improved AL solver, now using guesses for P(x) to improve performance. Changes (and whole solver) still experimental
This commit is contained in:
Martin Diehl
parent
91a70b0fb3
commit
990f547091
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@ -111,11 +111,11 @@ program DAMASK_spectral_AL
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!--------------------------------------------------------------------------------------------------
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! stress, stiffness and compliance average etc.
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real(pReal), dimension(3,3) :: P_av = 0.0_pReal, P_star_av = 0.0_pReal, P, &
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real(pReal), dimension(3,3) :: P_star_av = 0.0_pReal, &
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F_aim = math_I3, F_aim_lastInc = math_I3, lambda_av, &
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mask_stress, mask_defgrad, deltaF, F_star_av, &
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F_aim_lab ! quantities rotated to other coordinate system
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real(pReal), dimension(3,3,3,3) :: dPdF, C_inc0, C=0.0_pReal, S_lastInc, C_lastInc ! stiffness and compliance
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real(pReal), dimension(3,3,3,3) :: C_inc0, C=0.0_pReal, S_lastInc, C_lastInc ! stiffness and compliance
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real(pReal), dimension(6) :: sigma ! cauchy stress
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real(pReal), dimension(6,6) :: dsde ! small strain stiffness
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real(pReal), dimension(9,9) :: s_prev99, c_prev99 ! compliance and stiffness in matrix notation
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@ -127,7 +127,8 @@ program DAMASK_spectral_AL
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type(C_PTR) :: tensorField ! fields in real an fourier space
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real(pReal), dimension(:,:,:,:,:), pointer :: lambda_real, F_real ! fields in real space (pointer)
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complex(pReal), dimension(:,:,:,:,:), pointer :: lambda_fourier, F_fourier ! fields in fourier space (pointer)
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real(pReal), dimension(:,:,:,:,:), allocatable :: F_lastInc, F_star, lambda
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real(pReal), dimension(:,:,:,:,:), allocatable :: F_lastInc, F_star, lambda, P, F_star_lastIter
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real(pReal), dimension(:,:,:,:,:,:,:), allocatable :: dPdF
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real(pReal), dimension(:,:,:,:), allocatable :: coordinates
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real(pReal), dimension(:,:,:), allocatable :: temperature
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@ -142,14 +143,15 @@ program DAMASK_spectral_AL
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!--------------------------------------------------------------------------------------------------
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! loop variables, convergence etc.
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real(pReal) :: time = 0.0_pReal, time0 = 0.0_pReal, timeinc = 1.0_pReal, timeinc_old = 0.0_pReal ! elapsed time, begin of interval, time interval
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real(pReal) :: guessmode, err_stress, err_stress_tol, err_f, err_p, err_crit, err_f_point, pstress_av_L2, err_div_rms, err_div
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real(pReal) :: guessmode, err_stress, err_stress_tol, err_f, err_p, err_crit, &
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err_f_point, err_p_point, pstress_av_L2, err_div_rms, err_div
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real(pReal), dimension(3,3), parameter :: ones = 1.0_pReal, zeroes = 0.0_pReal
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complex(pReal), dimension(3,3) :: temp33_Complex
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real(pReal), dimension(3,3) :: temp33_Real
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integer(pInt) :: i, j, k, l, u, v, w, errorID = 0_pInt, ierr
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integer(pInt) :: N_Loadcases, loadcase, inc, iter, ielem, CPFEM_mode, &
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integer(pInt) :: N_Loadcases, loadcase, inc, iter, ielem, CPFEM_mode, guesses, guessmax=10_pInt,&
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totalIncsCounter = 0_pInt,notConvergedCounter = 0_pInt, convergedCounter = 0_pInt
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logical :: errmatinv
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logical :: errmatinv, callCPFEM
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character(len=6) :: loadcase_string
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!--------------------------------------------------------------------------------------------------
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@ -196,8 +198,6 @@ program DAMASK_spectral_AL
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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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!if (N_Loadcases>9000_pInt) stop !discuss with Philip, stop code trouble. suggesting warning
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allocate (bc(N_Loadcases))
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!--------------------------------------------------------------------------------------------------
