corrected number of incs reported in spectralOut-file
inc 0 contains undeformed results plus lots of typographic polishing
This commit is contained in:
Philip Eisenlohr
parent
7c7c929455
commit
51763ed93e
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@ -54,8 +54,8 @@ program mpie_spectral
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!$ use OMP_LIB ! the openMP function library
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implicit none
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include 'fftw3.f' !header file for fftw3 (declaring variables). Library files are also needed
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! compile FFTW 3.2.2 with ./configure --enable-threads
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include 'fftw3.f' ! header file for fftw3 (declaring variables). Library files are also needed
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! compile FFTW 3.2.2 with ./configure --enable-threads
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! variables to read from loadcase and geom file
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real(pReal), dimension(9) :: valuevector ! stores information temporarily from loadcase file
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integer(pInt), parameter :: maxNchunksInput = 24 ! 4 identifiers, 18 values for the matrices and 2 scalars
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@ -196,10 +196,10 @@ program mpie_spectral
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200 close(unit)
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do i = 1, N_Loadcases
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if (any(bc_mask(:,:,1,i) == bc_mask(:,:,2,i))) call IO_error(46,i) ! bc_mask consistency
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if (bc_timeIncrement(i) < 0.0_pReal) call IO_error(47,i) ! negative time increment forbidden
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if (bc_steps(i) < 1_pInt) call IO_error(48,i) ! non-positive increments requested
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do i = 1, N_Loadcases ! consistency checks
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if (any(bc_mask(:,:,1,i) == bc_mask(:,:,2,i))) call IO_error(46,i) ! exclisive or masking only
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if (bc_timeIncrement(i) < 0.0_pReal) call IO_error(47,i) ! negative time increment
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if (bc_steps(i) < 1_pInt) call IO_error(48,i) ! non-positive increment count
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print '(a,/,3(3(f12.6,x)/))','L:' ,math_transpose3x3(bc_velocityGrad(:,:,i))
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print '(a,/,3(3(f12.6,x)/))','bc_stress:',math_transpose3x3(bc_stress(:,:,i))
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print '(a,/,3(3(l,x)/))', 'bc_mask for velocitygrad:',transpose(bc_mask(:,:,1,i))
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@ -263,16 +263,16 @@ program mpie_spectral
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allocate (defgradold(resolution(1),resolution(2),resolution(3),3,3)); defgradold = 0.0_pReal
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wgt = 1.0_pReal/real(resolution(1)*resolution(2)*resolution(3), pReal)
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defgradAim = math_I3
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defgradAim = math_I3
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defgradAimOld = math_I3
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defgrad_av = math_I3
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defgrad_av = math_I3
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! Initialization of CPFEM_general (= constitutive law) and of deformation gradient field
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call CPFEM_initAll(temperature,1_pInt,1_pInt)
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ielem = 0_pInt
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c066 = 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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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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ielem = ielem +1
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call CPFEM_general(2,math_I3,math_I3,temperature,0.0_pReal,ielem,1_pInt,cstress,dsde,pstress,dPdF)
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@ -281,12 +281,12 @@ program mpie_spectral
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c066 = c066 * wgt
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c0 = math_mandel66to3333(c066)
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call math_invert(6, c066, s066,i, errmatinv)
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if(errmatinv) call IO_error(800) !Matrix inversion error
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if(errmatinv) call IO_error(800) ! Matrix inversion error
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s0 = math_mandel66to3333(s066)
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if(memory_efficient) then ! allocate just single fourth order tensor
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if(memory_efficient) then ! allocate just single fourth order tensor
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allocate (gamma_hat(1,1,1,3,3,3,3)); gamma_hat = 0.0_pReal
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else ! precalculation of gamma_hat field
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else ! precalculation of gamma_hat field
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allocate (gamma_hat(resolution(1)/2+1,resolution(2),resolution(3),3,3,3,3)); gamma_hat = 0.0_pReal
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do k = 1, resolution(3)
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k_s(3) = k-1
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@ -296,13 +296,13 @@ program mpie_spectral
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if(j > resolution(2)/2+1) k_s(2) = k_s(2)-resolution(2)
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do i = 1, resolution(1)/2+1
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k_s(1) = i-1
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xi(3) = 0.0_pReal !for the 2D case
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if(resolution(3) > 1) xi(3) = real(k_s(3), pReal)/geomdimension(3) !3D case
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xi(3) = 0.0_pReal ! for the 2D case
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if(resolution(3) > 1) xi(3) = real(k_s(3), pReal)/geomdimension(3) ! 3D case
