,:,1,loadcase))
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mask_stress = merge(ones,zeroes,bc_mask(:,:,2,loadcase))
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mask_stress = merge(ones,zeroes,bc_mask(:,:,2,loadcase))
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deltaF = bc_deformation(:,:,loadcase) ! only valid for given fDot. will be overwritten later in case L is given
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deltaF = bc_deformation(:,:,loadcase) ! only valid for given fDot. will be overwritten later in case L is given
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!*************************************************************
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!*************************************************************
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! loop oper steps defined in input file for current loadcase
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! loop oper steps defined in input file for current loadcase
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@ -567,7 +580,7 @@ program DAMASK_spectral
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cstress,dsde, pstress, dPdF)
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cstress,dsde, pstress, dPdF)
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enddo; enddo; enddo
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enddo; enddo; enddo
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! c0_temp = 0.0_pReal !for calculation of s0 ToDo
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c_current = 0.0_pReal
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ielem = 0_pInt
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ielem = 0_pInt
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do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
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do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
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ielem = ielem + 1_pInt
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ielem = ielem + 1_pInt
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@ -577,29 +590,110 @@ program DAMASK_spectral
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temperature(i,j,k),timeinc,ielem,1_pInt,&
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temperature(i,j,k),timeinc,ielem,1_pInt,&
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cstress,dsde, pstress, dPdF)
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cstress,dsde, pstress, dPdF)
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CPFEM_mode = 2_pInt
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CPFEM_mode = 2_pInt
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! c0_temp = c0_temp + dPdF ToDo
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workfft(i,j,k,:,:) = pstress ! build up average P-K stress
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workfft(i,j,k,:,:) = pstress ! build up average P-K stress
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cstress_av = cstress_av + math_mandel6to33(cstress) ! build up average Cauchy stress
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cstress_av = cstress_av + math_mandel6to33(cstress) ! build up average Cauchy stress
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c_current = c_current + dPdF
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enddo; enddo; enddo
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enddo; enddo; enddo
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! call math_invert(9, math_plain3333to99(c0_temp),s099,i,errmatinv) ToDo
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c_current = c_current * wgt
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! if(errmatinv) call IO_error(800,ext_msg = "problem in c0 inversion") ToDo
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! s0 = math_plain99to3333(s099) *real(resolution(1)*resolution(2)*resolution(3), pReal) ! average s0 for calculation of BC ToDo
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cstress_av = cstress_av * wgt
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cstress_av = cstress_av * wgt
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do n = 1,3; do m = 1,3
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do n = 1,3; do m = 1,3
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pstress_av(m,n) = sum(workfft(1:resolution(1),1:resolution(2),1:resolution(3),m,n)) * wgt
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pstress_av(m,n) = sum(workfft(1:resolution(1),:,:,m,n)) * wgt
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defgrad_av(m,n) = sum(defgrad(1:resolution(1),1:resolution(2),1:resolution(3),m,n)) * wgt
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defgrad_av(m,n) = sum(defgrad(: ,:,:,m,n)) * wgt
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enddo; enddo
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enddo; enddo
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err_stress = maxval(abs(mask_stress * (pstress_av - bc_stress(:,:,loadcase))))
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err_stress = maxval(abs(mask_stress * (pstress_av - bc_stress(:,:,loadcase))))
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err_stress_tol = maxval(abs(pstress_av))*0.8*err_stress_tolrel
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err_stress_tol = maxval(abs(pstress_av))*0.8*err_stress_tolrel
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print*, 'Correcting deformation gradient to fullfill BCs'
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call math_invert(9, math_plain3333to99(c_current),s_current99,i,errmatinv)
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defgradAimCorrPrev = defgradAimCorr
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if(errmatinv) then
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defgradAimCorr = - (1.0_pReal - mask_defgrad) & ! allow alteration of all non-fixed defgrad components
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print*, 'using symmetric compliance'
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* math_mul3333xx33(s0, (mask_stress*(pstress_av - bc_stress(:,:,loadcase)))) ! residual on given stress components
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pause !somehow not working, maybe we don't need it
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!mask_stress6 = math_Plain33to6_logical(bc_mask(:,:,2,loadcase))
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size_reduced = count(mask_stress6)
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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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c_current66 = math_Plain3333to66(c_current)
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k = 0_pInt
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do n = 1,6
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if(mask_stress6(n)) then
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k = k + 1_pInt
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j = 0_pInt
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do m = 1,6
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if(mask_stress6(m)) then
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j = j + 1_pInt
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c_reduced(k,j) = c_current66(n,m)
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endif
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enddo
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endif
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enddo
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call math_invert(size_reduced, c_reduced, s_reduced, i, errmatinv)
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if(errmatinv) call IO_error(800)
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s_current66 = 0.0_pReal
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k = 0_pInt
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do n = 1,6
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if(mask_stress6(n)) then
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k = k + 1_pInt
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j = 0_pInt
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do m = 1,6
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if(mask_stress6(m)) then
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j = j + 1_pInt
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s_current66(n,m) = s_reduced(k,j)
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endif
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enddo
