print statements prevents reading code
first re-structure and clean, than re-implement where useful
This commit is contained in:
Martin Diehl
parent
6463fcdabd
commit
e212f91fac
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@ -403,14 +403,6 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
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sourceState( material_phaseAt(c,e))%p(s)%subState0(:,material_phaseMemberAt(c,i,e)) &
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sourceState( material_phaseAt(c,e))%p(s)%subState0(:,material_phaseMemberAt(c,i,e)) &
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= sourceState(material_phaseAt(c,e))%p(s)%state( :,material_phaseMemberAt(c,i,e))
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= sourceState(material_phaseAt(c,e))%p(s)%state( :,material_phaseMemberAt(c,i,e))
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enddo
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enddo
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite),debug_levelBasic) /= 0 &
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.and. ((e == debug_e .and. i == debug_i .and. c == debug_g) &
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.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0)) &
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write(6,'(a,f12.8,a,f12.8,a,i8,1x,i2,1x,i3,/)') '<< CRYST stress >> winding forward from ', &
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crystallite_subFrac(c,i,e)-formerSubStep,' to current crystallite_subfrac ', &
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crystallite_subFrac(c,i,e),' in crystallite_stress at el ip ipc ',e,i,c
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#endif
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endif
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endif
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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@ -435,18 +427,6 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
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! cant restore dotState here, since not yet calculated in first cutback after initialization
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! cant restore dotState here, since not yet calculated in first cutback after initialization
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crystallite_todo(c,i,e) = crystallite_subStep(c,i,e) > num%subStepMinCryst ! still on track or already done (beyond repair)
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crystallite_todo(c,i,e) = crystallite_subStep(c,i,e) > num%subStepMinCryst ! still on track or already done (beyond repair)
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0 &
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.and. ((e == debug_e .and. i == debug_i .and. c == debug_g) &
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.or. .not. iand(debug_level(debug_crystallite),debug_levelSelective) /= 0)) then
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if (crystallite_todo(c,i,e)) then
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write(6,'(a,f12.8,a,i8,1x,i2,1x,i3,/)') '<< CRYST stress >> cutback with new crystallite_subStep: ', &
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crystallite_subStep(c,i,e),' at el ip ipc ',e,i,c
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else
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write(6,'(a,i8,1x,i2,1x,i3,/)') '<< CRYST stress >> reached minimum step size at el ip ipc ',e,i,c
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endif
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endif
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#endif
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endif
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endif
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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@ -467,20 +447,6 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
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enddo elementLooping3
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enddo elementLooping3
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!$OMP END PARALLEL DO
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!$OMP END PARALLEL DO
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0) then
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write(6,'(/,a,f8.5,a,f8.5,/)') '<< CRYST stress >> ',minval(crystallite_subStep), &
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' ≤ subStep ≤ ',maxval(crystallite_subStep)
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write(6,'(/,a,f8.5,a,f8.5,/)') '<< CRYST stress >> ',minval(crystallite_subFrac), &
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' ≤ subFrac ≤ ',maxval(crystallite_subFrac)
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flush(6)
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if (iand(debug_level(debug_crystallite),debug_levelSelective) /= 0) then
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write(6,'(/,a,f8.5,1x,a,1x,f8.5,1x,a)') '<< CRYST stress >> subFrac + subStep = ',&
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crystallite_subFrac(debug_g,debug_i,debug_e),'+',crystallite_subStep(debug_g,debug_i,debug_e),'@selective'
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flush(6)
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endif
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endif
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#endif
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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! integrate --- requires fully defined state array (basic + dependent state)
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! integrate --- requires fully defined state array (basic + dependent state)
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if (any(crystallite_todo)) call integrateState ! TODO: unroll into proper elementloop to avoid N^2 for single point evaluation
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if (any(crystallite_todo)) call integrateState ! TODO: unroll into proper elementloop to avoid N^2 for single point evaluation
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@ -498,36 +464,6 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
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enddo
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enddo
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enddo elementLooping5
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enddo elementLooping5
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#ifdef DEBUG
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elementLooping6: do e = FEsolving_execElem(1),FEsolving_execElem(2)
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do i = FEsolving_execIP(1),FEsolving_execIP(2)