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xi(2) = real(k_s(2), pReal)/geomdimension(2)
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xi(1) = real(k_s(1), pReal)/geomdimension(1)
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if (any(xi /= 0.0_pReal)) then
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do l = 1,3; do m = 1,3
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xinormdyad(l,m) = xi(l)*xi(m)/sum(xi**2) ! Unit sphere, unit vectors in Fourier space
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xinormdyad(l,m) = xi(l)*xi(m)/sum(xi**2) ! unit sphere, unit vectors in Fourier space
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enddo; enddo
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temp33_Real = math_inv3x3(math_mul3333xx33(c0, xinormdyad))
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else
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@ -317,8 +317,8 @@ program mpie_spectral
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endif
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! calculate xi for the calculation of divergence in Fourier space (central frequency)
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xi_central(3) = 0.0_pReal !2D case
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if(resolution(3) > 1) xi_central(3) = real(resolution(3)/2, pReal)/geomdimension(3) !3D case
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xi_central(3) = 0.0_pReal ! 2D case
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if(resolution(3) > 1) xi_central(3) = real(resolution(3)/2, pReal)/geomdimension(3) ! 3D case
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xi_central(2) = real(resolution(2)/2, pReal)/geomdimension(2)
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xi_central(1) = real(resolution(1)/2, pReal)/geomdimension(1)
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@ -344,14 +344,13 @@ program mpie_spectral
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write(538), 'resolution',resolution
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write(538), 'dimension',geomdimension
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write(538), 'materialpoint_sizeResults', materialpoint_sizeResults
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write(538), 'increments', sum(bc_steps)
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write(538), 'increments', sum(bc_steps+1) ! +1 to store initial situation
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write(538), 'eoh'
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write(538) materialpoint_results(:,1,:)
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write(538) materialpoint_results(:,1,:) !to be conform with t16 Marc format
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write(538) materialpoint_results(:,1,:) ! initial (non-deformed) results
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! Initialization done
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!*************************************************************
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!Loop over loadcases defined in the loadcase file
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! Loop over loadcases defined in the loadcase file
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do loadcase = 1, N_Loadcases
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!*************************************************************
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@ -374,7 +373,7 @@ program mpie_spectral
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do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
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temp33_Real = defgrad(i,j,k,:,:)
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defgrad(i,j,k,:,:) = defgrad(i,j,k,:,:)& ! old fluctuations as guess for new step, no fluctuations for new loadcase
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+ guessmode * (defgrad(i,j,k,:,:) - defgradold(i,j,k,:,:))&
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+ guessmode * (defgrad(i,j,k,:,:) - defgradold(i,j,k,:,:))&
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+ (1.0_pReal-guessmode) * math_mul33x33(bc_velocityGrad(:,:,loadcase),defgradold(i,j,k,:,:))*timeinc
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defgradold(i,j,k,:,:) = temp33_Real
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enddo; enddo; enddo
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@ -393,10 +392,10 @@ program mpie_spectral
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!*************************************************************
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! convergence loop
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do while(iter < itmax .and. &
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do while(iter < itmax .and. &
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(err_div > err_div_tol .or. &
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err_stress > err_stress_tol .or. &
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err_defgrad > err_defgrad_tol))
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err_defgrad > err_defgrad_tol))
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iter = iter + 1_pInt
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print*, ' '
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print '(3(A,I5.5,tr2))', ' Loadcase = ',loadcase, ' Step = ',steps,'Iteration = ',iter
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@ -405,9 +404,9 @@ program mpie_spectral
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!*************************************************************
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! adjust defgrad to fulfill BCs
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select case (calcmode)
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case (0)
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print *, 'Update Stress Field (constitutive evaluation P(F))'
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select case (calcmode)
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case (0)
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print *, 'Update Stress Field (constitutive evaluation P(F))'
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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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ielem = ielem + 1
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@ -425,17 +424,17 @@ program mpie_spectral
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cstress,dsde, pstress, dPdF)