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endif
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enddo
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s_current = math_Plain66to3333(s_current66)
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else
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print*, 'using non-symmetric compliance'
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mask_stress9 = reshape(bc_mask(:,:,2,loadcase),(/9/))
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size_reduced = count(mask_stress9)
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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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c_current99 = math_Plain3333to99(c_current)
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k = 0_pInt
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do n = 1,9
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if(mask_stress9(n)) then
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||||||
|
k = k + 1_pInt
|
||||||
|
j = 0_pInt
|
||||||
|
do m = 1,9
|
||||||
|
if(mask_stress9(m)) then
|
||||||
|
j = j + 1_pInt
|
||||||
|
c_reduced(k,j) = c_current99(n,m)
|
||||||
|
endif
|
||||||
|
enddo
|
||||||
|
endif
|
||||||
|
enddo
|
||||||
|
call math_invert(size_reduced, c_reduced, s_reduced, i, errmatinv)
|
||||||
|
if(errmatinv) call IO_error(800)
|
||||||
|
|
||||||
|
s_current99 = 0.0_pReal
|
||||||
|
k = 0_pInt
|
||||||
|
do n = 1,9
|
||||||
|
if(mask_stress9(n)) then
|
||||||
|
k = k + 1_pInt
|
||||||
|
j = 0_pInt
|
||||||
|
do m = 1,9
|
||||||
|
if(mask_stress9(m)) then
|
||||||
|
j = j + 1_pInt
|
||||||
|
s_current99(n,m) = s_reduced(k,j)
|
||||||
|
endif
|
||||||
|
enddo
|
||||||
|
endif
|
||||||
|
enddo
|
||||||
|
s_current = math_Plain99to3333(s_current99)
|
||||||
|
endif
|
||||||
|
deallocate(c_reduced)
|
||||||
|
deallocate(s_reduced)
|
||||||
|
print*, 'Correcting deformation gradient to fullfill BCs'
|
||||||
|
|
||||||
|
defgradAimCorr = - math_mul3333xx33(s_current, ((pstress_av - bc_stress(:,:,loadcase)))) ! residual on given stress components
|
||||||
|
|
||||||
|
print*, 'change of Stress:'
|
||||||
|
print '(3(f10.4,x))', -math_transpose3x3(math_mul3333xx33(c_current,defgradAimCorr))/1.e6
|
||||||
|
print*, 'defgradAimCorr:'
|
||||||
|
print '(3(e12.3,x))', math_transpose3x3(defgradAimCorr)
|
||||||
do m=1,3; do n =1,3 ! calculate damper
|
do m=1,3; do n =1,3 ! calculate damper
|
||||||
|
! if ( sign(1.0_pReal,defgradAimCorr(m,n))/=sign(1.0_pReal,defgradAimCorrPrev(m,n))) then
|
||||||
if (defgradAimCorr(m,n) * defgradAimCorrPrev(m,n) < -relevantStrain ** 2.0_pReal) then ! insignificant within relevantstrain around zero
|
if (defgradAimCorr(m,n) * defgradAimCorrPrev(m,n) < -relevantStrain ** 2.0_pReal) then ! insignificant within relevantstrain around zero
|
||||||
damper(m,n) = max(0.01_pReal,damper(m,n)*0.8)
|
damper(m,n) = max(0.01_pReal,damper(m,n)*0.8)
|
||||||
else
|
else
|
||||||
|
|
@ -633,6 +727,9 @@ program DAMASK_spectral
|
||||||
cstress,dsde, pstress, dPdF)
|
cstress,dsde, pstress, dPdF)
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
ielem = 0_pInt
|
ielem = 0_pInt
|
||||||
|
!!!!!!!!!!!!!!!!!!!!!!!! start divergence debugging
|
||||||
|
pstress_field = cmplx(0.0_pReal,0.0_pReal)
|
||||||
|
!!!!!!!!!!!!!!!!!!!!!!!! end divergence debugging
|
||||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
||||||
ielem = ielem + 1_pInt
|
ielem = ielem + 1_pInt
|
||||||
call CPFEM_general(CPFEM_mode,& ! first element in first iteration retains CPFEM_mode 1,
|
call CPFEM_general(CPFEM_mode,& ! first element in first iteration retains CPFEM_mode 1,
|
||||||
|
|
@ -655,8 +752,8 @@ program DAMASK_spectral
|
||||||
print *, 'Calculating equilibrium using spectral method'
|
print *, 'Calculating equilibrium using spectral method'
|
||||||
err_div = 0.0_pReal
|
err_div = 0.0_pReal
|
||||||
p_hat_avg = 0.0_pReal
|
p_hat_avg = 0.0_pReal
|
||||||
|
|
||||||
!!!!!!!!!!!!!!!!!!!!!!!! start divergence debugging
|
!!!!!!!!!!!!!!!!!!!!!!!! start divergence debugging
|
||||||
|
|
||||||
p_hat_avg_inf = 0.0_pReal
|
p_hat_avg_inf = 0.0_pReal
|
||||||
p_hat_avg_two = 0.0_pReal
|
p_hat_avg_two = 0.0_pReal
|
||||||
p_real_avg_inf = 0.0_pReal
|
p_real_avg_inf = 0.0_pReal
|
||||||
|
|
@ -673,6 +770,10 @@ program DAMASK_spectral
|
||||||
err_real_div_avg_two = 0.0_pReal
|
err_real_div_avg_two = 0.0_pReal
|
||||||
err_real_div_max_inf = 0.0_pReal
|
err_real_div_max_inf = 0.0_pReal
|
||||||
err_real_div_max_two = 0.0_pReal
|
err_real_div_max_two = 0.0_pReal
|
||||||
|
err_real_div_avg_inf2 = 0.0_pReal
|
||||||
|
err_real_div_avg_two2 = 0.0_pReal
|
||||||
|
err_real_div_max_inf2 = 0.0_pReal
|
||||||
|
err_real_div_max_two2 = 0.0_pReal
|
||||||
!!!!!!!!!!!!!!!!!!!!!!!! end divergence debugging
|
!!!!!!!!!!!!!!!!!!!!!!!! end divergence debugging
|
||||||
|
|
||||||
call dfftw_execute_dft_r2c(plan_fft(1),workfft,workfft) ! FFT of pstress
|
call dfftw_execute_dft_r2c(plan_fft(1),workfft,workfft) ! FFT of pstress
|
||||||
|
|
@ -690,9 +791,11 @@ program DAMASK_spectral
|
||||||
!!!!!!!!!!!!!!!!!!!!!!!! end divergence debugging
|
!!!!!!!!!!!!!!!!!!!!!!!! end divergence debugging
|
||||||
|
|
||||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)/2+1
|
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)/2+1
|
||||||
|
! print*, workfft(2*i-1,j,k,:,:)+workfft(i*2,j,k,:,:)*cmplx(0.0,1.0)-pstress_field_hat(i,j,k,:,:)
|
||||||
err_div = max(err_div, maxval(abs(math_mul33x3_complex(workfft(i*2-1,j,k,:,:)+& ! maximum of L infinity norm of div(stress), Suquet 2001
|
err_div = max(err_div, maxval(abs(math_mul33x3_complex(workfft(i*2-1,j,k,:,:)+& ! maximum of L infinity norm of div(stress), Suquet 2001
|
||||||
workfft(i*2, j,k,:,:)*img,xi(:,i,j,k)*minval(geomdimension)))))
|
workfft(i*2, j,k,:,:)*img,xi(:,i,j,k)*minval(geomdimension)))))
|
||||||
!!!!!!!!!!!!!!!!!!!!!!!! start divergence debugging
|
!!!!!!!!!!!!!!!!!!!!!!!! start divergence debugging
|
||||||
|
!if(abs(sqrt(sum(math_mul33x3_complex(workfft(i*2-1,j,k,:,:)+workfft(i*2,j,k,:,:)*img,xi(:,i,j,k)*minval(geomdimension)))**2.0))>err_div_max_two) print*, i,j,k
|
||||||
err_div_max_two = max(err_div_max_two,abs(sqrt(sum(math_mul33x3_complex(workfft(i*2-1,j,k,:,:)+& ! maximum of L two norm of div(stress), Suquet 2001
|
err_div_max_two = max(err_div_max_two,abs(sqrt(sum(math_mul33x3_complex(workfft(i*2-1,j,k,:,:)+& ! maximum of L two norm of div(stress), Suquet 2001
|
||||||
workfft(i*2,j,k,:,:)*img,xi(:,i,j,k)*minval(geomdimension)))**2.0)))
|
workfft(i*2,j,k,:,:)*img,xi(:,i,j,k)*minval(geomdimension)))**2.0)))
|
||||||
err_div_avg_inf = err_div_avg_inf + (maxval(abs(math_mul33x3_complex(workfft(i*2-1,j,k,:,:)+& ! sum of squared L infinity norm of div(stress), Suquet 1998
|
err_div_avg_inf = err_div_avg_inf + (maxval(abs(math_mul33x3_complex(workfft(i*2-1,j,k,:,:)+& ! sum of squared L infinity norm of div(stress), Suquet 1998
|
||||||
|
|
@ -708,20 +811,24 @@ program DAMASK_spectral
|
||||||
do k = 1, resolution(3)
|
do k = 1, resolution(3)
|
||||||
n = 1
|
n = 1
|
||||||
do j = 1, resolution(2)
|
do j = 1, resolution(2)
|
||||||
|
!print*, xi(:,resolution(1)-i,j,k) + xi(:,i+2,n,m), resolution(1)-i,j,k
|
||||||
err_div_avg_inf = err_div_avg_inf + (maxval(abs(math_mul33x3_complex&
|
err_div_avg_inf = err_div_avg_inf + (maxval(abs(math_mul33x3_complex&
|
||||||
(workfft(3+2*i,n,m,:,:)+workfft(4+i*2,n,m,:,:)*img,xi(:,resolution(1)-i,j,k)*minval(geomdimension)))))**2.0
|
(workfft(3+2*i,n,m,:,:)+workfft(4+i*2,n,m,:,:)*cmplx(0.0,-1.0),xi(:,resolution(1)-i,j,k)*minval(geomdimension)))))**2.0
|
||||||
err_div_avg_two = err_div_avg_two + abs(sum((math_mul33x3_complex(workfft(3+2*i,n,m,:,:)+workfft(4+i*2,n,m,:,:)*img,&
|
err_div_avg_two = err_div_avg_two + abs(sum((math_mul33x3_complex(workfft(3+2*i,n,m,:,:)+workfft(4+i*2,n,m,:,:)*cmplx(0.0,-1.0),&
|
||||||
xi(:,resolution(1)-i,j,k)*minval(geomdimension)))**2.0))
|
xi(:,resolution(1)-i,j,k)*minval(geomdimension)))**2.0))
|
||||||
! workfft(resolution(1)-i,j,k,:,:) = conjg(workfft(2+i,n,m,:,:)) original code for complex array, above little bit confusing because compley data is stored in real array
|
! print*, workfft(3+2*i,n,m,:,:)+workfft(4+i*2,n,m,:,:)*cmplx(0.0,-1.0)-pstress_field_hat(resolution(1)-i,j,k,:,:)
|
||||||
|
|
||||||
|
! workfft(resolution(1)-i,j,k,:,:) = conjg(workfft(2+i,n,m,:,:)) original code for complex array, code above is a little bit confusing because compley data is stored in real array
|
||||||
if(n == 1) n = resolution(2) +1
|
if(n == 1) n = resolution(2) +1
|
||||||
n = n-1
|
n = n-1
|
||||||
enddo
|
enddo
|
||||||
if(m == 1) m = resolution(3) +1
|
if(m == 1) m = resolution(3) +1
|
||||||
m = m -1
|
m = m -1
|
||||||
enddo; enddo
|
enddo; enddo