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@ -416,7 +416,10 @@ program DAMASK_spectral_AL
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!--------------------------------------------------------------------------------------------------
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! allocate more memory
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allocate (P ( res(1), res(2),res(3),3,3), source = 0.0_pReal)
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allocate (dPdF ( res(1), res(2),res(3),3,3,3,3), source = 0.0_pReal)
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allocate (F_star ( res(1), res(2),res(3),3,3), source = 0.0_pReal)
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allocate (F_star_lastIter ( res(1), res(2),res(3),3,3), source = 0.0_pReal)
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allocate (F_lastInc ( res(1), res(2),res(3),3,3), source = 0.0_pReal)
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allocate (lambda ( 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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@ -496,15 +499,15 @@ program DAMASK_spectral_AL
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F_real(i,j,k,1:3,1:3) = math_I3; F_lastInc(i,j,k,1:3,1:3) = math_I3
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coordinates(i,j,k,1:3) = geomdim/real(res * [i,j,k], pReal) - geomdim/real(2_pInt*res,pReal)
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call CPFEM_general(3_pInt,coordinates(i,j,k,1:3),math_I3,math_I3,temperature(i,j,k),&
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0.0_pReal,ielem,1_pInt,sigma,dsde,temp33_Real ,dPdF)
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0.0_pReal,ielem,1_pInt,sigma,dsde,temp33_Real ,dPdF(i,j,k,1:3,1:3,1:3,1:3))
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enddo; enddo; enddo
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ielem = 0_pInt
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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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ielem = ielem + 1_pInt
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call CPFEM_general(2_pInt,coordinates(i,j,k,1:3),math_I3,math_I3,temperature(i,j,k),&
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0.0_pReal,ielem,1_pInt,sigma,dsde,temp33_Real ,dPdF)
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C = C + dPdF
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0.0_pReal,ielem,1_pInt,sigma,dsde,temp33_Real ,dPdF(i,j,k,1:3,1:3,1:3,1:3))
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C = C + dPdF(i,j,k,1:3,1:3,1:3,1:3)
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enddo; enddo; enddo
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C_inc0 = C * wgt ! linear reference material stiffness
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@ -614,14 +617,6 @@ program DAMASK_spectral_AL
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F_aim_lastInc = temp33_Real
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F_star_av = F_aim
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!--------------------------------------------------------------------------------------------------
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! Initialize / Update lambda to useful value
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temp33_real = math_mul3333xx33(C*wgt, F_aim-F_aim_lastInc)
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P_av = P_av + temp33_real
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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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lambda(i,j,k,1:3,1:3) = lambda(i,j,k,1:3,1:3) + temp33_real
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enddo; enddo; enddo
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!--------------------------------------------------------------------------------------------------
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! update local deformation gradient
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deltaF = math_rotate_backward33(deltaF,bc(loadcase)%rotation)
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@ -634,6 +629,16 @@ program DAMASK_spectral_AL
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F_lastInc(i,j,k,1:3,1:3) = temp33_Real
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enddo; enddo; enddo
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!--------------------------------------------------------------------------------------------------
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! Initialize / Update lambda to useful value
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P_star_av = P_star_av + math_mul3333xx33(C*wgt, F_aim-F_aim_lastInc)
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lambda_av = 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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lambda(i,j,k,1:3,1:3) = P(i,j,k,1:3,1:3) + math_mul3333xx33(dPdF(i,j,k,1:3,1:3,1:3,1:3), &
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F_real(i,j,k,1:3,1:3)-F_lastInc(i,j,k,1:3,1:3))
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lambda_av = lambda_av + lambda(i,j,k,1:3,1:3)
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enddo; enddo; enddo
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lambda_av=lambda_av*wgt
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!--------------------------------------------------------------------------------------------------
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!Initialize pointwise data for AL scheme: ToDo: good choice?
