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