|
||||||
|
! print*, 'new'
|
||||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1) !calculating divergence criteria for full field (no complex symmetry)
|
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1) !calculating divergence criteria for full field (no complex symmetry)
|
||||||
err_div_max_two2 = max(err_div_max_two,abs(sqrt(sum(math_mul33x3_complex(pstress_field_hat(i,j,k,:,:),xi(:,i,j,k)*&
|
if (abs(sqrt(sum(math_mul33x3_complex(pstress_field_hat(i,j,k,:,:),xi(:,i,j,k)*minval(geomdimension)))**2.0))>err_div_max_two2) print*, i,j,k
|
||||||
|
err_div_max_two2 = max(err_div_max_two2,abs(sqrt(sum(math_mul33x3_complex(pstress_field_hat(i,j,k,:,:),xi(:,i,j,k)*&
|
||||||
minval(geomdimension)))**2.0)))
|
minval(geomdimension)))**2.0)))
|
||||||
err_div_max_inf2 = max(err_div_max_inf2,(maxval(abs(math_mul33x3_complex(pstress_field_hat(i,j,k,:,:),xi(:,i,j,k)*&
|
err_div_max_inf2 = max(err_div_max_inf2,(maxval(abs(math_mul33x3_complex(pstress_field_hat(i,j,k,:,:),xi(:,i,j,k)*&
|
||||||
minval(geomdimension))))))
|
minval(geomdimension))))))
|
||||||
|
|
@ -745,29 +852,64 @@ program DAMASK_spectral
|
||||||
err_div = err_div/p_hat_avg !weigthting of error by average stress (L infinity norm)
|
err_div = err_div/p_hat_avg !weigthting of error by average stress (L infinity norm)
|
||||||
|
|
||||||
!!!!!!!!!!!!!!!!!!!!!!!! start divergence debugging
|
!!!!!!!!!!!!!!!!!!!!!!!! start divergence debugging
|
||||||
|
divergence_hat_full=0.0
|
||||||
!divergence in real space
|
!divergence in real space
|
||||||
do k = 1, resolution(3) ! calculation of discrete angular frequencies, ordered as in FFTW (wrap around)
|
do k = 1, resolution(3) ! calculation of discrete angular frequencies, ordered as in FFTW (wrap around)
|
||||||
k_s(3) = k-1
|
|
||||||
if(k > resolution(3)/2+1) k_s(3) = k_s(3)-resolution(3)
|
|
||||||
do j = 1, resolution(2)
|
do j = 1, resolution(2)
|
||||||
k_s(2) = j-1
|
|
||||||
if(j > resolution(2)/2+1) k_s(2) = k_s(2)-resolution(2)
|
|
||||||
do i = 1, resolution(1)/2+1
|
do i = 1, resolution(1)/2+1
|
||||||
k_s(1) = i-1
|
divergence_hat(i,j,k,1) = (workfft(i*2-1,j,k,1,1)+ workfft(i*2,j,k,1,1)*img)*xi(1,i,j,k)*img*pi*2.0&
|
||||||
divergence_hat(i,j,k,1) = (workfft(i*2-1,j,k,1,1)+ workfft(i*2,j,k,1,1)*img)*(real(k_s(1))*img*pi*2.0)/geomdimension(1)&
|
+ (workfft(i*2-1,j,k,2,1)+ workfft(i*2,j,k,2,1)*img)*xi(2,i,j,k)*img*pi*2.0&
|
||||||
+ (workfft(i*2-1,j,k,2,1)+ workfft(i*2,j,k,2,1)*img)*(real(k_s(2))*img*pi*2.0)/geomdimension(2)&
|
+ (workfft(i*2-1,j,k,3,1)+ workfft(i*2,j,k,3,1)*img)*xi(3,i,j,k)*img*pi*2.0
|
||||||
+ (workfft(i*2-1,j,k,3,1)+ workfft(i*2,j,k,3,1)*img)*(real(k_s(3))*img*pi*2.0)/geomdimension(3)
|
divergence_hat(i,j,k,2) = (workfft(i*2-1,j,k,1,2)+ workfft(i*2,j,k,1,2)*img)*xi(1,i,j,k)*img*pi*2.0&
|
||||||
divergence_hat(i,j,k,2) = (workfft(i*2-1,j,k,1,2)+ workfft(i*2,j,k,1,2)*img)*(real(k_s(1))*img*pi*2.0)/geomdimension(1)&
|
+ (workfft(i*2-1,j,k,2,2)+ workfft(i*2,j,k,2,2)*img)*xi(2,i,j,k)*img*pi*2.0&
|
||||||
+ (workfft(i*2-1,j,k,2,2)+ workfft(i*2,j,k,2,2)*img)*(real(k_s(2))*img*pi*2.0)/geomdimension(2)&
|
+ (workfft(i*2-1,j,k,3,2)+ workfft(i*2,j,k,3,2)*img)*xi(3,i,j,k)*img*pi*2.0
|
||||||
+ (workfft(i*2-1,j,k,3,2)+ workfft(i*2,j,k,3,2)*img)*(real(k_s(3))*img*pi*2.0)/geomdimension(3)
|
divergence_hat(i,j,k,3) = (workfft(i*2-1,j,k,1,3)+ workfft(i*2,j,k,1,3)*img)*xi(1,i,j,k)*img*pi*2.0&
|
||||||
divergence_hat(i,j,k,3) = (workfft(i*2-1,j,k,1,3)+ workfft(i*2,j,k,1,3)*img)*(real(k_s(1))*img*pi*2.0)/geomdimension(1)&
|
+ (workfft(i*2-1,j,k,2,3)+ workfft(i*2,j,k,2,3)*img)*xi(2,i,j,k)*img*pi*2.0&
|
||||||
+ (workfft(i*2-1,j,k,2,3)+ workfft(i*2,j,k,2,3)*img)*(real(k_s(2))*img*pi*2.0)/geomdimension(2)&
|
+ (workfft(i*2-1,j,k,3,3)+ workfft(i*2,j,k,3,3)*img)*xi(3,i,j,k)*img*pi*2.0
|
||||||
+ (workfft(i*2-1,j,k,3,3)+ workfft(i*2,j,k,3,3)*img)*(real(k_s(3))*img*pi*2.0)/geomdimension(3)
|
enddo; enddo; enddo
|
||||||
|
do k = 1, resolution(3) ! calculation of discrete angular frequencies, ordered as in FFTW (wrap around)
|
||||||
|
do j = 1, resolution(2)
|
||||||
|
do i = 1, resolution(1)/2+1
|
||||||
|
divergence_hat_full(i,j,k,1) = pstress_field_hat(i,j,k,1,1)*xi(1,i,j,k)*img*pi*2.0&
|
||||||
|
+ pstress_field_hat(i,j,k,2,1)*xi(2,i,j,k)*img*pi*2.0&
|
||||||
|
+ pstress_field_hat(i,j,k,3,1)*xi(3,i,j,k)*img*pi*2.0
|
||||||
|
divergence_hat_full(i,j,k,2) = pstress_field_hat(i,j,k,1,2)*xi(1,i,j,k)*img*pi*2.0&
|
||||||
|
+ pstress_field_hat(i,j,k,2,2)*xi(2,i,j,k)*img*pi*2.0&
|
||||||
|
+ pstress_field_hat(i,j,k,3,2)*xi(3,i,j,k)*img*pi*2.0
|
||||||
|
divergence_hat_full(i,j,k,3) = pstress_field_hat(i,j,k,1,3)*xi(1,i,j,k)*img*pi*2.0&
|
||||||
|
+ pstress_field_hat(i,j,k,2,3)*xi(2,i,j,k)*img*pi*2.0&
|
||||||
|
+ pstress_field_hat(i,j,k,3,3)*xi(3,i,j,k)*img*pi*2.0
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
|
|
||||||
|
! do i = 0, resolution(1)/2-2 ! reconstruct data of conjugated complex (symmetric) part in Fourier spaced
|
||||||
|
! m = 1
|
||||||
|
! do k = 1, resolution(3)
|
||||||
|
! n = 1
|
||||||
|
! do j = 1, resolution(2)
|
||||||
|
! divergence_hat_full(resolution(1)-i,j,k,1) = pstress_field_hat(resolution(1)-i,j,k,1,1)*xi(1,2+i,n,m)*img*pi*2.0&
|
||||||
|
! + pstress_field_hat(resolution(1)-i,j,k,2,1)*xi(2,2+i,n,m)*img*pi*2.0&
|
||||||
|
! + pstress_field_hat(resolution(1)-i,j,k,3,1)*xi(3,2+i,n,m)*img*pi*2.0
|
||||||
|
! divergence_hat_full(resolution(1)-i,j,k,2) = pstress_field_hat(resolution(1)-i,j,k,1,2)*xi(1,2+i,n,m)*img*pi*2.0&
|
||||||
|
! + pstress_field_hat(resolution(1)-i,j,k,2,2)*xi(2,2+i,n,m)*img*pi*2.0&
|
||||||
|
! + pstress_field_hat(resolution(1)-i,j,k,3,2)*xi(3,2+i,n,m)*img*pi*2.0
|
||||||
|
! divergence_hat_full(resolution(1)-i,j,k,3) = pstress_field_hat(resolution(1)-i,j,k,1,3)*xi(1,2+i,n,m)*img*pi*2.0&
|
||||||
|
! + pstress_field_hat(resolution(1)-i,j,k,2,3)*xi(2,2+i,n,m)*img*pi*2.0&
|
||||||
|
! + pstress_field_hat(resolution(1)-i,j,k,3,3)*xi(3,2+i,n,m)*img*pi*2.0
|
||||||
|
! if(n == 1) n = resolution(2) +1
|
||||||
|
! n = n-1
|
||||||
|
! enddo
|
||||||
|
! if(m == 1) m = resolution(3) +1
|
||||||
|
! m = m -1
|
||||||
|
! enddo; enddo
|
||||||
|
print*, divergence_hat_full
|
||||||
|
|
||||||
|
pause
|
||||||
call dfftw_execute_dft_c2r(plan_div(2), divergence_hat, divergence)
|
call dfftw_execute_dft_c2r(plan_div(2), divergence_hat, divergence)
|
||||||
|
call dfftw_execute_dft(plan_div(3), divergence_hat_full, divergence_hat_full2)
|
||||||
|
|
||||||
divergence = divergence*wgt
|
divergence = divergence*wgt
|
||||||
|
divergence_hat_full2 = divergence_hat_full2*wgt
|
||||||
|
print*, divergence_hat_full2
|
||||||
|
|
||||||
do m = 1,3 ! L infinity norm of stress tensor
|
do m = 1,3 ! L infinity norm of stress tensor
|
||||||
p_real_avg_inf = max(p_real_avg_inf, sum(abs(pstress_av(:,m))))
|
p_real_avg_inf = max(p_real_avg_inf, sum(abs(pstress_av(:,m))))
|
||||||
|
|
@ -779,15 +921,23 @@ program DAMASK_spectral
|
||||||
|
|
||||||
do k = 1, resolution(3); do j = 1, resolution(2) ;do i = 1, resolution(1)
|
do k = 1, resolution(3); do j = 1, resolution(2) ;do i = 1, resolution(1)
|
||||||
err_real_div_max_inf = max(err_real_div_max_inf, maxval(divergence(i,j,k,:)))
|
err_real_div_max_inf = max(err_real_div_max_inf, maxval(divergence(i,j,k,:)))
|
||||||
|
err_real_div_max_inf2 = max(err_real_div_max_inf2, maxval(real(divergence_hat_full2(i,j,k,:))))
|
||||||
err_real_div_max_two = max(err_real_div_max_two, sqrt(sum(divergence(i,j,k,:)**2.0)))
|
err_real_div_max_two = max(err_real_div_max_two, sqrt(sum(divergence(i,j,k,:)**2.0)))
|
||||||
|
err_real_div_max_two2 = max(err_real_div_max_two2, sqrt(sum(real(divergence_hat_full2(i,j,k,:))**2.0)))
|
||||||
err_real_div_avg_inf = err_real_div_avg_inf + (maxval(divergence(i,j,k,:)))**2.0
|
err_real_div_avg_inf = err_real_div_avg_inf + (maxval(divergence(i,j,k,:)))**2.0
|
||||||
|
err_real_div_avg_inf2 = err_real_div_avg_inf2 + (maxval(real(divergence_hat_full2(i,j,k,:))))**2.0
|
||||||
err_real_div_avg_two = err_real_div_avg_two + sum(divergence(i,j,k,:)**2.0) ! don't take square root just to square it again
|
err_real_div_avg_two = err_real_div_avg_two + sum(divergence(i,j,k,:)**2.0) ! don't take square root just to square it again
|
||||||
|
err_real_div_avg_two2 = err_real_div_avg_two2 + sum(real(divergence_hat_full2(i,j,k,:))**2.0) ! don't take square root just to square it again
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
|
|
||||||
err_real_div_max_inf = err_real_div_max_inf/p_real_avg_inf
|
err_real_div_max_inf = err_real_div_max_inf/p_real_avg_inf
|
||||||
|
err_real_div_max_inf2 = err_real_div_max_inf2/p_real_avg_inf
|
||||||
err_real_div_max_two = err_real_div_max_two/p_real_avg_two
|
err_real_div_max_two = err_real_div_max_two/p_real_avg_two
|