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@ -678,13 +683,15 @@ program DAMASK_spectral_AL
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guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase
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CPFEM_mode = 1_pInt ! winding forward
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iter = 0_pInt
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err_crit = huge(err_div_tol) ! go into loop
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err_crit = huge(1.0_pReal) ! go into loop
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callCPFEM=.true.
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guessmax = 13
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guesses = 0
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!##################################################################################################
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! convergence loop (looping over iterations)
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!##################################################################################################
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do while((iter < itmax .and. (err_div > err_div_tol .or. err_stress > err_stress_tol .or. err_crit > 5.0e-4))&
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.or. iter < itmin)
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do while((iter < itmax .and. (err_crit > 1.0_pReal)) .or. iter < itmin)
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iter = iter + 1_pInt
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!--------------------------------------------------------------------------------------------------
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@ -697,11 +704,9 @@ program DAMASK_spectral_AL
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!--------------------------------------------------------------------------------------------------
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! stress BC handling
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if(size_reduced > 0_pInt) then ! calculate stress BC if applied
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err_stress = maxval(abs(mask_stress * (P_av - bc(loadcase)%P))) ! maximum deviaton (tensor norm not applicable)
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write (*,'(a,/,3(3(es14.7,1x)/))',advance='no') 'stress deviation =',&
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math_transpose33(mask_stress * (P_av - bc(loadcase)%P))/1.0e6_pReal
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F_aim = F_aim + math_mul3333xx33(S_lastInc,bc(loadcase)%P- P_av)
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err_stress_tol = maxval(abs(P_av)) * err_stress_tolrel ! don't use any tensor norm because the comparison should be coherent
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err_stress = maxval(abs(mask_stress * (lambda_av - bc(loadcase)%P))) ! maximum deviaton (tensor norm not applicable)
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F_aim = F_aim + math_mul3333xx33(S_lastInc,bc(loadcase)%P- lambda_av)
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err_stress_tol = maxval(abs(lambda_av)) * err_stress_tolrel ! don't use any tensor norm because the comparison should be coherent
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else
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err_stress_tol = + huge(1.0_pReal)
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endif
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@ -746,6 +751,10 @@ program DAMASK_spectral_AL
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enddo; enddo
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err_div_RMS = sqrt(err_div_RMS)*wgt
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! if (err_div < err_div_RMS/pstress_av_L2 .and. guessmax<0) then
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! print*, 'increasing div, stopping calc'
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! iter = huge(1_pInt)
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! endif
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err_div = err_div_RMS/pstress_av_L2
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!--------------------------------------------------------------------------------------------------
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! using gamma operator to update F
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@ -783,44 +792,69 @@ program DAMASK_spectral_AL
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!--------------------------------------------------------------------------------------------------
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!
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print '(a)', '... update stress field P(F*) and update F* and λ..........................'
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ielem = 0_pInt
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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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ielem = ielem + 1_pInt
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call CPFEM_general(3_pInt,& ! collect cycle
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coordinates(i,j,k,1:3), F_lastInc(i,j,k,1:3,1:3),&
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F_star(i,j,k,1:3,1:3),temperature(i,j,k),timeinc,ielem,1_pInt,&
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sigma,dsde, P, dPdF)
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enddo; enddo; enddo
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if(callCPFEM) then
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print '(a)', '... calling CPFEM to update P(F*) and F*.........................'
