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DAMASK_EICMD
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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 2011-04-06 09:58:17 +00:00
parent 7c7c929455
commit 51763ed93e
1 changed files with 55 additions and 56 deletions
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73
code/mpie_spectral.f90
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@ -54,8 +54,8 @@ program mpie_spectral
!$ use OMP_LIB ! the openMP function library !$ use OMP_LIB ! the openMP function library
implicit none implicit none
include 'fftw3.f' !header file for fftw3 (declaring variables). Library files are also needed include 'fftw3.f' ! header file for fftw3 (declaring variables). Library files are also needed
! compile FFTW 3.2.2 with ./configure --enable-threads ! compile FFTW 3.2.2 with ./configure --enable-threads
! variables to read from loadcase and geom file ! variables to read from loadcase and geom file
real(pReal), dimension(9) :: valuevector ! stores information temporarily from loadcase 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), parameter :: maxNchunksInput = 24 ! 4 identifiers, 18 values for the matrices and 2 scalars
@ -196,10 +196,10 @@ program mpie_spectral
200 close(unit) 200 close(unit)
do i = 1, N_Loadcases do i = 1, N_Loadcases ! consistency checks
if (any(bc_mask(:,:,1,i) == bc_mask(:,:,2,i))) call IO_error(46,i) ! bc_mask consistency if (any(bc_mask(:,:,1,i) == bc_mask(:,:,2,i))) call IO_error(46,i) ! exclisive or masking only
if (bc_timeIncrement(i) < 0.0_pReal) call IO_error(47,i) ! negative time increment forbidden if (bc_timeIncrement(i) < 0.0_pReal) call IO_error(47,i) ! negative time increment
if (bc_steps(i) < 1_pInt) call IO_error(48,i) ! non-positive increments requested if (bc_steps(i) < 1_pInt) call IO_error(48,i) ! non-positive increment count
print '(a,/,3(3(f12.6,x)/))','L:' ,math_transpose3x3(bc_velocityGrad(:,:,i)) print '(a,/,3(3(f12.6,x)/))','L:' ,math_transpose3x3(bc_velocityGrad(:,:,i))
print '(a,/,3(3(f12.6,x)/))','bc_stress:',math_transpose3x3(bc_stress(:,:,i)) print '(a,/,3(3(f12.6,x)/))','bc_stress:',math_transpose3x3(bc_stress(:,:,i))
print '(a,/,3(3(l,x)/))', 'bc_mask for velocitygrad:',transpose(bc_mask(:,:,1,i)) print '(a,/,3(3(l,x)/))', 'bc_mask for velocitygrad:',transpose(bc_mask(:,:,1,i))
@ -263,16 +263,16 @@ program mpie_spectral
allocate (defgradold(resolution(1),resolution(2),resolution(3),3,3)); defgradold = 0.0_pReal allocate (defgradold(resolution(1),resolution(2),resolution(3),3,3)); defgradold = 0.0_pReal
wgt = 1.0_pReal/real(resolution(1)*resolution(2)*resolution(3), pReal) wgt = 1.0_pReal/real(resolution(1)*resolution(2)*resolution(3), pReal)
defgradAim = math_I3 defgradAim = math_I3
defgradAimOld = math_I3 defgradAimOld = math_I3
defgrad_av = math_I3 defgrad_av = math_I3
! Initialization of CPFEM_general (= constitutive law) and of deformation gradient field ! Initialization of CPFEM_general (= constitutive law) and of deformation gradient field
call CPFEM_initAll(temperature,1_pInt,1_pInt) call CPFEM_initAll(temperature,1_pInt,1_pInt)
ielem = 0_pInt ielem = 0_pInt
c066 = 0.0_pReal c066 = 0.0_pReal
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)
defgradold(i,j,k,:,:) = math_I3 !no deformation at the beginning defgradold(i,j,k,:,:) = math_I3 ! no deformation at the beginning