||||||
|
err_real_div_max_two2 = err_real_div_max_two2/p_real_avg_two
|
||||||
err_real_div_avg_inf = sqrt(err_real_div_avg_inf*wgt)/p_real_avg_inf
|
err_real_div_avg_inf = sqrt(err_real_div_avg_inf*wgt)/p_real_avg_inf
|
||||||
|
err_real_div_avg_inf2 = sqrt(err_real_div_avg_inf2*wgt)/p_real_avg_inf
|
||||||
err_real_div_avg_two = sqrt(err_real_div_avg_two*wgt)/p_real_avg_two
|
err_real_div_avg_two = sqrt(err_real_div_avg_two*wgt)/p_real_avg_two
|
||||||
|
err_real_div_avg_two2 = sqrt(err_real_div_avg_two2*wgt)/p_real_avg_two
|
||||||
!!!!!!!!!!!!!!!!!!!!!!!! end divergence debugging
|
!!!!!!!!!!!!!!!!!!!!!!!! end divergence debugging
|
||||||
|
|
||||||
if(memory_efficient) then ! memory saving version, on-the-fly calculation of gamma_hat
|
if(memory_efficient) then ! memory saving version, on-the-fly calculation of gamma_hat
|
||||||
|
|
@ -796,7 +946,7 @@ program DAMASK_spectral
|
||||||
do l = 1,3; do m = 1,3
|
do l = 1,3; do m = 1,3
|
||||||
xiDyad(l,m) = xi(l,i,j,k)*xi(m,i,j,k)
|
xiDyad(l,m) = xi(l,i,j,k)*xi(m,i,j,k)
|
||||||
enddo; enddo
|
enddo; enddo
|
||||||
temp33_Real = math_inv3x3(math_mul3333xx33(c0, xiDyad))
|
temp33_Real = math_inv3x3(math_mul3333xx33(c0_reference, xiDyad))
|
||||||
else
|
else
|
||||||
xiDyad = 0.0_pReal
|
xiDyad = 0.0_pReal
|
||||||
temp33_Real = 0.0_pReal
|
temp33_Real = 0.0_pReal
|
||||||
|
|
@ -839,18 +989,22 @@ program DAMASK_spectral
|
||||||
|
|
||||||
print '(2(a,E8.2))', ' error divergence: ',err_div, ' Tol. = ', err_div_tol
|
print '(2(a,E8.2))', ' error divergence: ',err_div, ' Tol. = ', err_div_tol
|
||||||
!!!!!!!!!!!!!!!!!!!!!!!! start divergence debugging
|
!!!!!!!!!!!!!!!!!!!!!!!! start divergence debugging
|
||||||
print '((a,E12.7))', ' error divergence FT (max,inf): ',err_div_max_inf
|
print '((a,E16.11))', ' error divergence FT (max,inf): ',err_div_max_inf
|
||||||
print '((a,E12.7))', ' error divergence FT (max,inf2): ',err_div_max_inf2
|
print '((a,E16.11))', ' error divergence FT (max,inf2): ',err_div_max_inf2
|
||||||
print '((a,E12.7))', ' error divergence FT (max,two): ',err_div_max_two
|
print '((a,E16.11))', ' error divergence FT (max,two): ',err_div_max_two
|
||||||
print '((a,E12.7))', ' error divergence FT (max,two2): ',err_div_max_two2
|
print '((a,E16.11))', ' error divergence FT (max,two2): ',err_div_max_two2
|
||||||
print '((a,E12.6))', ' error divergence FT (avg,inf): ',err_div_avg_inf
|
print '((a,E16.11))', ' error divergence FT (avg,inf): ',err_div_avg_inf
|
||||||
print '((a,E12.6))', ' error divergence FT (avg,inf2): ',err_div_avg_inf2
|
print '((a,E16.11))', ' error divergence FT (avg,inf2): ',err_div_avg_inf2
|
||||||
print '((a,E12.7))', ' error divergence FT (avg,two): ',err_div_avg_two
|
print '((a,E16.11))', ' error divergence FT (avg,two): ',err_div_avg_two
|
||||||
print '((a,E12.7))', ' error divergence FT (avg,two2): ',err_div_avg_two2
|
print '((a,E16.11))', ' error divergence FT (avg,two2): ',err_div_avg_two2
|
||||||
print '((a,E8.2))', ' error divergence Real (max,inf): ',err_real_div_max_inf
|
print '((a,E8.2))', ' error divergence Real (max,inf): ',err_real_div_max_inf
|
||||||
|
print '((a,E8.2))', ' error divergence Real (max,inf2): ',err_real_div_max_inf2
|
||||||
print '((a,E8.2))', ' error divergence Real (max,two): ',err_real_div_max_two
|
print '((a,E8.2))', ' error divergence Real (max,two): ',err_real_div_max_two
|
||||||
|
print '((a,E8.2))', ' error divergence Real (max,two2): ',err_real_div_max_two2
|
||||||
print '((a,E8.2))', ' error divergence Real (avg,inf): ',err_real_div_avg_inf
|
print '((a,E8.2))', ' error divergence Real (avg,inf): ',err_real_div_avg_inf
|
||||||
|
print '((a,E8.2))', ' error divergence Real (avg,inf2): ',err_real_div_avg_inf2
|
||||||
print '((a,E8.2))', ' error divergence Real (avg,two): ',err_real_div_avg_two
|
print '((a,E8.2))', ' error divergence Real (avg,two): ',err_real_div_avg_two
|
||||||
|
print '((a,E8.2))', ' error divergence Real (avg,two2): ',err_real_div_avg_two2
|
||||||
!!!!!!!!!!!!!!!!!!!!!!!! end divergence debugging
|
!!!!!!!!!!!!!!!!!!!!!!!! end divergence debugging
|
||||||
print '(2(a,E8.2))', ' error stress: ',err_stress, ' Tol. = ', err_stress_tol
|
print '(2(a,E8.2))', ' error stress: ',err_stress, ' Tol. = ', err_stress_tol
|
||||||
print '(2(a,E8.2))', ' error deformation gradient: ',err_defgrad,' Tol. = ', err_defgrad_tol
|
print '(2(a,E8.2))', ' error deformation gradient: ',err_defgrad,' Tol. = ', err_defgrad_tol
|
||||||
|
|
@ -858,7 +1012,7 @@ program DAMASK_spectral
|
||||||
if((err_stress > err_stress_tol .or. err_defgrad > err_defgrad_tol) .and. err_div < err_div_tol) then ! change to calculation of BCs, reset damper etc.
|
if((err_stress > err_stress_tol .or. err_defgrad > err_defgrad_tol) .and. err_div < err_div_tol) then ! change to calculation of BCs, reset damper etc.
|
||||||
calcmode = 0_pInt
|
calcmode = 0_pInt
|
||||||
defgradAimCorr = 0.0_pReal
|
defgradAimCorr = 0.0_pReal
|
||||||
damper = damper * 0.9_pReal
|
damper = 1.0_pReal
|
||||||
endif
|
endif
|
||||||
end select
|
end select
|
||||||
enddo ! end looping when convergency is achieved
|
enddo ! end looping when convergency is achieved
|
||||||
|
|
|
||||||
|
|
@ -1167,6 +1167,23 @@ pure function math_transpose3x3(A)
|
||||||
endfunction math_Plain33to9
|
endfunction math_Plain33to9
|
||||||
|
|
||||||
|
|
||||||
|
!********************************************************************
|
||||||
|
! convert symmetric 3x3 matrix into plain vector 6x1
|
||||||
|
!********************************************************************
|
||||||
|
pure function math_Plain33to6(m33)
|
||||||
|
|
||||||
|
use prec, only: pReal,pInt
|
||||||
|
implicit none
|
||||||
|
|
||||||
|
real(pReal), dimension(3,3), intent(in) :: m33
|
||||||
|
real(pReal), dimension(6) :: math_Plain33to6
|
||||||
|
integer(pInt) i
|
||||||
|
|
||||||
|
forall (i=1:6) math_Plain33to6(i) = m33(mapMandel(1,i),mapMandel(2,i))
|
||||||
|
|
||||||
|
endfunction math_Plain33to6
|
||||||
|
|
||||||
|
|
||||||
!********************************************************************
|
!********************************************************************
|
||||||
! convert Plain 9x1 back to 3x3 matrix
|
! convert Plain 9x1 back to 3x3 matrix
|
||||||
!********************************************************************
|
!********************************************************************
|
||||||
|
|
@ -1313,6 +1330,43 @@ pure function math_transpose3x3(A)
|
||||||
|
|
||||||
endfunction math_Mandel3333to66
|
endfunction math_Mandel3333to66
|
||||||
|
|
||||||
|
!********************************************************************
|
||||||
|
! convert symmetric 3x3x3x3 tensor into Plain matrix 6x6
|
||||||
|
!********************************************************************
|
||||||
|
pure function math_Plain3333to66(m3333)
|
||||||
|
|
||||||
|
use prec, only: pReal,pInt
|
||||||
|
implicit none
|
||||||
|
|
||||||
|
real(pReal), dimension(3,3,3,3), intent(in) :: m3333
|
||||||
|
real(pReal), dimension(6,6) :: math_Plain3333to66
|
||||||
|
integer(pInt) i,j
|
||||||
|
|
||||||
|
forall (i=1:6,j=1:6) math_Plain3333to66(i,j) = &
|
||||||
|
m3333(mapMandel(1,i),mapMandel(2,i),mapMandel(1,j),mapMandel(2,j))
|
||||||
|
|
||||||
|
endfunction math_Plain3333to66
|
||||||
|
|
||||||
|
!********************************************************************
|
||||||
|
! convert Plain matrix 6x6 back to symmetric 3x3x3x3 tensor
|
||||||
|
!********************************************************************
|
||||||
|
pure function math_Plain66to3333(m66)
|
||||||
|
|
||||||
|
use prec, only: pReal,pInt
|
||||||
|
implicit none
|
||||||
|
|
||||||
|
real(pReal), dimension(6,6), intent(in) :: m66
|
||||||
|
real(pReal), dimension(3,3,3,3) :: math_Plain66to3333
|
||||||
|
integer(pInt) i,j
|
||||||
|
|
||||||
|
forall (i=1:6,j=1:6)
|
||||||
|
math_Plain66to3333(mapMandel(1,i),mapMandel(2,i),mapMandel(1,j),mapMandel(2,j)) = m66(i,j)
|
||||||
|
math_Plain66to3333(mapMandel(2,i),mapMandel(1,i),mapMandel(1,j),mapMandel(2,j)) = m66(i,j)
|
||||||
|
math_Plain66to3333(mapMandel(1,i),mapMandel(2,i),mapMandel(2,j),mapMandel(1,j)) = m66(i,j)
|
||||||
|
math_Plain66to3333(mapMandel(2,i),mapMandel(1,i),mapMandel(2,j),mapMandel(1,j)) = m66(i,j)
|
||||||
|
end forall
|
||||||
|
|
||||||
|
endfunction math_Plain66to3333
|
||||||
|
|
||||||
|
|
||||||
!********************************************************************
|
!********************************************************************
|
||||||
|
|
|
||||||
|
|
@ -1,626 +0,0 @@
|
||||||
! Copyright 2011 Max-Planck-Institut für Eisenforschung GmbH
|
|
||||||
!
|
|
||||||
! This file is part of DAMASK,
|
|
||||||
! the Düsseldorf Advanced MAterial Simulation Kit.