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ielem = 0_pInt
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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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ielem = ielem + 1_pInt
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call CPFEM_general(3_pInt,& ! collect cycle
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coordinates(i,j,k,1:3), F_lastInc(i,j,k,1:3,1:3),&
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F_star(i,j,k,1:3,1:3),temperature(i,j,k),timeinc,ielem,1_pInt,&
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sigma,dsde, P(i,j,k,1:3,1:3), dPdF(i,j,k,1:3,1:3,1:3,1:3))
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enddo; enddo; enddo
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ielem = 0_pInt
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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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ielem = ielem + 1_pInt
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call CPFEM_general(CPFEM_mode,&
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coordinates(i,j,k,1:3), F_lastInc(i,j,k,1:3,1:3),&
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F_star(i,j,k,1:3,1:3),temperature(i,j,k),timeinc,ielem,1_pInt,&
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sigma,dsde, P(i,j,k,1:3,1:3), dPdF(i,j,k,1:3,1:3,1:3,1:3))
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CPFEM_mode = 2_pInt ! winding forward
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temp33_Real = lambda(i,j,k,1:3,1:3) - P(i,j,k,1:3,1:3) &
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+ math_mul3333xx33(C_inc0,F_real(i,j,k,1:3,1:3)- F_star(i,j,k,1:3,1:3))
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F_star(i,j,k,1:3,1:3) = F_star(i,j,k,1:3,1:3) + math_mul3333xx33(math_invSym3333(&
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C_inc0 + dPdF(i,j,k,1:3,1:3,1:3,1:3)), temp33_Real)
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enddo; enddo; enddo
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F_star_lastIter = F_star
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else
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guesses = guesses +1_pInt
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print '(a)', '... .linear solution.P(F*) and update F*........................'
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print*, '... linear approximation ', guesses, ' of ', guessmax, ' for P(F*) and F*'
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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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temp33_Real = lambda(i,j,k,1:3,1:3) - (P(i,j,k,1:3,1:3) + math_mul3333xx33(dPdF(i,j,k,1:3,1:3,1:3,1:3),&
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F_star(i,j,k,1:3,1:3) -F_star_lastIter(i,j,k,1:3,1:3)))&
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+ math_mul3333xx33(C_inc0,F_real(i,j,k,1:3,1:3)- F_star(i,j,k,1:3,1:3))
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F_star(i,j,k,1:3,1:3) = F_star(i,j,k,1:3,1:3) + math_mul3333xx33(math_invSym3333(&
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C_inc0 + dPdF(i,j,k,1:3,1:3,1:3,1:3)), temp33_Real)
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enddo; enddo; enddo
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endif
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print '(a)', '... update λ..........................'
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ielem = 0_pInt
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err_f = 0.0_pReal
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err_f_point = 0.0_pReal
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err_p = 0.0_pReal
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err_p_point = 0.0_pReal
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F_star_av = 0.0_pReal
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P_star_av = 0.0_pReal
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lambda_av = 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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ielem = ielem + 1_pInt
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call CPFEM_general(CPFEM_mode,&
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coordinates(i,j,k,1:3),F_lastInc(i,j,k,1:3,1:3), &
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F_star(i,j,k,1:3,1:3),temperature(i,j,k),timeinc,ielem,1_pInt,&
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sigma,dsde, P,dPdF)
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CPFEM_mode = 2_pInt ! winding forward
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temp33_Real = lambda(i,j,k,1:3,1:3) - P &
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+ math_mul3333xx33(C_inc0,F_real(i,j,k,1:3,1:3)- F_star(i,j,k,1:3,1:3))
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F_star(i,j,k,1:3,1:3) = F_star(i,j,k,1:3,1:3) + &
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math_mul3333xx33(math_invSym3333(C_inc0 + dPdF), temp33_Real)
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lambda(i,j,k,1:3,1:3) = lambda(i,j,k,1:3,1:3) + math_mul3333xx33(C_inc0,F_real(i,j,k,1:3,1:3) &
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- F_star(i,j,k,1:3,1:3))
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F_star_av = F_star_av + F_star(i,j,k,1:3,1:3)
