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DAMASK_EICMD
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corrected weighting of difference divergence measures, added some additional output and introduced exit code 0 for successful termination.

This commit is contained in:
Martin Diehl 2012-01-30 20:25:04 +00:00
parent 9464937db7
commit 8cf67e1be6
1 changed files with 26 additions and 22 deletions
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code/DAMASK_spectral.f90
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@ -156,7 +156,8 @@ program DAMASK_spectral
real(pReal), dimension(3,3) :: temp33_Real real(pReal), dimension(3,3) :: temp33_Real
integer(pInt) :: i, j, k, l, m, n, p, errorID integer(pInt) :: i, j, k, l, m, n, p, errorID
integer(pInt) :: N_Loadcases, loadcase, inc, iter, ielem, CPFEM_mode, & integer(pInt) :: N_Loadcases, loadcase, inc, iter, ielem, CPFEM_mode, &
ierr, notConvergedCounter = 0_pInt, totalIncsCounter = 0_pInt ierr, notConvergedCounter = 0_pInt, totalIncsCounter = 0_pInt,&
writtenRestart = 0_pInt
logical :: errmatinv logical :: errmatinv
real(pReal) :: defgradDet, correctionFactor real(pReal) :: defgradDet, correctionFactor
@ -766,6 +767,7 @@ program DAMASK_spectral
write (777,rec=1) defgrad write (777,rec=1) defgrad
close (777) close (777)
endif endif
writtenRestart=totalIncsCounter-1_pInt
endif endif
guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase
@ -897,8 +899,8 @@ program DAMASK_spectral
+ sum(aimag(math_mul33x3_complex(tensorField_complex(res1_red,j,k,1:3,1:3),& + sum(aimag(math_mul33x3_complex(tensorField_complex(res1_red,j,k,1:3,1:3),&
xi(1:3,res1_red,j,k))*differentationFactor)**2.0_pReal) xi(1:3,res1_red,j,k))*differentationFactor)**2.0_pReal)
enddo; enddo enddo; enddo
err_div_RMS = sqrt (err_div_RMS*wgt)* correctionFactor ! weighting by and taking square root (RMS). abs(...) because result is a complex number and multiplying with correction factor err_div_RMS = sqrt(err_div_RMS)*wgt ! RMS in real space calculated with Parsevals theorem from Fourier space
err_div = err_div_RMS/p_hat_avg ! criterion to stop iterations err_div = err_div_RMS/p_hat_avg/wgt * correctionFactor ! criterion to stop iterations
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculate additional divergence criteria and report ! calculate additional divergence criteria and report
@ -924,21 +926,20 @@ program DAMASK_spectral
enddo; enddo; enddo enddo; enddo; enddo
p_real_avg = sqrt(maxval (math_eigenvalues33(math_mul33x33(pstress_av_lab,& ! L_2 norm of average stress in real space, p_real_avg = sqrt(maxval (math_eigenvalues33(math_mul33x33(pstress_av_lab,& ! L_2 norm of average stress in real space,
math_transpose33(pstress_av_lab))))) math_transpose33(pstress_av_lab)))))
err_real_div_RMS = sqrt(wgt*err_real_div_RMS)*correctionFactor ! RMS in real space err_real_div_RMS = sqrt(wgt*err_real_div_RMS) ! RMS in real space
err_real_div_max = err_real_div_max *correctionFactor err_div_max = err_div_max*sqrt(wgt)
err_div_max = err_div_max *correctionFactor
print '(a,es10.4,a,f6.2)', 'error divergence FT RMS = ',err_div_RMS/p_hat_avg, ', ', err_div/err_div_tol print '(a,es10.4)', 'error divergence FT RMS = ',err_div_RMS
print '(a,es10.4)', 'error divergence FT max = ',err_div_max/p_hat_avg print '(a,es10.4)', 'error divergence FT max = ',err_div_max
print '(a,es10.4)', 'error divergence Real RMS = ',err_real_div_RMS/p_real_avg print '(a,es10.4)', 'error divergence Real RMS = ',err_real_div_RMS
print '(a,es10.4)', 'error divergence Real max = ',err_real_div_max/p_real_avg print '(a,es10.4)', 'error divergence Real max = ',err_real_div_max
print '(a,es10.4)', 'divergence RMS FT/real = ',err_div_RMS/err_real_div_RMS print '(a,es10.4)', 'divergence RMS FT/real = ',err_div_RMS/err_real_div_RMS
print '(a,es10.4)', 'divergence max FT/real = ',err_div_max/err_real_div_max print '(a,es10.4)', 'divergence max FT/real = ',err_div_max/err_real_div_max
print '(a,es10.4)', 'avg stress FT/real = ',p_hat_avg/p_real_avg print '(a,es10.4)', 'avg stress FT/real = ',p_hat_avg*wgt/p_real_avg
print '(a,es10.4)', 'max deviation from postProc= ',max_div_error print '(a,es10.4)', 'max deviat. from postProc = ',max_div_error
else
print '(a,es10.4,a,f6.2)', 'error divergence = ',err_div, ', ', err_div/err_div_tol
endif endif