|
|
||||||
!
|
|
||||||
! DAMASK is free software: you can redistribute it and/or modify
|
|
||||||
! it under the terms of the GNU General Public License as published by
|
|
||||||
! the Free Software Foundation, either version 3 of the License, or
|
|
||||||
! (at your option) any later version.
|
|
||||||
!
|
|
||||||
! DAMASK is distributed in the hope that it will be useful,
|
|
||||||
! but WITHOUT ANY WARRANTY; without even the implied warranty of
|
|
||||||
! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
|
|
||||||
! GNU General Public License for more details.
|
|
||||||
!
|
|
||||||
! You should have received a copy of the GNU General Public License
|
|
||||||
! along with DAMASK. If not, see <http://www.gnu.org/licenses/>.
|
|
||||||
!
|
|
||||||
!##############################################################
|
|
||||||
!* $Id: mpie_spectral2d.f90 665 2010-10-13 16:04:44Z MPIE\m.diehl $
|
|
||||||
!********************************************************************
|
|
||||||
! Material subroutine for BVP solution using spectral method
|
|
||||||
! Version for 2D Problems, suitable for testing and implementation of new features
|
|
||||||
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
|
|
||||||
! Not working by now due to changes on other routines
|
|
||||||
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
|
|
||||||
! written by P. Eisenlohr,
|
|
||||||
! F. Roters,
|
|
||||||
! L. Hantcherli,
|
|
||||||
! W.A. Counts
|
|
||||||
! D.D. Tjahjanto
|
|
||||||
! C. Kords
|
|
||||||
! M. Diehl
|
|
||||||
! R. Lebensohn
|
|
||||||
!
|
|
||||||
! MPI fuer Eisenforschung, Duesseldorf
|
|
||||||
!
|
|
||||||
!********************************************************************
|
|
||||||
! Usage:
|
|
||||||
! - start program with mpie_spectral PathToMeshFile/NameOfMesh.mesh
|
|
||||||
! PathToLoadFile/NameOfLoadFile.load
|
|
||||||
! - PathToLoadFile will be the working directory
|
|
||||||
! - make sure the file "material.config" exists in the working
|
|
||||||
! directory
|
|
||||||
!********************************************************************
|
|
||||||
program DAMASK_spectral
|
|
||||||
!********************************************************************
|
|
||||||
|
|
||||||
use DAMASK_interface
|
|
||||||
use prec, only: pInt, pReal
|
|
||||||
use IO
|
|
||||||
use math
|
|
||||||
use CPFEM, only: CPFEM_general
|
|
||||||
use numerics, only: relevantStrain, rTol_crystalliteStress
|
|
||||||
|
|
||||||
implicit none
|
|
||||||
include 'include/fftw3.f' !header file for fftw3 (declaring variables). Library file is also needed
|
|
||||||
|
|
||||||
! variables to read from loadcase and mesh file
|
|
||||||
real(pReal), dimension(9) :: valuevector ! stores information temporarily from loadcase file
|
|
||||||
integer(pInt), parameter :: maxNchunksInput = 24 ! 4 identifiers, 18 values for the matrices and 2 scalars
|
|
||||||
integer(pInt), dimension (1+maxNchunksInput*2) :: posInput
|
|
||||||
integer(pInt), parameter :: maxNchunksMesh = 7 ! 4 identifiers, 3 values
|
|
||||||
integer(pInt), dimension (1+2*maxNchunksMesh) :: posMesh
|
|
||||||
integer(pInt) unit, N_l, N_s, N_t, N_n ! numbers of identifiers
|
|
||||||
character(len=1024) path, line
|
|
||||||
logical gotResolution,gotDimension,gotHomogenization
|
|
||||||
logical, dimension(9) :: bc_maskvector
|
|
||||||
|
|
||||||
! variables storing information from loadcase file
|
|
||||||
real(pReal) timeinc
|
|
||||||
real(pReal), dimension (:,:,:), allocatable :: bc_velocityGrad, &
|
|
||||||
bc_stress ! velocity gradient and stress BC
|
|
||||||
real(pReal), dimension(:), allocatable :: bc_timeIncrement ! length of increment
|
|
||||||
integer(pInt) N_Loadcases, steps
|
|
||||||
integer(pInt), dimension(:), allocatable :: bc_steps ! number of steps
|
|
||||||
logical, dimension(:,:,:,:), allocatable :: bc_mask ! mask of boundary conditions
|
|
||||||
|
|
||||||
! variables storing information from mesh file
|
|
||||||
real(pReal) wgt
|
|
||||||
real(pReal), dimension(3) :: meshdimension
|
|
||||||
integer(pInt) homog, prodnn
|
|
||||||
integer(pInt), dimension(3) :: resolution
|
|
||||||
|
|
||||||
! stress etc.
|
|
||||||
real(pReal), dimension(3,3) :: ones, zeroes, temp33_Real, damper,&
|
|
||||||
pstress, pstress_av, cstress_av, defgrad_av,&
|
|
||||||
defgradAim, defgradAimOld, defgradAimCorr, defgradAimCorrPrev,&
|
|
||||||
mask_stress, mask_defgrad
|
|
||||||
real(pReal), dimension(3,3,3,3) :: dPdF, c0, s0
|
|
||||||
real(pReal), dimension(6) :: cstress ! cauchy stress in Mandel notation
|
|
||||||
real(pReal), dimension(6,6) :: dsde, c066, s066
|
|
||||||
real(pReal), dimension(:,:,:,:), allocatable :: defgradold, cstress_field, defgrad
|
|
||||||
complex(pReal), dimension(:,:,:,:), allocatable :: pstress_field, tau
|
|
||||||
complex(pReal), dimension(:,:), allocatable :: ddefgrad
|
|
||||||
|
|
||||||
! variables storing information for spectral method
|
|
||||||
complex(pReal), dimension(:,:,:,:), allocatable :: workfft
|
|
||||||
complex(pReal), dimension(3,3) :: temp33_Complex
|
|
||||||
real(pReal), dimension(3,3) :: xinormdyad
|
|
||||||
real(pReal), dimension(:,:,:,:,:,:), allocatable :: gamma_hat
|
|
||||||
real(pReal), dimension(:,:,:), allocatable :: xi
|
|
||||||
integer(pInt), dimension(2) :: k_s
|
|
||||||
integer*8, dimension(3,3,3) :: plan_fft
|
|
||||||
|
|
||||||
! convergence etc.
|
|
||||||
real(pReal) err_div, err_stress, err_defgrad
|
|
||||||
real(pReal) err_div_tol, err_stress_tol, err_stress_tolrel, sigma0
|
|
||||||
integer(pInt) itmax, ierr
|
|
||||||
logical errmatinv
|
|
||||||
|
|
||||||
! loop variables etc.
|
|
||||||
real(pReal) guessmode ! flip-flop to guess defgrad fluctuation field evolution
|
|
||||||
integer(pInt) i, j, k, l, m, n, p
|
|
||||||
integer(pInt) loadcase, ielem, iter, calcmode, CPFEM_mode
|
|
||||||
|
|
||||||
real(pReal) temperature ! not used, but needed for call to CPFEM_general
|
|
||||||
|
|
||||||
!gmsh output
|
|
||||||
character(len=1024) :: nriter
|
|
||||||
character(len=1024) :: nrstep
|
|
||||||
character(len=1024) :: nrloadcase
|
|
||||||
real(pReal), dimension(:,:,:), allocatable :: displacement
|
|
||||||
!gmsh output
|
|
||||||
|
|
||||||
!Initializing
|
|
||||||
bc_maskvector = ''
|
|
||||||
unit = 234_pInt
|
|
||||||
|
|
||||||
ones = 1.0_pReal
|
|
||||||
zeroes = 0.0_pReal
|
|
||||||
|
|
||||||
N_l = 0_pInt
|
|
||||||
N_s = 0_pInt
|
|
||||||
N_t = 0_pInt
|
|
||||||
N_n = 0_pInt
|
|
||||||
|
|
||||||
resolution = 1_pInt; meshdimension = 0.0_pReal
|
|
||||||
|
|
||||||
err_div_tol = 1.0e-4
|
|
||||||
itmax = 250_pInt
|
|
||||||
err_stress_tolrel=0.01
|
|
||||||
|
|
||||||
temperature = 300.0_pReal
|
|
||||||
|
|
||||||
gotResolution =.false.; gotDimension =.false.; gotHomogenization = .false.
|
|
||||||
|
|
||||||
if (IargC() /= 2) call IO_error(102) ! check for correct number of given arguments
|
|
||||||
|
|
||||||
! Reading the loadcase file and assign variables
|
|
||||||
path = getLoadcaseName()
|
|
||||||
print*,'Loadcase: ',trim(path)
|
|
||||||
print*,'Workingdir: ',trim(getSolverWorkingDirectoryName())
|
|
||||||
|
|
||||||
if (.not. IO_open_file(unit,path)) call IO_error(45,ext_msg = path)
|
|
||||||
|
|
||||||
rewind(unit)
|
|
||||||
do
|
|
||||||
read(unit,'(a1024)',END = 101) line
|
|
||||||
if (IO_isBlank(line)) cycle ! skip empty lines
|
|
||||||
posInput = IO_stringPos(line,maxNchunksInput)
|
|
||||||
do i = 1, maxNchunksInput, 1
|
|
||||||
select case (IO_lc(IO_stringValue(line,posInput,i)))
|
|
||||||
case('l','velocitygrad')
|
|
||||||
N_l = N_l+1
|
|
||||||
case('s','stress')
|
|
||||||
N_s = N_s+1
|
|
||||||
case('t','time','delta')
|
|
||||||
N_t = N_t+1
|
|
||||||
case('n','incs','increments','steps')
|
|
||||||
N_n = N_n+1
|
|
||||||
end select
|
|
||||||
enddo ! count all identifiers to allocate memory and do sanity check
|
|
||||||
if ((N_l /= N_s).or.(N_s /= N_t).or.(N_t /= N_n)) & ! sanity check
|
|
||||||
call IO_error(46,ext_msg = path) !error message for incomplete input file
|
|
||||||
|
|
||||||
enddo
|
|
||||||
|
|
||||||
! allocate memory depending on lines in input file
|
|
||||||
101 N_Loadcases = N_l
|
|
||||||
|
|
||||||
allocate (bc_velocityGrad(3,3,N_Loadcases)); bc_velocityGrad = 0.0_pReal
|
|
||||||
allocate (bc_stress(3,3,N_Loadcases)); bc_stress = 0.0_pReal
|
|
||||||
allocate (bc_mask(3,3,2,N_Loadcases)); bc_mask = .false.