defgrad(i,j,k,:,:) = math_I3 defgrad(i,j,k,:,:) = math_I3
ielem = ielem +1 ielem = ielem +1
call CPFEM_general(2,math_I3,math_I3,temperature,0.0_pReal,ielem,1_pInt,cstress,dsde,pstress,dPdF) call CPFEM_general(2,math_I3,math_I3,temperature,0.0_pReal,ielem,1_pInt,cstress,dsde,pstress,dPdF)
@ -281,12 +281,12 @@ program mpie_spectral
c066 = c066 * wgt c066 = c066 * wgt
c0 = math_mandel66to3333(c066) c0 = math_mandel66to3333(c066)
call math_invert(6, c066, s066,i, errmatinv) call math_invert(6, c066, s066,i, errmatinv)
if(errmatinv) call IO_error(800) !Matrix inversion error if(errmatinv) call IO_error(800) ! Matrix inversion error
s0 = math_mandel66to3333(s066) s0 = math_mandel66to3333(s066)
if(memory_efficient) then ! allocate just single fourth order tensor if(memory_efficient) then ! allocate just single fourth order tensor
allocate (gamma_hat(1,1,1,3,3,3,3)); gamma_hat = 0.0_pReal allocate (gamma_hat(1,1,1,3,3,3,3)); gamma_hat = 0.0_pReal
else ! precalculation of gamma_hat field else ! precalculation of gamma_hat field
allocate (gamma_hat(resolution(1)/2+1,resolution(2),resolution(3),3,3,3,3)); gamma_hat = 0.0_pReal allocate (gamma_hat(resolution(1)/2+1,resolution(2),resolution(3),3,3,3,3)); gamma_hat = 0.0_pReal
do k = 1, resolution(3) do k = 1, resolution(3)
k_s(3) = k-1 k_s(3) = k-1
@ -296,13 +296,13 @@ program mpie_spectral
if(j > resolution(2)/2+1) k_s(2) = k_s(2)-resolution(2) 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 k_s(1) = i-1
xi(3) = 0.0_pReal !for the 2D case xi(3) = 0.0_pReal ! for the 2D case
if(resolution(3) > 1) xi(3) = real(k_s(3), pReal)/geomdimension(3) !3D case if(resolution(3) > 1) xi(3) = real(k_s(3), pReal)/geomdimension(3) ! 3D case
xi(2) = real(k_s(2), pReal)/geomdimension(2) xi(2) = real(k_s(2), pReal)/geomdimension(2)
xi(1) = real(k_s(1), pReal)/geomdimension(1) xi(1) = real(k_s(1), pReal)/geomdimension(1)
if (any(xi /= 0.0_pReal)) then if (any(xi /= 0.0_pReal)) then
do l = 1,3; do m = 1,3 do l = 1,3; do m = 1,3
xinormdyad(l,m) = xi(l)*xi(m)/sum(xi**2) ! Unit sphere, unit vectors in Fourier space xinormdyad(l,m) = xi(l)*xi(m)/sum(xi**2) ! unit sphere, unit vectors in Fourier space
enddo; enddo enddo; enddo
temp33_Real = math_inv3x3(math_mul3333xx33(c0, xinormdyad)) temp33_Real = math_inv3x3(math_mul3333xx33(c0, xinormdyad))
else else
@ -317,8 +317,8 @@ program mpie_spectral
endif endif
! calculate xi for the calculation of divergence in Fourier space (central frequency) ! calculate xi for the calculation of divergence in Fourier space (central frequency)
xi_central(3) = 0.0_pReal !2D case xi_central(3) = 0.0_pReal ! 2D case
if(resolution(3) > 1) xi_central(3) = real(resolution(3)/2, pReal)/geomdimension(3) !3D case if(resolution(3) > 1) xi_central(3) = real(resolution(3)/2, pReal)/geomdimension(3) ! 3D case
xi_central(2) = real(resolution(2)/2, pReal)/geomdimension(2) xi_central(2) = real(resolution(2)/2, pReal)/geomdimension(2)
xi_central(1) = real(resolution(1)/2, pReal)/geomdimension(1) xi_central(1) = real(resolution(1)/2, pReal)/geomdimension(1)
@ -344,14 +344,13 @@ program mpie_spectral
write(538), 'resolution',resolution write(538), 'resolution',resolution
write(538), 'dimension',geomdimension write(538), 'dimension',geomdimension
write(538), 'materialpoint_sizeResults', materialpoint_sizeResults write(538), 'materialpoint_sizeResults', materialpoint_sizeResults