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do c = 1,homogenization_Ngrains(material_homogenizationAt(e))
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if (.not. crystallite_converged(c,i,e)) then
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if(iand(debug_level(debug_crystallite), debug_levelBasic) /= 0) &
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write(6,'(a,i8,1x,i2,1x,i3,/)') '<< CRYST stress >> no convergence at el ip ipc ', &
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e,i,c
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endif
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0 &
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.and. ((e == debug_e .and. i == debug_i .and. c == debug_g) &
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.or. .not. iand(debug_level(debug_crystallite),debug_levelSelective) /= 0)) then
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write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST stress >> solution at el ip ipc ',e,i,c
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write(6,'(/,a,/,3(12x,3(f12.4,1x)/))') '<< CRYST stress >> P / MPa', &
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transpose(crystallite_P(1:3,1:3,c,i,e))*1.0e-6_pReal
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write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST stress >> Fp', &
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transpose(crystallite_Fp(1:3,1:3,c,i,e))
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write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST stress >> Fi', &
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transpose(crystallite_Fi(1:3,1:3,c,i,e))
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write(6,'(a,/,3(12x,3(f14.9,1x)/),/)') '<< CRYST stress >> Lp', &
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transpose(crystallite_Lp(1:3,1:3,c,i,e))
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write(6,'(a,/,3(12x,3(f14.9,1x)/),/)') '<< CRYST stress >> Li', &
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transpose(crystallite_Li(1:3,1:3,c,i,e))
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flush(6)
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endif
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enddo
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enddo
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enddo elementLooping6
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#endif
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end function crystallite_stress
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end function crystallite_stress
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@ -642,24 +578,18 @@ subroutine crystallite_stressTangent
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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! assemble dPdF
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! assemble dPdF
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temp_33_1 = matmul(crystallite_invFp(1:3,1:3,c,i,e), &
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temp_33_1 = matmul(crystallite_S(1:3,1:3,c,i,e),transpose(crystallite_invFp(1:3,1:3,c,i,e)))
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matmul(crystallite_S(1:3,1:3,c,i,e), &
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temp_33_2 = matmul(crystallite_invFp(1:3,1:3,c,i,e),temp_33_1)
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transpose(crystallite_invFp(1:3,1:3,c,i,e))))
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temp_33_3 = matmul(crystallite_subF(1:3,1:3,c,i,e),crystallite_invFp(1:3,1:3,c,i,e))
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temp_33_2 = matmul(crystallite_S(1:3,1:3,c,i,e), &
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temp_33_4 = matmul(temp_33_3,crystallite_S(1:3,1:3,c,i,e))
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transpose(crystallite_invFp(1:3,1:3,c,i,e)))
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temp_33_3 = matmul(crystallite_subF(1:3,1:3,c,i,e), &
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crystallite_invFp(1:3,1:3,c,i,e))
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temp_33_4 = matmul(matmul(crystallite_subF(1:3,1:3,c,i,e), &
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crystallite_invFp(1:3,1:3,c,i,e)), &
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crystallite_S(1:3,1:3,c,i,e))
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crystallite_dPdF(1:3,1:3,1:3,1:3,c,i,e) = 0.0_pReal
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crystallite_dPdF(1:3,1:3,1:3,1:3,c,i,e) = 0.0_pReal
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do p=1,3
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do p=1,3
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crystallite_dPdF(p,1:3,p,1:3,c,i,e) = transpose(temp_33_1)
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crystallite_dPdF(p,1:3,p,1:3,c,i,e) = transpose(temp_33_2)
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enddo
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enddo
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do o=1,3; do p=1,3
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do o=1,3; do p=1,3
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crystallite_dPdF(1:3,1:3,p,o,c,i,e) = crystallite_dPdF(1:3,1:3,p,o,c,i,e) + &
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crystallite_dPdF(1:3,1:3,p,o,c,i,e) = crystallite_dPdF(1:3,1:3,p,o,c,i,e) + &
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matmul(matmul(crystallite_subF(1:3,1:3,c,i,e),dFpinvdF(1:3,1:3,p,o)),temp_33_2) + &
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matmul(matmul(crystallite_subF(1:3,1:3,c,i,e),dFpinvdF(1:3,1:3,p,o)),temp_33_1) + &
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matmul(matmul(temp_33_3,dSdF(1:3,1:3,p,o)),transpose(crystallite_invFp(1:3,1:3,c,i,e))) + &
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matmul(matmul(temp_33_3,dSdF(1:3,1:3,p,o)),transpose(crystallite_invFp(1:3,1:3,c,i,e))) + &
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matmul(temp_33_4,transpose(dFpinvdF(1:3,1:3,p,o)))
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matmul(temp_33_4,transpose(dFpinvdF(1:3,1:3,p,o)))
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enddo; enddo
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enddo; enddo
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@ -919,12 +849,6 @@ logical function integrateStress(ipc,ip,el,timeFraction)
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!* be pessimistic
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!* be pessimistic
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integrateStress = .false.