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CPFEM_mode = 2_pInt
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workfft(i,j,k,:,:) = pstress
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cstress_av = cstress_av + math_mandel6to33(cstress)
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cstress_av = cstress_av + math_mandel6to33(cstress)
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enddo; enddo; enddo
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cstress_av = cstress_av * wgt
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do m = 1,3; do n = 1,3
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pstress_av(m,n) = sum(workfft(1:resolution(1),:,:,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(:,:,:,m,n)) * wgt
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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_tol = maxval(abs(pstress_av))*err_stress_tolrel
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err_stress_tol = maxval(abs(pstress_av))*err_stress_tolrel
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print*, 'Correcting deformation gradient to fullfill BCs'
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defgradAimCorrPrev = defgradAimCorr
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@ -449,22 +448,22 @@ program mpie_spectral
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endif
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enddo; enddo
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defgradAimCorr = mask_Stress*(damper * defgradAimCorr)
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defgradAim = defgradAim + defgradAimCorr
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defgradAim = defgradAim + defgradAimCorr
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do m = 1,3; do n = 1,3
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defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (defgradAim(m,n) - defgrad_av(m,n)) !anticipated target minus current state
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do m = 1,3; do n = 1,3
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defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (defgradAim(m,n) - defgrad_av(m,n)) ! anticipated target minus current state
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enddo; enddo
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err_div = 2 * err_div_tol
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err_defgrad = maxval(abs(mask_defgrad * (defgrad_av - defgradAim)))
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print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient:',math_transpose3x3(defgrad_av)
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print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress / MPa: ' ,math_transpose3x3(cstress_av)/1.e6
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print '(2(a,E8.2))', ' error stress: ',err_stress, ' Tol. = ', err_stress_tol
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print '(2(a,E8.2))', ' error deformation gradient: ',err_defgrad,' Tol. = ', err_defgrad_tol*0.8
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err_div = 2 * err_div_tol
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err_defgrad = maxval(abs(mask_defgrad * (defgrad_av - defgradAim)))
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print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient:',math_transpose3x3(defgrad_av)
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print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress / MPa: ' ,math_transpose3x3(cstress_av)/1.e6
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print '(2(a,E8.2))', ' error stress: ',err_stress, ' Tol. = ', err_stress_tol
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print '(2(a,E8.2))', ' error deformation gradient: ',err_defgrad,' Tol. = ', err_defgrad_tol*0.8
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if(err_stress < err_stress_tol*0.8) then
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calcmode = 1_pInt
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endif
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! Using the spectral method to calculate the change of deformation gradient, check divergence of stress field in fourier space
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! Using the spectral method to calculate the change of deformation gradient, check divergence of stress field in fourier space
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case (1)
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print *, 'Update Stress Field (constitutive evaluation P(F))'
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ielem = 0_pInt
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@ -477,7 +476,7 @@ program mpie_spectral
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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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ielem = ielem + 1_pInt
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call CPFEM_general(CPFEM_mode,& ! first element in first iteration retains CPFEM_mode 1,
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call CPFEM_general(CPFEM_mode,& ! first element in first iteration retains CPFEM_mode 1,
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defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),&
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temperature,timeinc,ielem,1_pInt,&
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cstress,dsde, pstress, dPdF)
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@ -492,15 +491,15 @@ program mpie_spectral
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print *, 'Calculating equilibrium using spectral method'
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err_div = 0.0_pReal; sigma0 = 0.0_pReal
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call dfftw_execute_dft_r2c(plan_fft(1),workfft,workfft) ! FFT of pstress
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call dfftw_execute_dft_r2c(plan_fft(1),workfft,workfft) ! FFT of pstress
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do m = 1,3 ! L infinity Norm of stress tensor
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sigma0 = max(sigma0, sum(abs(workfft(1,1,1,m,:) + (workfft(2,1,1,m,:))*img)))
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enddo
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err_div = (maxval(abs(math_mul33x3_complex(workfft(resolution(1)+1,resolution(2)/2+1,resolution(3)/2+1,:,:)+& ! L infinity Norm of div(stress)