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lambda_av = lambda_av + lambda(i,j,k,1:3,1:3)
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P_star_av = P_star_av + P
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P_star_av = P_star_av + P(i,j,k,1:3,1:3)
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temp33_real = F_star(i,j,k,1:3,1:3) - F_real(i,j,k,1:3,1:3)
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err_f_point = max(err_f_point, maxval(temp33_real))
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err_f_point = max(err_f_point, maxval(abs(temp33_real)))
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err_f = max(err_f, sqrt(math_mul33xx33(temp33_real,temp33_real)))
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temp33_real = lambda(i,j,k,1:3,1:3) - P
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temp33_real = lambda(i,j,k,1:3,1:3) - (P(i,j,k,1:3,1:3) + math_mul3333xx33(dPdF(i,j,k,1:3,1:3,1:3,1:3),&
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F_star(i,j,k,1:3,1:3) -F_star_lastIter(i,j,k,1:3,1:3)))
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err_p_point = max(err_p_point, maxval(abs(temp33_real)))
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err_p = max(err_p, sqrt(math_mul33xx33(temp33_real,temp33_real)))
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enddo; enddo; enddo
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@ -833,52 +867,34 @@ program DAMASK_spectral_AL
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lambda_av = lambda_av *wgt
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write (*,'(a,/,3(3(es14.7,1x)/))',advance='no') 'λ / GPa =',&
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math_transpose33(lambda_av) /1.e6_pReal
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! print '(a)', '... update stress field P(F) .....................................'
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! ielem = 0_pInt
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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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! ielem = ielem + 1_pInt
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! call CPFEM_general(3_pInt,& ! collect cycle
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! coordinates(i,j,k,1:3), F_lastInc(i,j,k,1:3,1:3),&
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! F_real(i,j,k,1:3,1:3),temperature(i,j,k),timeinc,ielem,1_pInt,&
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! sigma,dsde,P,dPdF)
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! enddo; enddo; enddo
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! ielem = 0_pInt
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! err_p = 0.0_pReal
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! P_av =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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! ielem = ielem + 1_pInt
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! call CPFEM_general(2_pInt,&
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! coordinates(i,j,k,1:3),F_lastInc(i,j,k,1:3,1:3), &
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! F_real(i,j,k,1:3,1:3),temperature(i,j,k),timeinc,ielem,1_pInt,&
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! sigma,dsde,P,dPdF)
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! P_av = P_av + P
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! temp33_real = lambda(i,j,k,1:3,1:3) - P
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! err_p = max(err_p, sqrt(math_mul33xx33(temp33_real,temp33_real)))
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! enddo; enddo; enddo
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||||
|
||||
! P_av = math_rotate_forward33(P_av * wgt,bc(loadcase)%rotation)
|
||||
! write (*,'(a,/,3(3(es14.7,1x)/))',advance='no') 'P(F) / GPa =',&
|
||||
! math_transpose33(P_av)/1.e6_pReal
|
||||
! write (*,'(a,/,3(3(es14.7,1x)/))',advance='no') 'P(F*) - P(F) =',&
|
||||
! math_transpose33(P_star_av - P_av)
|
||||
P_av = lambda_av
|
||||
|
||||
err_f = err_f/sqrt(math_mul33xx33(F_star_av,F_star_av))
|
||||
err_p = err_p/sqrt(math_mul33xx33(P_av,P_av))
|
||||
write(6,'(a,es14.7,1x)') 'error F', err_f
|
||||
write(6,'(a,es14.7,1x)') 'max abs err F', err_f_point
|
||||
write(6,'(a,es14.7,1x)') 'error P', err_p
|
||||
write(6,'(a,es11.4)') 'error divergence FT RMS = ',err_div_RMS
|
||||
write(6,'(a,es11.4)') 'error div = ',err_div
|
||||
write(6,'(a,es11.4)') 'error stress = ',err_stress/err_stress_tol
|
||||
|
||||
err_crit = max(err_p, err_f)
|
||||
err_p = err_p/sqrt(math_mul33xx33(P_star_av,P_star_av))
|
||||
|
||||
write(6,'(a,es14.7,es14.7)') 'error F', err_f/1e-4, err_f
|
||||
write(6,'(a,es14.7,es14.7)') 'error P', err_p/1e-3, err_p
|
||||
write(6,'(a,es14.7,es14.7)') 'error stress = ',err_stress/err_stress_tol, err_stress
|
||||
write(6,'(a,es14.7,es14.7)') 'error divergence = ',err_div/err_div_tol, err_div
|
||||
write(6,*) ' '
|
||||
write(6,'(a,es14.7)') 'error divergence FT RMS = ',err_div_RMS
|
||||
write(6,'(a,es14.7)') 'max abs err F', err_f_point
|
||||
write(6,'(a,es14.7)') 'max abs err P', err_p_point
|
||||
err_crit = max(err_p/1e-3, err_f/1e-4,err_div/err_div_tol,err_stress/err_stress_tol)
|
||||
print*, 'critical error', err_crit
|
||||
|
||||
if (.not. callCPFEM) then
|
||||
if(err_crit < 1.0_pReal .or. guesses >= guessmax) callCPFEM = .true.