write(538), 'increments', sum(bc_steps) write(538), 'increments', sum(bc_steps+1) ! +1 to store initial situation
write(538), 'eoh' write(538), 'eoh'
write(538) materialpoint_results(:,1,:) write(538) materialpoint_results(:,1,:) ! initial (non-deformed) results
write(538) materialpoint_results(:,1,:) !to be conform with t16 Marc format
! Initialization done ! Initialization done
!************************************************************* !*************************************************************
!Loop over loadcases defined in the loadcase file ! Loop over loadcases defined in the loadcase file
do loadcase = 1, N_Loadcases do loadcase = 1, N_Loadcases
!************************************************************* !*************************************************************
@ -452,7 +451,7 @@ program mpie_spectral
defgradAim = defgradAim + defgradAimCorr defgradAim = defgradAim + defgradAimCorr
do m = 1,3; do n = 1,3 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 defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (defgradAim(m,n) - defgrad_av(m,n)) ! anticipated target minus current state
enddo; enddo enddo; enddo
err_div = 2 * err_div_tol err_div = 2 * err_div_tol
err_defgrad = maxval(abs(mask_defgrad * (defgrad_av - defgradAim))) err_defgrad = maxval(abs(mask_defgrad * (defgrad_av - defgradAim)))
@ -477,7 +476,7 @@ program mpie_spectral
ielem = 0_pInt ielem = 0_pInt
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,
defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),& defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),&
temperature,timeinc,ielem,1_pInt,& temperature,timeinc,ielem,1_pInt,&
cstress,dsde, pstress, dPdF) cstress,dsde, pstress, dPdF)
@ -492,15 +491,15 @@ program mpie_spectral
print *, 'Calculating equilibrium using spectral method' print *, 'Calculating equilibrium using spectral method'
err_div = 0.0_pReal; sigma0 = 0.0_pReal err_div = 0.0_pReal; sigma0 = 0.0_pReal
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
do m = 1,3 ! L infinity Norm of stress tensor do m = 1,3 ! L infinity Norm of stress tensor
sigma0 = max(sigma0, sum(abs(workfft(1,1,1,m,:) + (workfft(2,1,1,m,:))*img))) sigma0 = max(sigma0, sum(abs(workfft(1,1,1,m,:) + (workfft(2,1,1,m,:))*img)))
enddo enddo
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) 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)
workfft(resolution(1)+2,resolution(2)/2+1,resolution(3)/2+1,:,:)*img,xi_central)))) workfft(resolution(1)+2,resolution(2)/2+1,resolution(3)/2+1,:,:)*img,xi_central))))
err_div = err_div/sigma0 !weighting of error err_div = err_div/sigma0 ! weighting of error
if(memory_efficient) then ! memory saving version, in-time calculation of gamma_hat if(memory_efficient) then ! memory saving version, on-the-fly calculation of gamma_hat
do k = 1, resolution(3) do k = 1, resolution(3)
k_s(3) = k-1 k_s(3) = k-1
if(k > resolution(3)/2+1) k_s(3) = k_s(3)-resolution(3) if(k > resolution(3)/2+1) k_s(3) = k_s(3)-resolution(3)
@ -509,8 +508,8 @@ program mpie_spectral
if(j > resolution(2)/2+1) k_s(2) = k_s(2)-resolution(2) 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 k_s(1) = i-1
xi(3) = 0.0_pReal !for the 2D case xi(3) = 0.0_pReal ! for the 2D case
if(resolution(3) > 1) xi(3) = real(k_s(3), pReal)/geomdimension(3) !3D case if(resolution(3) > 1) xi(3) = real(k_s(3), pReal)/geomdimension(3) ! 3D case