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integrateStress = .false.
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0 &
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.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
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.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0)) &
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write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST integrateStress >> at el ip ipc ',el,ip,ipc
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#endif
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if (present(timeFraction)) then
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if (present(timeFraction)) then
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dt = crystallite_subdt(ipc,ip,el) * timeFraction
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dt = crystallite_subdt(ipc,ip,el) * timeFraction
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@ -941,27 +865,12 @@ logical function integrateStress(ipc,ip,el,timeFraction)
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invFp_current = math_inv33(crystallite_subFp0(1:3,1:3,ipc,ip,el))
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invFp_current = math_inv33(crystallite_subFp0(1:3,1:3,ipc,ip,el))
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failedInversionFp: if (all(dEq0(invFp_current))) then
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failedInversionFp: if (all(dEq0(invFp_current))) then
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0) &
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write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST integrateStress >> failed on inversion of current Fp at el ip ipc ',&
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el,ip,ipc
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) > 0) &
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write(6,'(/,a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> current Fp ',transpose(crystallite_subFp0(1:3,1:3,ipc,ip,el))
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#endif
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return
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return
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endif failedInversionFp
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endif failedInversionFp
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A = matmul(Fg_new,invFp_current) ! intermediate tensor needed later to calculate dFe_dLp
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A = matmul(Fg_new,invFp_current) ! intermediate tensor needed later to calculate dFe_dLp
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invFi_current = math_inv33(crystallite_subFi0(1:3,1:3,ipc,ip,el))
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invFi_current = math_inv33(crystallite_subFi0(1:3,1:3,ipc,ip,el))
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failedInversionFi: if (all(dEq0(invFi_current))) then
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failedInversionFi: if (all(dEq0(invFi_current))) then
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0) &
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write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST integrateStress >> failed on inversion of current Fi at el ip ipc ',&
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el,ip,ipc
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) > 0) &
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write(6,'(/,a,/,3(12x,3(f12.7,1x)/))') '<< CRYST integrateStress >> current Fi ', &
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transpose(crystallite_subFi0(1:3,1:3,ipc,ip,el))
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#endif
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return
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return
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endif failedInversionFi
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endif failedInversionFi
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@ -974,11 +883,6 @@ logical function integrateStress(ipc,ip,el,timeFraction)
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LiLoop: do
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LiLoop: do
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NiterationStressLi = NiterationStressLi + 1
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NiterationStressLi = NiterationStressLi + 1
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LiLoopLimit: if (NiterationStressLi > num%nStress) then
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LiLoopLimit: if (NiterationStressLi > num%nStress) then
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0) &
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write(6,'(a,i3,a,i8,1x,i2,1x,i3,/)') '<< CRYST integrateStress >> reached Li loop limit',num%nStress, &
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' at el ip ipc ', el,ip,ipc
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#endif
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return
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return
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endif LiLoopLimit
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endif LiLoopLimit
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@ -996,37 +900,17 @@ logical function integrateStress(ipc,ip,el,timeFraction)
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LpLoop: do
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LpLoop: do
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NiterationStressLp = NiterationStressLp + 1
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NiterationStressLp = NiterationStressLp + 1
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LpLoopLimit: if (NiterationStressLp > num%nStress) then