|
|
||||||
allocate (bc_timeIncrement(N_Loadcases)); bc_timeIncrement = 0.0_pReal
|
|
||||||
allocate (bc_steps(N_Loadcases)); bc_steps = 0_pInt
|
|
||||||
|
|
||||||
rewind(unit)
|
|
||||||
i = 0_pInt
|
|
||||||
do
|
|
||||||
read(unit,'(a1024)',END = 200) line
|
|
||||||
if (IO_isBlank(line)) cycle ! skip empty lines
|
|
||||||
i = i + 1
|
|
||||||
posInput = IO_stringPos(line,maxNchunksInput)
|
|
||||||
do j = 1,maxNchunksInput,2
|
|
||||||
select case (IO_lc(IO_stringValue(line,posInput,j)))
|
|
||||||
case('l','velocitygrad')
|
|
||||||
valuevector = 0.0_pReal
|
|
||||||
forall (k = 1:9) bc_maskvector(k) = IO_stringValue(line,posInput,j+k) /= '#'
|
|
||||||
do k = 1,9
|
|
||||||
if (bc_maskvector(k)) valuevector(k) = IO_floatValue(line,posInput,j+k) ! assign values for the velocity gradient matrix
|
|
||||||
enddo
|
|
||||||
bc_mask(:,:,1,i) = reshape(bc_maskvector,(/3,3/))
|
|
||||||
bc_velocityGrad(:,:,i) = reshape(valuevector,(/3,3/))
|
|
||||||
case('s','stress')
|
|
||||||
valuevector = 0.0_pReal
|
|
||||||
forall (k = 1:9) bc_maskvector(k) = IO_stringValue(line,posInput,j+k) /= '#'
|
|
||||||
do k = 1,9
|
|
||||||
if (bc_maskvector(k)) valuevector(k) = IO_floatValue(line,posInput,j+k) ! assign values for the bc_stress matrix
|
|
||||||
enddo
|
|
||||||
bc_mask(:,:,2,i) = reshape(bc_maskvector,(/3,3/))
|
|
||||||
bc_stress(:,:,i) = reshape(valuevector,(/3,3/))
|
|
||||||
case('t','time','delta') ! increment time
|
|
||||||
bc_timeIncrement(i) = IO_floatValue(line,posInput,j+1)
|
|
||||||
case('n','incs','increments','steps') ! bc_steps
|
|
||||||
bc_steps(i) = IO_intValue(line,posInput,j+1)
|
|
||||||
end select
|
|
||||||
enddo; enddo
|
|
||||||
|
|
||||||
200 close(unit)
|
|
||||||
|
|
||||||
do i = 1, N_Loadcases
|
|
||||||
if (any(bc_mask(:,:,1,i) == bc_mask(:,:,2,i))) call IO_error(47,i) ! bc_mask consistency
|
|
||||||
print '(a,/,3(3(f12.6,x)/))','L',bc_velocityGrad(:,:,i)
|
|
||||||
print '(a,/,3(3(f12.6,x)/))','bc_stress',bc_stress(:,:,i)
|
|
||||||
print '(a,/,3(3(l,x)/))','bc_mask for velocitygrad',bc_mask(:,:,1,i)
|
|
||||||
print '(a,/,3(3(l,x)/))','bc_mask for stress',bc_mask(:,:,2,i)
|
|
||||||
print *,'time',bc_timeIncrement(i)
|
|
||||||
print *,'incs',bc_steps(i)
|
|
||||||
print *, ''
|
|
||||||
enddo
|
|
||||||
|
|
||||||
!read header of mesh file to get the information needed before the complete mesh file is intepretated by mesh.f90
|
|
||||||
path = getSolverJobName()
|
|
||||||
print*,'JobName: ',trim(path)
|
|
||||||
if (.not. IO_open_file(unit,trim(path)//InputFileExtension)) call IO_error(101,ext_msg = path)
|
|
||||||
|
|
||||||
rewind(unit)
|
|
||||||
do
|
|
||||||
read(unit,'(a1024)',END = 100) line
|
|
||||||
if (IO_isBlank(line)) cycle ! skip empty lines
|
|
||||||
posMesh = IO_stringPos(line,maxNchunksMesh)
|
|
||||||
|
|
||||||
select case ( IO_lc(IO_StringValue(line,posMesh,1)) )
|
|
||||||
case ('dimension')
|
|
||||||
gotDimension = .true.
|
|
||||||
do i = 2,6,2
|
|
||||||
select case (IO_lc(IO_stringValue(line,posMesh,i)))
|
|
||||||
case('x')
|
|
||||||
meshdimension(1) = IO_floatValue(line,posMesh,i+1)
|
|
||||||
case('y')
|
|
||||||
meshdimension(2) = IO_floatValue(line,posMesh,i+1)
|
|
||||||
case('z')
|
|
||||||
meshdimension(3) = IO_floatValue(line,posMesh,i+1)
|
|
||||||
end select
|
|
||||||
enddo
|
|
||||||
case ('homogenization')
|
|
||||||
gotHomogenization = .true.
|
|
||||||
homog = IO_intValue(line,posMesh,2)
|
|
||||||
case ('resolution')
|
|
||||||
gotResolution = .true.
|
|
||||||
do i = 2,6,2
|
|
||||||
select case (IO_lc(IO_stringValue(line,posMesh,i)))
|
|
||||||
case('a')
|
|
||||||
resolution(1) = IO_intValue(line,posMesh,i+1)
|
|
||||||
case('b')
|
|
||||||
resolution(2) = IO_intValue(line,posMesh,i+1)
|
|
||||||
case('c')
|
|
||||||
resolution(3) = IO_intValue(line,posMesh,i+1)
|
|
||||||
end select
|
|
||||||
enddo
|
|
||||||
end select
|
|
||||||
if (gotDimension .and. gotHomogenization .and. gotResolution) exit
|
|
||||||
if (resolution(3) /=1) exit
|
|
||||||
enddo
|
|
||||||
100 close(unit)
|
|
||||||
|
|
||||||
print '(a,/,i4,i4,i4)','resolution a b c', resolution
|
|
||||||
print '(a,/,f6.1,f6.1,f6.1)','dimension x y z', meshdimension
|
|
||||||
print *,'homogenization',homog
|
|
||||||
print *, ''
|
|
||||||
|
|
||||||
allocate (workfft(resolution(1),resolution(2),3,3)); workfft = 0.0_pReal
|
|
||||||
allocate (gamma_hat(resolution(1),resolution(2),3,3,3,3)); gamma_hat = 0.0_pReal
|
|
||||||
allocate (xi(resolution(1),resolution(2),3)); xi = 0.0_pReal
|
|
||||||
allocate (pstress_field(resolution(1),resolution(2),3,3)); pstress_field = 0.0_pReal
|
|
||||||
allocate (cstress_field(resolution(1),resolution(2),3,3)); cstress_field = 0.0_pReal
|
|
||||||
allocate (tau(resolution(1),resolution(2),3,3)); tau = 0.0_pReal
|
|
||||||
allocate (displacement(resolution(1),resolution(2),3)); displacement = 0.0_pReal
|
|
||||||
allocate (defgrad(resolution(1),resolution(2),3,3)); defgrad = 0.0_pReal
|
|
||||||
allocate (defgradold(resolution(1),resolution(2),3,3)); defgradold = 0.0_pReal
|
|
||||||
allocate (ddefgrad(resolution(1),resolution(2))); ddefgrad = 0.0_pReal
|
|
||||||
|
|
||||||
! Initialization of fftw (see manual on fftw.org for more details)
|
|
||||||
call dfftw_init_threads(ierr)
|
|
||||||
call dfftw_plan_with_nthreads(4)
|
|
||||||
do m = 1,3; do n = 1,3
|
|
||||||
call dfftw_plan_dft_2d(plan_fft(1,m,n),resolution(1),resolution(2),&
|
|
||||||
cstress_field(:,:,m,n), workfft(:,:,m,n), FFTW_PATIENT, FFTW_FORWARD) !only for calculation of div (P)
|
|
||||||
call dfftw_plan_dft_2d(plan_fft(2,m,n),resolution(1),resolution(2),&
|
|
||||||
tau(:,:,m,n), workfft(:,:,m,n), FFTW_PATIENT, FFTW_FORWARD)
|
|
||||||
call dfftw_plan_dft_2d(plan_fft(3,m,n),resolution(1),resolution(2),&
|
|
||||||
workfft(:,:,m,n), ddefgrad(:,:), FFTW_PATIENT, FFTW_BACKWARD)
|
|
||||||
enddo; enddo
|
|
||||||
|
|
||||||
prodnn = resolution(1)*resolution(2)
|
|
||||||
wgt = 1_pReal/real(prodnn, pReal)
|
|
||||||
defgradAim = math_I3
|
|
||||||
defgradAimOld = math_I3
|
|
||||||
defgrad_av = math_I3
|
|
||||||
! Initialization of CPFEM_general (= constitutive law) and of deformation gradient field
|
|
||||||
ielem = 0_pInt
|
|
||||||
c066 = 0.0_pReal
|
|
||||||
do j = 1, resolution(3); do i = 1, resolution(2)
|
|
||||||
defgradold(i,j,:,:) = math_I3 !no deformation at the beginning
|
|
||||||
defgrad(i,j,:,:) = math_I3
|
|
||||||
ielem = ielem +1
|
|
||||||
call CPFEM_general(2,math_I3,math_I3,temperature,0.0_pReal,ielem,1_pInt,cstress,dsde,pstress,dPdF)
|
|
||||||
c066 = c066 + dsde
|
|
||||||
enddo; enddo
|
|
||||||
c066 = c066 * wgt
|
|
||||||
c0 = math_mandel66to3333(c066)
|
|
||||||
call math_invert(6, c066, s066,i, errmatinv)
|
|
||||||
s0 = math_mandel66to3333(s066)
|
|
||||||
|
|
||||||
!calculation of xinormdyad (to calculate gamma_hat) and xi (waves, for proof of equilibrium)
|
|
||||||
|
|
||||||
do j = 1, resolution(2)
|
|
||||||
k_s(2) = j-1
|
|
||||||
if(j > resolution(2)/2+1) k_s(2) = k_s(2)-resolution(2)
|
|
||||||
do i = 1, resolution(1)
|
|
||||||
k_s(1) = i-1
|
|
||||||
if(i > resolution(1)/2+1) k_s(1) = k_s(1)-resolution(1)
|
|
||||||
xi(i,j,3) = 0.0_pReal
|
|
||||||
xi(i,j,2) = real(k_s(2), pReal)/meshdimension(2)
|
|
||||||
xi(i,j,1) = real(k_s(1), pReal)/meshdimension(1)
|
|
||||||
if (any(xi(i,j,:) /= 0.0_pReal)) then
|
|
||||||
do l = 1,2; do m = 1,2
|
|
||||||
xinormdyad(l,m) = xi(i,j, l)*xi(i,j, m)/sum(xi(i,j,:)**2)
|
|
||||||
enddo; enddo
|
|
||||||
else
|
|
||||||
xinormdyad = 0.0_pReal
|
|
||||||
endif
|
|
||||||
temp33_Real = math_mul3333xx33(c0, xinormdyad)
|
|
||||||
temp33_Real = math_inv3x3(temp33_Real)
|
|
||||||
do l=1,3; do m=1,3; do n=1,3; do p=1,3
|
|
||||||
gamma_hat(i,j, l,m,n,p) = - temp33_Real(l,n) * xinormdyad(m,p)
|
|
||||||
! gamma_hat(i,j,k, l,m,n,p) = - 0.5_pReal * temp33_Real(l,n) * xinormdyad(m,p)& ! symmetrization????????