|
||||
err_crit =huge(1.0_pReal)
|
||||
else
|
||||
if(guessmax > 1 .and. iter>2) callCPFEM=.false.
|
||||
guesses = 0_pInt
|
||||
guessmax = guessmax -1
|
||||
endif
|
||||
|
||||
enddo ! end looping when convergency is achieved
|
||||
print '(a)', ''
|
||||
print '(a)', '=================================================================='
|
||||
if(err_crit > err_div_tol .or. err_stress > err_stress_tol) then
|
||||
if(err_crit > 1.0_pReal) then
|
||||
print '(A,I5.5,A)', 'increment ', totalIncsCounter, ' NOT converged'
|
||||
notConvergedCounter = notConvergedCounter + 1_pInt
|
||||
else
|
||||
|
|
@ -914,7 +930,7 @@ program DAMASK_spectral_AL
|
|||
notConvergedCounter + convergedCounter, ' increments did not converge!'
|
||||
close(538)
|
||||
call fftw_destroy_plan(plan_lambda); call fftw_destroy_plan(plan_correction)
|
||||
call quit(0_pInt)
|
||||
call quit(1_pInt)
|
||||
end program DAMASK_spectral_AL
|
||||
|
||||
!********************************************************************
|
||||
|
|
@ -927,11 +943,21 @@ subroutine quit(stop_id)
|
|||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: stop_id
|
||||
|
||||
if (stop_id == 0_pInt) stop 0 ! normal termination
|
||||
if (stop_id <= 9000_pInt) then ! trigger regridding
|
||||
write(6,'(i4)') stop_id
|
||||
stop 1
|
||||
integer, dimension(8) :: dateAndTime ! type default integer
|
||||
|
||||
call date_and_time(values = dateAndTime)
|
||||
write(6,'(/,a)') 'DAMASK_spectral_AL terminated on:'
|
||||
write(6,'(a,2(i2.2,a),i4.4)') 'Date: ',dateAndTime(3),'/',&
|
||||
dateAndTime(2),'/',&
|
||||
dateAndTime(1)
|
||||
write(6,'(a,2(i2.2,a),i2.2)') 'Time: ',dateAndTime(5),':',&
|
||||
dateAndTime(6),':',&
|
||||
dateAndTime(7)
|
||||
write(6,'(/,a)') 'Exit code:'
|
||||
if (stop_id == 1_pInt) stop 1 ! normal termination
|
||||
if (stop_id <= 0_pInt) then ! trigger regridding
|
||||
write(6,'(a,i6)') 'restart a', stop_id*(-1_pInt)
|
||||
stop 2
|
||||
endif
|
||||
stop 'abnormal termination of DAMASK_spectral'
|
||||
stop 0 ! error
|
||||
end subroutine
|
||||
|
|
|
|||
Loading…
Reference in New Issue