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LpLoopLimit: if (NiterationStressLp > num%nStress) then
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0) &
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write(6,'(a,i3,a,i8,1x,i2,1x,i3,/)') '<< CRYST integrateStress >> reached Lp loop limit',num%nStress, &
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' at el ip ipc ', el,ip,ipc
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#endif
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return
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return
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endif LpLoopLimit
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endif LpLoopLimit
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!* calculate (elastic) 2nd Piola--Kirchhoff stress tensor and its tangent from constitutive law
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B = math_I3 - dt*Lpguess
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B = math_I3 - dt*Lpguess
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Fe = matmul(matmul(A,B), invFi_new)
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Fe = matmul(matmul(A,B), invFi_new)
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call constitutive_SandItsTangents(S, dS_dFe, dS_dFi, &
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call constitutive_SandItsTangents(S, dS_dFe, dS_dFi, &
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Fe, Fi_new, ipc, ip, el) ! call constitutive law to calculate 2nd Piola-Kirchhoff stress and its derivative in unloaded configuration
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Fe, Fi_new, ipc, ip, el) ! call constitutive law to calculate 2nd Piola-Kirchhoff stress and its derivative in unloaded configuration
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!* calculate plastic velocity gradient and its tangent from constitutive law
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call constitutive_LpAndItsTangents(Lp_constitutive, dLp_dS, dLp_dFi, &
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call constitutive_LpAndItsTangents(Lp_constitutive, dLp_dS, dLp_dFi, &
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S, Fi_new, ipc, ip, el)
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S, Fi_new, ipc, ip, el)
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0 &
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.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
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.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0)) then
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write(6,'(a,i3,/)') '<< CRYST integrateStress >> Lp iteration ', NiterationStressLp
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write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST integrateStress >> Lpguess', transpose(Lpguess)
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write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST integrateStress >> Lp_constitutive', transpose(Lp_constitutive)
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write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST integrateStress >> Fi', transpose(Fi_new)
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write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST integrateStress >> Fe', transpose(Fe)
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write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST integrateStress >> S', transpose(S)
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endif
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#endif
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!* update current residuum and check for convergence of loop
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!* update current residuum and check for convergence of loop
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aTolLp = max(num%rTol_crystalliteStress * max(norm2(Lpguess),norm2(Lp_constitutive)), & ! absolute tolerance from largest acceptable relative error
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aTolLp = max(num%rTol_crystalliteStress * max(norm2(Lpguess),norm2(Lp_constitutive)), & ! absolute tolerance from largest acceptable relative error
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@ -1034,13 +918,6 @@ logical function integrateStress(ipc,ip,el,timeFraction)
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residuumLp = Lpguess - Lp_constitutive
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residuumLp = Lpguess - Lp_constitutive
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if (any(IEEE_is_NaN(residuumLp))) then
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if (any(IEEE_is_NaN(residuumLp))) then
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0) &
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write(6,'(a,i8,1x,i2,1x,i3,a,i3,a)') '<< CRYST integrateStress >> encountered NaN for Lp-residuum at el ip ipc ', &
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el,ip,ipc, &
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' ; iteration ', NiterationStressLp,&
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' >> returning..!'
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|
||||||
#endif
|
|
||||||
return ! ...me = .false. to inform integrator about problem
|
return ! ...me = .false. to inform integrator about problem
|
||||||
elseif (norm2(residuumLp) < aTolLp) then ! converged if below absolute tolerance
|
elseif (norm2(residuumLp) < aTolLp) then ! converged if below absolute tolerance
|
||||||
exit LpLoop ! ...leave iteration loop
|
exit LpLoop ! ...leave iteration loop
|
||||||
|
|
@ -1052,17 +929,9 @@ logical function integrateStress(ipc,ip,el,timeFraction)
|
||||||
else ! not converged and residuum not improved...
|
else ! not converged and residuum not improved...