|
|
||||||
! - 0.5_pReal * temp33_Real(m,n) * xinormdyad(l,p)
|
|
||||||
enddo; enddo; enddo; enddo
|
|
||||||
enddo; enddo
|
|
||||||
|
|
||||||
open(539,file='stress-strain.out')
|
|
||||||
! Initialization done
|
|
||||||
|
|
||||||
!*************************************************************
|
|
||||||
!Loop over loadcases defined in the loadcase file
|
|
||||||
do loadcase = 1, N_Loadcases
|
|
||||||
!*************************************************************
|
|
||||||
|
|
||||||
timeinc = bc_timeIncrement(loadcase)/bc_steps(loadcase)
|
|
||||||
guessmode = 0.0_pReal ! change of load case, homogeneous guess for the first step
|
|
||||||
|
|
||||||
mask_defgrad = merge(ones,zeroes,bc_mask(:,:,1,loadcase))
|
|
||||||
mask_stress = merge(ones,zeroes,bc_mask(:,:,2,loadcase))
|
|
||||||
damper = ones/10
|
|
||||||
!*************************************************************
|
|
||||||
! loop oper steps defined in input file for current loadcase
|
|
||||||
do steps = 1, bc_steps(loadcase)
|
|
||||||
!*************************************************************
|
|
||||||
temp33_Real = defgradAim
|
|
||||||
defgradAim = defgradAim & ! update macroscopic displacement gradient (defgrad BC)
|
|
||||||
+ guessmode * mask_stress * (defgradAim - defgradAimOld) &
|
|
||||||
+ math_mul33x33(bc_velocityGrad(:,:,loadcase), defgradAim)*timeinc
|
|
||||||
defgradAimOld = temp33_Real
|
|
||||||
|
|
||||||
do j = 1, resolution(2); do i = 1, resolution(1)
|
|
||||||
temp33_Real = defgrad(i,j,:,:)
|
|
||||||
defgrad(i,j,:,:) = defgrad(i,j,:,:)& ! old fluctuations as guess for new step, no fluctuations for new loadcase
|
|
||||||
+ guessmode * (defgrad(i,j,:,:) - defgradold(i,j,:,:))&
|
|
||||||
+ (1.0_pReal-guessmode) * math_mul33x33(bc_velocityGrad(:,:,loadcase),defgradold(i,j,:,:))*timeinc
|
|
||||||
defgradold(i,j,:,:) = temp33_Real
|
|
||||||
enddo; enddo
|
|
||||||
|
|
||||||
guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase
|
|
||||||
calcmode = 0_pInt ! start calculation of BC fullfillment
|
|
||||||
CPFEM_mode = 1_pInt ! winding forward
|
|
||||||
iter = 0_pInt
|
|
||||||
err_div= 2_pReal * err_div_tol ! go into loop
|
|
||||||
defgradAimCorr = 0.0_pReal ! reset damping calculation
|
|
||||||
damper = damper * 0.9_pReal
|
|
||||||
|
|
||||||
!*************************************************************
|
|
||||||
! convergence loop
|
|
||||||
do while( iter <= itmax .and. &
|
|
||||||
(err_div > err_div_tol .or. &
|
|
||||||
err_stress > err_stress_tol))
|
|
||||||
iter = iter + 1
|
|
||||||
print '(A,I5.5,tr2,A,I5.5)', ' Step = ',steps,'Iteration = ',iter
|
|
||||||
!*************************************************************
|
|
||||||
|
|
||||||
! adjust defgrad to fulfill BCs
|
|
||||||
select case (calcmode)
|
|
||||||
case (0)
|
|
||||||
print *, 'Update Stress Field (constitutive evaluation P(F))'
|
|
||||||
ielem = 0_pInt
|
|
||||||
do j = 1, resolution(2); do i = 1, resolution(1)
|
|
||||||
ielem = ielem + 1
|
|
||||||
call CPFEM_general(3, defgradold(i,j,:,:), defgrad(i,j,:,:),&
|
|
||||||
temperature,timeinc,ielem,1_pInt,&
|
|
||||||
cstress,dsde, pstress, dPdF)
|
|
||||||
enddo; enddo
|
|
||||||
|
|
||||||
ielem = 0_pInt
|
|
||||||
do j = 1, resolution(2); do i = 1, resolution(1)
|
|
||||||
ielem = ielem + 1
|
|
||||||
call CPFEM_general(CPFEM_mode,& ! first element in first iteration retains CPFEM_mode 1,
|
|
||||||
defgradold(i,j,:,:), defgrad(i,j,:,:),& ! others get 2 (saves winding forward effort)
|
|
||||||
temperature,timeinc,ielem,1_pInt,&
|
|
||||||
cstress,dsde, pstress, dPdF)
|
|
||||||
CPFEM_mode = 2_pInt
|
|
||||||
pstress_field(i,j,:,:) = pstress
|
|
||||||
cstress_field(i,j,:,:) = math_mandel6to33(cstress)
|
|
||||||
enddo; enddo
|
|
||||||
|
|
||||||
do m = 1,3; do n = 1,3
|
|
||||||
pstress_av(m,n) = sum(pstress_field(:,:,m,n)) * wgt
|
|
||||||
cstress_av(m,n) = sum(cstress_field(:,:,m,n)) * wgt
|
|
||||||
defgrad_av(m,n) = sum(defgrad(:,:,m,n)) * wgt
|
|
||||||
enddo; enddo
|
|
||||||
|
|
||||||
err_stress = maxval(abs(mask_stress * (cstress_av - bc_stress(:,:,loadcase))))
|
|
||||||
err_stress_tol = maxval(abs(cstress_av))*err_stress_tolrel
|
|
||||||
|
|
||||||
print*, 'Correcting deformation gradient to fullfill BCs'
|
|
||||||
defgradAimCorrPrev = defgradAimCorr
|
|
||||||
defgradAimCorr = -mask_stress * math_mul3333xx33(s0, (mask_stress*(cstress_av - bc_stress(:,:,loadcase))))
|
|
||||||
|
|
||||||
do m=1,3; do n =1,3 ! calculate damper (correction is far to strong)
|
|
||||||
if ( sign(1.0_pReal,defgradAimCorr(m,n))/=sign(1.0_pReal,defgradAimCorrPrev(m,n))) then
|
|
||||||
damper(m,n) = max(0.01_pReal,damper(m,n)*0.8)
|
|
||||||
else
|
|
||||||
damper(m,n) = min(1.0_pReal,damper(m,n) *1.2)
|
|
||||||
endif
|
|
||||||
enddo; enddo
|
|
||||||
defgradAimCorr = mask_Stress*(damper * defgradAimCorr)
|
|
||||||
defgradAim = defgradAim + defgradAimCorr
|
|
||||||
|
|
||||||
do m = 1,3; do n = 1,3
|
|
||||||
defgrad(:,:,m,n) = defgrad(:,:,m,n) + (defgradAim(m,n) - defgrad_av(m,n)) !anticipated target minus current state
|
|
||||||
enddo; enddo
|
|
||||||
err_div = 2 * err_div_tol
|
|
||||||
err_defgrad = maxval(abs(mask_defgrad * (defgrad_av - defgradAim)))
|
|
||||||
print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient: ',defgrad_av(1:3,:)
|
|
||||||
print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress [MPa]: ',cstress_av(1:3,:)/1.e6
|
|
||||||
print '(a,E8.2)', ' error defgrad ',err_defgrad
|
|
||||||
print '(2(a,E8.2))', ' error stress ',err_stress,' Tol. = ', err_stress_tol*0.8
|
|
||||||
if(err_stress < err_stress_tol*0.8) then
|
|
||||||
calcmode = 1
|
|
||||||
endif
|
|
||||||
|
|
||||||
! Using the spectral method to calculate the change of deformation gradient, check divergence of stress field in fourier space
|
|
||||||
case (1)
|
|
||||||
print *, 'Update Stress Field (constitutive evaluation P(F))'
|
|
||||||
ielem = 0_pInt
|
|
||||||
do j = 1, resolution(2); do i = 1, resolution(1)
|
|
||||||
ielem = ielem + 1
|
|
||||||
call CPFEM_general(3, defgradold(i,j,:,:), defgrad(i,j,:,:),&
|
|
||||||
temperature,timeinc,ielem,1_pInt,&
|
|
||||||
cstress,dsde, pstress, dPdF)
|
|
||||||
enddo; enddo
|
|
||||||
|
|
||||||
ielem = 0_pInt
|
|
||||||
do j = 1, resolution(2); do i = 1, resolution(1)
|
|
||||||
ielem = ielem + 1
|
|
||||||
call CPFEM_general(2,&
|
|
||||||
defgradold(i,j,:,:), defgrad(i,j,:,:),&
|
|
||||||
temperature,timeinc,ielem,1_pInt,&
|
|
||||||
cstress,dsde, pstress, dPdF)
|
|
||||||
pstress_field(i,j,:,:) = pstress
|
|
||||||
cstress_field(i,j,:,:) = math_mandel6to33(cstress)
|
|
||||||
enddo; enddo
|
|
||||||
|
|
||||||
do j = 1, resolution(2); do i = 1, resolution(1)
|
|
||||||
tau(i,j,:,:) = cstress_field(i,j,:,:) - math_mul3333xx33(c0, defgrad(i,j,:,:)-math_I3)
|
|
||||||
enddo; enddo
|
|
||||||
|
|
||||||
print *, 'Calculating equilibrium using spectral method'
|
|
||||||
err_div = 0.0_pReal; sigma0 = 0.0_pReal
|
|
||||||
do m = 1,3; do n = 1,3
|
|
||||||
call dfftw_execute_dft(plan_fft(1,m,n), cstress_field(:,:,m,n),workfft(:,:,m,n))
|
|
||||||
if(n==3) sigma0 = max(sigma0, sum(abs(workfft(1,1,m,:)))) ! L infinity Norm of stress tensor
|
|
||||||
enddo; enddo
|
|
||||||
|
|
||||||
do j = 1, resolution(2); do i = 1, resolution(1)
|
|
||||||
err_div = err_div + (maxval(abs(math_mul33x3_complex(workfft(i,j,:,:),xi(i,j,:))))) ! L infinity Norm of div(stress)
|
|
||||||
enddo; enddo
|
|
||||||
err_div = err_div/real(prodnn, pReal)/sigma0 !weighting of error
|
|
||||||
|
|
||||||
do m = 1,3; do n = 1,3
|
|
||||||
call dfftw_execute_dft(plan_fft(2,m,n), tau(:,:,m,n), workfft(:,:,m,n))
|
|
||||||
enddo; enddo
|
|
||||||
|
|
||||||
do j = 1, resolution(2); do i = 1, resolution(1)
|
|
||||||
temp33_Complex = 0.0_pReal
|
|
||||||
do m = 1,3; do n = 1,3
|
|
||||||
temp33_Complex(m,n) = sum(gamma_hat(i,j,m,n,:,:) * workfft(i,j,:,:))
|
|
||||||
enddo; enddo
|
|
||||||
workfft(i,j,:,:) = temp33_Complex(:,:)
|
|
||||||
enddo; enddo
|
|
||||||
workfft(1,1,:,:) = zeroes!????