print '(a,es10.4,a,f6.2)', 'error divergence = ',err_div, ', rel. error = ', err_div/err_div_tol
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! divergence is calculated from FT(stress), depending on algorithm use field for spectral method ! divergence is calculated from FT(stress), depending on algorithm use field for spectral method
if (.not. simplified_algorithm) tensorField_complex = tau_complex if (.not. simplified_algorithm) tensorField_complex = tau_complex
@ -1037,14 +1038,14 @@ program DAMASK_spectral
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! stress BC handling ! stress BC handling
pstress_av = math_rotate_forward33(pstress_av_lab,bc(loadcase)%rotation) pstress_av = math_rotate_forward33(pstress_av_lab,bc(loadcase)%rotation)
print '(a,/,3(3(f12.7,x)/)$)', 'Piola-Kirchhoff stress / MPa: ',math_transpose33(pstress_av)/1.e6 print '(a,/,3(3(f12.7,x)/)$)', 'Piola-Kirchhoff stress / MPa:',math_transpose33(pstress_av)/1.e6
if(size_reduced > 0_pInt) then ! calculate stress BC if applied if(size_reduced > 0_pInt) then ! calculate stress BC if applied
err_stress = maxval(abs(mask_stress * (pstress_av - bc(loadcase)%stress))) ! maximum deviaton (tensor norm not applicable) err_stress = maxval(abs(mask_stress * (pstress_av - bc(loadcase)%stress))) ! maximum deviaton (tensor norm not applicable)
err_stress_tol = maxval(abs(pstress_av)) * err_stress_tolrel ! don't use any tensor norm because the comparison should be coherent err_stress_tol = maxval(abs(pstress_av)) * err_stress_tolrel ! don't use any tensor norm because the comparison should be coherent
print '(a)', '' print '(a)', ''
print '(a)', '... correcting deformation gradient to fulfill BCs ..........' print '(a)', '... correcting deformation gradient to fulfill BCs ..........'
print '(a,es10.4,a,f6.2)', 'error stress = ',err_stress, ', ', err_stress/err_stress_tol print '(a,es10.4,a,f6.2)', 'error stress = ',err_stress, ', rel. error = ', err_stress/err_stress_tol
defgradAimCorr = - math_mul3333xx33(s_prev, ((pstress_av - bc(loadcase)%stress))) ! residual on given stress components defgradAimCorr = - math_mul3333xx33(s_prev, ((pstress_av - bc(loadcase)%stress))) ! residual on given stress components
defgradAim = defgradAim + defgradAimCorr defgradAim = defgradAim + defgradAimCorr
print '(a,/,3(3(f12.7,x)/)$)', 'new deformation aim: ', math_transpose33(defgradAim) print '(a,/,3(3(f12.7,x)/)$)', 'new deformation aim: ', math_transpose33(defgradAim)
@ -1053,16 +1054,18 @@ program DAMASK_spectral
err_stress_tol = 0.0_pReal err_stress_tol = 0.0_pReal
endif endif
! homogeneous correction towards avg deformation gradient ------------- defgradAim_lab = math_rotate_backward33(defgradAim,bc(loadcase)%rotation) ! boundary conditions from load frame into lab (Fourier) frame
defgradAim_lab = math_rotate_backward33(defgradAim,bc(loadcase)%rotation) ! boundary conditions from load frame into lab (Fourier) frame
do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt
defgrad(1:res(1),1:res(2),1:res(3),m,n) = & defgrad(1:res(1),1:res(2),1:res(3),m,n) = &
defgrad(1:res(1),1:res(2),1:res(3),m,n) + (defgradAim_lab(m,n) - defgrad_av_lab(m,n)) ! anticipated target minus current state defgrad(1:res(1),1:res(2),1:res(3),m,n) + (defgradAim_lab(m,n) - defgrad_av_lab(m,n)) ! anticipated target minus current state
enddo; enddo enddo; enddo
if(debugGeneral) then
print '(a,/,3(3(f12.7,x)/)$)', 'average deformation gradient correction:',&
math_transpose33(defgradAim_lab- defgrad_av_lab)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculate bounds of det(F) and report ! calculate bounds of det(F) and report
if(debugGeneral) then
defgradDetMax = -huge(1.0_pReal) defgradDetMax = -huge(1.0_pReal)
defgradDetMin = +huge(1.0_pReal) defgradDetMin = +huge(1.0_pReal)
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1) do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
@ -1115,6 +1118,7 @@ program DAMASK_spectral
call fftw_destroy_plan(plan_scalarField_forth) call fftw_destroy_plan(plan_scalarField_forth)
call fftw_destroy_plan(plan_scalarField_back) call fftw_destroy_plan(plan_scalarField_back)
endif endif
stop 0
end program DAMASK_spectral end program DAMASK_spectral
!******************************************************************** !********************************************************************