added F_avg = F_aim in boundary condition convergence check
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Pratheek Shanthraj
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ea7e6ab144
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e62b760a6e
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@ -77,6 +77,7 @@ module DAMASK_spectral_solverAL
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F_aimDot, & !< assumed rate of average deformation gradient
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F_aim = math_I3, & !< current prescribed deformation gradient
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F_aim_lastInc = math_I3, & !< previous average deformation gradient
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F_av = 0.0_pReal, & !< average incompatible def grad field
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P_av = 0.0_pReal, & !< average 1st Piola--Kirchhoff stress
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P_avLastEval = 0.0_pReal !< average 1st Piola--Kirchhoff stress last call of CPFEM_general
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character(len=1024), private :: incInfo !< time and increment information
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@ -89,7 +90,7 @@ module DAMASK_spectral_solverAL
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S_scale = 0.0_pReal
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real(pReal), private :: &
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err_stress, & !< deviation from stress BC
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err_BC, & !< deviation from stress BC
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err_curl, & !< RMS of curl of F
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err_div !< RMS of div of P
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logical, private :: ForwardData
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@ -530,6 +531,8 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
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call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
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call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
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F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt
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if(nfuncs== 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
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if (totalIter <= PETScIter) then ! new iteration
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!--------------------------------------------------------------------------------------------------
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@ -653,23 +656,24 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
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real(pReal) :: &
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curlTol, &
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divTol, &
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stressTol
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BC_tol
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!--------------------------------------------------------------------------------------------------
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! stress BC handling
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F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%P_BC))) ! S = 0.0 for no bc
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err_stress = maxval(abs(mask_stress * (P_av - params%P_BC))) ! mask = 0.0 for no bc
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err_BC = maxval(abs((1.0_pReal - mask_stress)*math_mul3333xx33(C_scale,F_aim-F_av) + &
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mask_stress *(P_av - params%P_BC))) ! mask = 0.0 for no bc
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!--------------------------------------------------------------------------------------------------
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! error calculation
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curlTol = max(maxval(abs(F_aim-math_I3))*err_curl_tolRel,err_curl_tolAbs)
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divTol = max(maxval(abs(P_av)) *err_div_tolRel,err_div_tolAbs)
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stressTol = max(maxval(abs(P_av)) *err_stress_tolrel,err_stress_tolabs)
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BC_tol = max(maxval(abs(P_av)) *err_stress_tolrel,err_stress_tolabs)
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converged: if ((totalIter >= itmin .and. &
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all([ err_div/divTol, &
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err_curl/curlTol, &
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err_stress/stressTol ] < 1.0_pReal)) &
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err_BC/BC_tol ] < 1.0_pReal)) &
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.or. terminallyIll) then
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reason = 1
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elseif (totalIter >= itmax) then converged
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@ -686,7 +690,7 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
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write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
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err_div/divTol, ' (',err_div,' / m, tol =',divTol,')'
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write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
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err_stress/stressTol, ' (',err_stress, ' Pa, tol =',stressTol,')'
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err_BC/BC_tol, ' (',err_BC, ' Pa, tol =',BC_tol,')'
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write(6,'(/,a)') ' ==========================================================================='
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flush(6)
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@ -77,6 +77,7 @@ module DAMASK_spectral_solverPolarisation
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F_aimDot, & !< assumed rate of average deformation gradient
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F_aim = math_I3, & !< current prescribed deformation gradient
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F_aim_lastInc = math_I3, & !< previous average deformation gradient
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F_av = 0.0_pReal, & !< average incompatible def grad field
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P_av = 0.0_pReal, & !< average 1st Piola--Kirchhoff stress
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P_avLastEval = 0.0_pReal !< average 1st Piola--Kirchhoff stress last call of CPFEM_general
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character(len=1024), private :: incInfo !< time and increment information
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@ -89,7 +90,7 @@ module DAMASK_spectral_solverPolarisation
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S_scale = 0.0_pReal
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real(pReal), private :: &
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err_stress, & !< deviation from stress BC
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err_BC, & !< deviation from stress BC
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err_curl, & !< RMS of curl of F
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err_div !< RMS of div of P
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logical, private :: ForwardData
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@ -529,6 +530,8 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
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call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
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call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
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F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt
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if(nfuncs== 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
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if (totalIter <= PETScIter) then ! new iteration
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!--------------------------------------------------------------------------------------------------
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@ -568,7 +571,6 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
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polarBeta*math_mul3333xx33(C_scale,F(1:3,1:3,i,j,k) - math_I3) -&
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polarAlpha*math_mul33x33(F(1:3,1:3,i,j,k), &
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math_mul3333xx33(C_scale,F_tau(1:3,1:3,i,j,k) - F(1:3,1:3,i,j,k) - math_I3))
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enddo; enddo; enddo
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!--------------------------------------------------------------------------------------------------
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@ -652,23 +654,24 @@ subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,
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real(pReal) :: &
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curlTol, &
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divTol, &
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stressTol
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BC_tol
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!--------------------------------------------------------------------------------------------------
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! stress BC handling
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F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%P_BC))) ! S = 0.0 for no bc
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err_stress = maxval(abs(mask_stress * (P_av - params%P_BC))) ! mask = 0.0 for no bc
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err_BC = maxval(abs((1.0_pReal - mask_stress)*math_mul3333xx33(C_scale,F_aim-F_av) + &
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mask_stress *(P_av - params%P_BC))) ! mask = 0.0 for no bc
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!--------------------------------------------------------------------------------------------------
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! error calculation
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curlTol = max(maxval(abs(F_aim-math_I3))*err_curl_tolRel,err_curl_tolAbs)
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divTol = max(maxval(abs(P_av)) *err_div_tolRel,err_div_tolAbs)
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stressTol = max(maxval(abs(P_av)) *err_stress_tolrel,err_stress_tolabs)
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BC_tol = max(maxval(abs(P_av)) *err_stress_tolrel,err_stress_tolabs)
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converged: if ((totalIter >= itmin .and. &
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all([ err_div/divTol, &
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err_curl/curlTol, &
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err_stress/stressTol ] < 1.0_pReal)) &
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err_BC/BC_tol ] < 1.0_pReal)) &
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.or. terminallyIll) then
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reason = 1
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elseif (totalIter >= itmax) then converged
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@ -684,8 +687,8 @@ subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,
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err_curl/curlTol,' (',err_curl,' -, tol =',curlTol,')'
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write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
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err_div/divTol, ' (',err_div,' / m, tol =',divTol,')'
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write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
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err_stress/stressTol, ' (',err_stress, ' Pa, tol =',stressTol,')'
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write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', &
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err_BC/BC_tol, ' (',err_BC, ' Pa, tol =',BC_tol,')'
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write(6,'(/,a)') ' ==========================================================================='
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flush(6)
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