|
||||||
steplengthLp = num%subStepSizeLp * steplengthLp ! ...try with smaller step length in same direction
|
steplengthLp = num%subStepSizeLp * steplengthLp ! ...try with smaller step length in same direction
|
||||||
Lpguess = Lpguess_old + steplengthLp * deltaLp
|
Lpguess = Lpguess_old + steplengthLp * deltaLp
|
||||||
#ifdef DEBUG
|
|
||||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0 &
|
|
||||||
.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
|
|
||||||
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0)) then
|
|
||||||
write(6,'(a,1x,f7.4)') '<< CRYST integrateStress >> linear search for Lpguess with step', steplengthLp
|
|
||||||
endif
|
|
||||||
#endif
|
|
||||||
cycle LpLoop
|
cycle LpLoop
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
|
||||||
!* calculate Jacobian for correction term
|
!* calculate Jacobian for correction term
|
||||||
if (mod(jacoCounterLp, num%iJacoLpresiduum) == 0) then
|
if (mod(jacoCounterLp, num%iJacoLpresiduum) == 0) then
|
||||||
do o=1,3; do p=1,3
|
do o=1,3; do p=1,3
|
||||||
|
|
@ -1071,39 +940,10 @@ logical function integrateStress(ipc,ip,el,timeFraction)
|
||||||
dFe_dLp = - dt * dFe_dLp
|
dFe_dLp = - dt * dFe_dLp
|
||||||
dRLp_dLp = math_identity2nd(9) &
|
dRLp_dLp = math_identity2nd(9) &
|
||||||
- math_3333to99(math_mul3333xx3333(math_mul3333xx3333(dLp_dS,dS_dFe),dFe_dLp))
|
- math_3333to99(math_mul3333xx3333(math_mul3333xx3333(dLp_dS,dS_dFe),dFe_dLp))
|
||||||
#ifdef DEBUG
|
|
||||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0 &
|
|
||||||
.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
|
|
||||||
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0)) then
|
|
||||||
write(6,'(a,/,9(12x,9(e12.4,1x)/))') '<< CRYST integrateStress >> dLp_dS', math_3333to99(dLp_dS)
|
|
||||||
write(6,'(a,1x,e20.10)') '<< CRYST integrateStress >> dLp_dS norm', norm2(math_3333to99(dLp_dS))
|
|
||||||
write(6,'(a,/,9(12x,9(e12.4,1x)/))') '<< CRYST integrateStress >> dRLp_dLp', dRLp_dLp-math_identity2nd(9)
|
|
||||||
write(6,'(a,1x,e20.10)') '<< CRYST integrateStress >> dRLp_dLp norm', norm2(dRLp_dLp-math_identity2nd(9))
|
|
||||||
endif
|
|
||||||
#endif
|
|
||||||
dRLp_dLp2 = dRLp_dLp ! will be overwritten in first call to LAPACK routine
|
dRLp_dLp2 = dRLp_dLp ! will be overwritten in first call to LAPACK routine
|
||||||
work = math_33to9(residuumLp)
|
work = math_33to9(residuumLp)
|
||||||
call dgesv(9,1,dRLp_dLp2,9,devNull,work,9,ierr) ! solve dRLp/dLp * delta Lp = -res for delta Lp
|
call dgesv(9,1,dRLp_dLp2,9,devNull,work,9,ierr) ! solve dRLp/dLp * delta Lp = -res for delta Lp
|
||||||
if (ierr /= 0) then
|
if (ierr /= 0) then
|
||||||
#ifdef DEBUG
|
|
||||||
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0) then
|
|
||||||
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST integrateStress >> failed on dR/dLp inversion at el ip ipc ', &
|
|
||||||
el,ip,ipc
|
|
||||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0 &
|
|
||||||
.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g)&
|
|
||||||
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0)) then
|
|
||||||
write(6,*)
|
|
||||||
write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST integrateStress >> dR_dLp',transpose(dRLp_dLp)
|
|
||||||
write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST integrateStress >> dFe_dLp',transpose(math_3333to99(dFe_dLp))
|
|
||||||
write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST integrateStress >> dS_dFe (cnst)',transpose(math_3333to99(dS_dFe))
|
|
||||||
write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST integrateStress >> dLp_dS (cnst)',transpose(math_3333to99(dLp_dS))
|
|
||||||
write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST integrateStress >> A',transpose(A)
|
|
||||||
write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST integrateStress >> B',transpose(B)
|
|
||||||
write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST integrateStress >> Lp_constitutive',transpose(Lp_constitutive)
|
|
||||||