|
|
||||||
|
|
||||||
do m = 1,3; do n = 1,3
|
|
||||||
call dfftw_execute_dft(plan_fft(3,m,n), workfft(:,:,m,n),ddefgrad(:,:))
|
|
||||||
defgrad(:,:,m,n) = defgrad_av(m,n) + real(ddefgrad, pReal) * wgt
|
|
||||||
pstress_av(m,n) = sum(pstress_field(:,:,m,n))*wgt
|
|
||||||
cstress_av(m,n) = sum(cstress_field(:,:,m,n))*wgt
|
|
||||||
defgrad_av(m,n) = sum(defgrad(:,:,m,n))*wgt
|
|
||||||
defgrad(:,:,m,n) = defgrad(:,:,m,n) + (defgradAim(m,n) - defgrad_av(m,n)) !anticipated target minus current state
|
|
||||||
enddo; enddo
|
|
||||||
|
|
||||||
err_stress = maxval(abs(mask_stress * (cstress_av - bc_stress(:,:,loadcase))))
|
|
||||||
err_stress_tol = maxval(abs(cstress_av))*err_stress_tolrel !accecpt relativ error specified
|
|
||||||
|
|
||||||
print '(2(a,E8.2))', ' error divergence ',err_div,' Tol. = ', err_div_tol
|
|
||||||
print '(2(a,E8.2))', ' error stress ',err_stress,' Tol. = ', err_stress_tol
|
|
||||||
if(err_stress > err_stress_tol .and. err_div < err_div_tol) then ! change to calculation of BCs, reset damper etc.
|
|
||||||
calcmode = 0
|
|
||||||
defgradAimCorr = 0.0_pReal
|
|
||||||
damper = damper * 0.9_pReal
|
|
||||||
endif
|
|
||||||
end select
|
|
||||||
enddo ! end looping when convergency is achieved
|
|
||||||
|
|
||||||
write(539,'(E12.6,a,E12.6)'),defgrad_av(3,3)-1,' ', cstress_av(3,3)
|
|
||||||
print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient: ',defgrad_av(1:3,:)
|
|
||||||
print *, ''
|
|
||||||
print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress [MPa]: ',cstress_av(1:3,:)/1.e6
|
|
||||||
print '(A)', '************************************************************'
|
|
||||||
|
|
||||||
! Postprocessing (gsmh output)
|
|
||||||
|
|
||||||
temp33_Real(1,:) = 0.0_pReal; temp33_Real(1,3) = -(real(resolution(3))/meshdimension(3)) ! start just below origin
|
|
||||||
k=1
|
|
||||||
do j = 1, resolution(2); do i = 1, resolution(1)
|
|
||||||
if((j==1).and.(i==1)) then
|
|
||||||
temp33_Real(1,:) = temp33_Real(1,:) + math_mul33x3(defgrad(i,j,:,:),&
|
|
||||||
(/0.0_pReal,0.0_pReal,(real(resolution(3))/meshdimension(3))/))
|
|
||||||
temp33_Real(2,:) = temp33_Real(1,:)
|
|
||||||
temp33_Real(3,:) = temp33_Real(1,:)
|
|
||||||
displacement(i,j,:) = temp33_Real(1,:)
|
|
||||||
else
|
|
||||||
if(i==1) then
|
|
||||||
temp33_Real(2,:) = temp33_Real(2,:) + math_mul33x3(defgrad(i,j,:,:),&
|
|
||||||
(/0.0_pReal,(real(resolution(2))/meshdimension(2)),0.0_pReal/))
|
|
||||||
temp33_Real(3,:) = temp33_Real(2,:)
|
|
||||||
displacement(i,j,:) = temp33_Real(2,:)
|
|
||||||
else
|
|
||||||
temp33_Real(3,:) = temp33_Real(3,:) + math_mul33x3(defgrad(i,j,:,:),&
|
|
||||||
(/(real(resolution(1))/meshdimension(1)),0.0_pReal,0.0_pReal/))
|
|
||||||
displacement(i,j,:) = temp33_Real(3,:)
|
|
||||||
endif
|
|
||||||
endif
|
|
||||||
enddo; enddo
|
|
||||||
|
|
||||||
write(nrloadcase, *) loadcase; write(nriter, *) iter; write(nrstep, *) steps
|
|
||||||
open(589,file = 'stress' //trim(adjustl(nrloadcase))//'-'//trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh')
|
|
||||||
open(588,file = 'disgrad'//trim(adjustl(nrloadcase))//'-'//trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh')
|
|
||||||
write(589, '(4(A, /), I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', prodnn
|
|
||||||
write(588, '(4(A, /), I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', prodnn
|
|
||||||
|
|
||||||
ielem = 0_pInt
|
|
||||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
|
||||||
ielem = ielem + 1
|
|
||||||
write(589, '(I10, 3(tr2, E12.6))'), ielem, displacement(i,j,:) !for deformed configuration
|
|
||||||
write(588, '(I10, 3(tr2, E12.6))'), ielem, displacement(i,j,:)
|
|
||||||
! write(589, '(4(I10,tr2))'), ielem, i-1,j-1,k-1 !for undeformed configuration
|
|
||||||
! write(588, '(4(I10,tr2))'), ielem, i-1,j-1,k-1
|
|
||||||
enddo; enddo; enddo
|
|
||||||
|
|
||||||
write(589, '(2(A, /), I10)'), '$EndNodes', '$Elements', prodnn
|
|
||||||
write(588, '(2(A, /), I10)'), '$EndNodes', '$Elements', prodnn
|
|
||||||
|
|
||||||
do i = 1, prodnn
|
|
||||||
write(589, '(I10, A, I10)'), i, ' 15 2 1 2', i
|
|
||||||
write(588, '(I10, A, I10)'), i, ' 15 2 1 2', i
|
|
||||||
enddo
|
|
||||||
|
|
||||||
write(589, '(A)'), '$EndElements'
|
|
||||||
write(588, '(A)'), '$EndElements'
|
|
||||||
write(589, '(8(A, /), I10)'), '$NodeData', '1','"'//trim(adjustl('stress'//trim(adjustl(nrloadcase))//'-'//&
|
|
||||||
trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh'))//'"','1','0.0', '3', '0', '9', prodnn
|
|
||||||
write(588, '(8(A, /), I10)'), '$NodeData', '1','"'//trim(adjustl('disgrad'//trim(adjustl(nrloadcase))//'-'//&
|
|
||||||
trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh'))//'"','1','0.0', '3', '0', '9', prodnn
|
|
||||||
ielem = 0_pInt
|
|
||||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
|
||||||
ielem = ielem + 1
|
|
||||||
write(589, '(i10, 9(tr2, E14.8))'), ielem, cstress_field(i,j,:,:)
|
|
||||||
write(588, '(i10, 9(tr2, E14.8))'), ielem, defgrad(i,j,:,:) - math_I3
|
|
||||||
enddo; enddo; enddo
|
|
||||||
|
|
||||||
write(589, *), '$EndNodeData'
|
|
||||||
write(588, *), '$EndNodeData'
|
|
||||||
close(589); close(588)
|
|
||||||
enddo ! end looping over steps in current loadcase
|
|
||||||
enddo ! end looping over loadcases
|
|
||||||
close(539)
|
|
||||||
|
|
||||||
do i=1,3; do m = 1,3; do n = 1,3
|
|
||||||
call dfftw_destroy_plan(plan_fft(i,m,n))
|
|
||||||
enddo; enddo; enddo
|
|
||||||
|
|
||||||
end program DAMASK_spectral
|
|
||||||
|
|
||||||
!********************************************************************
|
|
||||||
! quit subroutine to satisfy IO_error
|
|
||||||
!
|
|
||||||
!********************************************************************
|
|
||||||
subroutine quit(id)
|
|
||||||
use prec
|
|
||||||
implicit none
|
|
||||||
|
|
||||||
integer(pInt) id
|
|
||||||
|
|
||||||
stop
|
|
||||||
end subroutine
|
|
||||||
Loading…
Reference in New Issue