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err_div = (maxval(abs(math_mul33x3_complex(workfft(resolution(1)+1,resolution(2)/2+1,resolution(3)/2+1,:,:)+& ! L infinity norm of div(stress)
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workfft(resolution(1)+2,resolution(2)/2+1,resolution(3)/2+1,:,:)*img,xi_central))))
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err_div = err_div/sigma0 !weighting of error
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err_div = err_div/sigma0 ! weighting of error
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if(memory_efficient) then ! memory saving version, in-time calculation of gamma_hat
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if(memory_efficient) then ! memory saving version, on-the-fly calculation of gamma_hat
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do k = 1, resolution(3)
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k_s(3) = k-1
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if(k > resolution(3)/2+1) k_s(3) = k_s(3)-resolution(3)
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@ -509,8 +508,8 @@ program mpie_spectral
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if(j > resolution(2)/2+1) k_s(2) = k_s(2)-resolution(2)
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do i = 1, resolution(1)/2+1
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k_s(1) = i-1
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xi(3) = 0.0_pReal !for the 2D case
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if(resolution(3) > 1) xi(3) = real(k_s(3), pReal)/geomdimension(3) !3D case
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xi(3) = 0.0_pReal ! for the 2D case
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if(resolution(3) > 1) xi(3) = real(k_s(3), pReal)/geomdimension(3) ! 3D case
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xi(2) = real(k_s(2), pReal)/geomdimension(2)
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xi(1) = real(k_s(1), pReal)/geomdimension(1)
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if (any(xi(:) /= 0.0_pReal)) then
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@ -530,32 +529,32 @@ program mpie_spectral
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temp33_Complex(m,n) = sum(gamma_hat(1,1,1,m,n,:,:) *(workfft(i*2-1,j,k,:,:)&
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+workfft(i*2 ,j,k,:,:)*img))
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enddo; enddo
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workfft(i*2-1,j,k,:,:) = real (temp33_Complex) ! change of strain
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workfft(i*2-1,j,k,:,:) = real (temp33_Complex) ! change of strain
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workfft(i*2 ,j,k,:,:) = aimag(temp33_Complex)
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enddo; enddo; enddo
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else !use precalculated gamma-operator
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else ! use precalculated gamma-operator
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do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)/2+1
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do m = 1,3; do n = 1,3
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temp33_Complex(m,n) = sum(gamma_hat(i,j,k, m,n,:,:) *(workfft(i*2-1,j,k,:,:)&
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temp33_Complex(m,n) = sum(gamma_hat(i,j,k, m,n,:,:) *(workfft(i*2-1,j,k,:,:)&
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+ workfft(i*2 ,j,k,:,:)*img))
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enddo; enddo
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workfft(i*2-1,j,k,:,:) = real (temp33_Complex) ! change of strain
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workfft(i*2-1,j,k,:,:) = real (temp33_Complex) ! change of strain
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workfft(i*2 ,j,k,:,:) = aimag(temp33_Complex)
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enddo; enddo; enddo
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endif
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workfft(1,1,1,:,:) = defgrad_av - math_I3 !zero frequency (real part)
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workfft(2,1,1,:,:) = 0.0_pReal !zero frequency (imaginary part)
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workfft(1,1,1,:,:) = defgrad_av - math_I3 ! zero frequency (real part)
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workfft(2,1,1,:,:) = 0.0_pReal ! zero frequency (imaginary part)
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call dfftw_execute_dft_c2r(plan_fft(2),workfft,workfft)
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defgrad = defgrad + workfft(1:resolution(1),:,:,:,:)*wgt
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do m = 1,3; do n = 1,3
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defgrad_av(m,n) = sum(defgrad(:,:,:,m,n))*wgt
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defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (defgradAim(m,n) - defgrad_av(m,n)) !anticipated target minus current state
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defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (defgradAim(m,n) - defgrad_av(m,n)) ! anticipated target minus current state
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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_tol = maxval(abs(pstress_av))*err_stress_tolrel !accecpt relativ error specified
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err_stress_tol = maxval(abs(pstress_av))*err_stress_tolrel ! accecpt relative error specified
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err_defgrad = maxval(abs(mask_defgrad * (defgrad_av - defgradAim)))
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print '(2(a,E8.2))', ' error divergence: ',err_div, ' Tol. = ', err_div_tol
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@ -570,7 +569,7 @@ program mpie_spectral
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end select
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enddo ! end looping when convergency is achieved
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write(538) materialpoint_results(:,1,:) !write to output file
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write(538) materialpoint_results(:,1,:) ! write to output file
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print '(a,x,f12.7)' , ' Determinant of Deformation Aim: ', math_det3x3(defgradAim)
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print '(a,/,3(3(f12.7,x)/))', ' Deformation Aim: ',math_transpose3x3(defgradAim)
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