xi(2) = real(k_s(2), pReal)/geomdimension(2) xi(2) = real(k_s(2), pReal)/geomdimension(2)
xi(1) = real(k_s(1), pReal)/geomdimension(1) xi(1) = real(k_s(1), pReal)/geomdimension(1)
if (any(xi(:) /= 0.0_pReal)) then if (any(xi(:) /= 0.0_pReal)) then
@ -530,32 +529,32 @@ program mpie_spectral
temp33_Complex(m,n) = sum(gamma_hat(1,1,1,m,n,:,:) *(workfft(i*2-1,j,k,:,:)& temp33_Complex(m,n) = sum(gamma_hat(1,1,1,m,n,:,:) *(workfft(i*2-1,j,k,:,:)&
+workfft(i*2 ,j,k,:,:)*img)) +workfft(i*2 ,j,k,:,:)*img))
enddo; enddo enddo; enddo
workfft(i*2-1,j,k,:,:) = real (temp33_Complex) ! change of strain workfft(i*2-1,j,k,:,:) = real (temp33_Complex) ! change of strain
workfft(i*2 ,j,k,:,:) = aimag(temp33_Complex) workfft(i*2 ,j,k,:,:) = aimag(temp33_Complex)
enddo; enddo; enddo enddo; enddo; enddo
else !use precalculated gamma-operator else ! use precalculated gamma-operator
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
do m = 1,3; do n = 1,3 do m = 1,3; do n = 1,3
temp33_Complex(m,n) = sum(gamma_hat(i,j,k, m,n,:,:) *(workfft(i*2-1,j,k,:,:)& temp33_Complex(m,n) = sum(gamma_hat(i,j,k, m,n,:,:) *(workfft(i*2-1,j,k,:,:)&
+ workfft(i*2 ,j,k,:,:)*img)) + workfft(i*2 ,j,k,:,:)*img))
enddo; enddo enddo; enddo
workfft(i*2-1,j,k,:,:) = real (temp33_Complex) ! change of strain workfft(i*2-1,j,k,:,:) = real (temp33_Complex) ! change of strain
workfft(i*2 ,j,k,:,:) = aimag(temp33_Complex) workfft(i*2 ,j,k,:,:) = aimag(temp33_Complex)
enddo; enddo; enddo enddo; enddo; enddo
endif endif
workfft(1,1,1,:,:) = defgrad_av - math_I3 !zero frequency (real part) workfft(1,1,1,:,:) = defgrad_av - math_I3 ! zero frequency (real part)
workfft(2,1,1,:,:) = 0.0_pReal !zero frequency (imaginary part) workfft(2,1,1,:,:) = 0.0_pReal ! zero frequency (imaginary part)
call dfftw_execute_dft_c2r(plan_fft(2),workfft,workfft) call dfftw_execute_dft_c2r(plan_fft(2),workfft,workfft)
defgrad = defgrad + workfft(1:resolution(1),:,:,:,:)*wgt defgrad = defgrad + workfft(1:resolution(1),:,:,:,:)*wgt
do m = 1,3; do n = 1,3 do m = 1,3; do n = 1,3
defgrad_av(m,n) = sum(defgrad(:,:,:,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 defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (defgradAim(m,n) - defgrad_av(m,n)) ! anticipated target minus current state
enddo; enddo enddo; enddo
err_stress = maxval(abs(mask_stress * (pstress_av - bc_stress(:,:,loadcase)))) err_stress = maxval(abs(mask_stress * (pstress_av - bc_stress(:,:,loadcase))))
err_stress_tol = maxval(abs(pstress_av))*err_stress_tolrel !accecpt relativ error specified err_stress_tol = maxval(abs(pstress_av))*err_stress_tolrel ! accecpt relative error specified
err_defgrad = maxval(abs(mask_defgrad * (defgrad_av - defgradAim))) err_defgrad = maxval(abs(mask_defgrad * (defgrad_av - defgradAim)))
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
@ -570,7 +569,7 @@ program mpie_spectral
end select end select
enddo ! end looping when convergency is achieved enddo ! end looping when convergency is achieved
write(538) materialpoint_results(:,1,:) !write to output file write(538) materialpoint_results(:,1,:) ! write to output file
print '(a,x,f12.7)' , ' Determinant of Deformation Aim: ', math_det3x3(defgradAim) print '(a,x,f12.7)' , ' Determinant of Deformation Aim: ', math_det3x3(defgradAim)
print '(a,/,3(3(f12.7,x)/))', ' Deformation Aim: ',math_transpose3x3(defgradAim) print '(a,/,3(3(f12.7,x)/))', ' Deformation Aim: ',math_transpose3x3(defgradAim)