write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST integrateStress >> Lpguess',transpose(Lpguess)
|
|
||||||
endif
|
|
||||||
endif
|
|
||||||
#endif
|
|
||||||
return
|
return
|
||||||
endif
|
endif
|
||||||
deltaLp = - math_9to33(work)
|
deltaLp = - math_9to33(work)
|
||||||
|
|
@ -1114,32 +954,14 @@ logical function integrateStress(ipc,ip,el,timeFraction)
|
||||||
|
|
||||||
enddo LpLoop
|
enddo LpLoop
|
||||||
|
|
||||||
!* calculate intermediate velocity gradient and its tangent from constitutive law
|
|
||||||
call constitutive_LiAndItsTangents(Li_constitutive, dLi_dS, dLi_dFi, &
|
call constitutive_LiAndItsTangents(Li_constitutive, dLi_dS, dLi_dFi, &
|
||||||
S, Fi_new, ipc, ip, el)
|
S, Fi_new, ipc, ip, el)
|
||||||
|
|
||||||
#ifdef DEBUG
|
|
||||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0 &
|
|
||||||
.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
|
|
||||||
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0)) then
|
|
||||||
write(6,'(a,i3,/)') '<< CRYST integrateStress >> Li iteration ', NiterationStressLi
|
|
||||||
write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST integrateStress >> Li_constitutive', transpose(Li_constitutive)
|
|
||||||
write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST integrateStress >> Liguess', transpose(Liguess)
|
|
||||||
endif
|
|
||||||
#endif
|
|
||||||
|
|
||||||
!* update current residuum and check for convergence of loop
|
!* update current residuum and check for convergence of loop
|
||||||
aTolLi = max(num%rTol_crystalliteStress * max(norm2(Liguess),norm2(Li_constitutive)), & ! absolute tolerance from largest acceptable relative error
|
aTolLi = max(num%rTol_crystalliteStress * max(norm2(Liguess),norm2(Li_constitutive)), & ! absolute tolerance from largest acceptable relative error
|
||||||
num%aTol_crystalliteStress) ! minimum lower cutoff
|
num%aTol_crystalliteStress) ! minimum lower cutoff
|
||||||
residuumLi = Liguess - Li_constitutive
|
residuumLi = Liguess - Li_constitutive
|
||||||
if (any(IEEE_is_NaN(residuumLi))) then ! NaN in residuum...
|
if (any(IEEE_is_NaN(residuumLi))) then ! NaN in residuum...
|
||||||
#ifdef DEBUG
|
|
||||||
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0) &
|
|
||||||
write(6,'(a,i8,1x,i2,1x,i3,a,i3,a)') '<< CRYST integrateStress >> encountered NaN for Li-residuum at el ip ipc ', &
|
|
||||||
el,ip,ipc, &
|
|
||||||
' ; iteration ', NiterationStressLi,&
|
|
||||||
' >> returning..!'
|
|
||||||
#endif
|
|
||||||
return ! ...me = .false. to inform integrator about problem
|
return ! ...me = .false. to inform integrator about problem
|
||||||
elseif (norm2(residuumLi) < aTolLi) then ! converged if below absolute tolerance
|
elseif (norm2(residuumLi) < aTolLi) then ! converged if below absolute tolerance
|
||||||
exit LiLoop ! ...leave iteration loop
|
exit LiLoop ! ...leave iteration loop
|
||||||
|
|
@ -1151,13 +973,6 @@ logical function integrateStress(ipc,ip,el,timeFraction)
|
||||||
else ! not converged and residuum not improved...
|
else ! not converged and residuum not improved...
|
||||||
steplengthLi = num%subStepSizeLi * steplengthLi ! ...try with smaller step length in same direction
|
steplengthLi = num%subStepSizeLi * steplengthLi ! ...try with smaller step length in same direction
|
||||||
Liguess = Liguess_old + steplengthLi * deltaLi
|
Liguess = Liguess_old + steplengthLi * deltaLi
|
||||||
#ifdef DEBUG
|
|
||||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0 &
|
|
||||||
.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
|
|
||||||
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0)) then
|
|
||||||
write(6,'(a,1x,f7.4)') '<< CRYST integrateStress >> linear search for Liguess with step', steplengthLi
|
|
||||||
endif
|
|
||||||
#endif
|
|
||||||
cycle LiLoop
|
cycle LiLoop
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
|
@ -1178,23 +993,6 @@ logical function integrateStress(ipc,ip,el,timeFraction)
|
||||||
work = math_33to9(residuumLi)
|
work = math_33to9(residuumLi)
|
||||||
call dgesv(9,1,dRLi_dLi,9,devNull,work,9,ierr) ! solve dRLi/dLp * delta Li = -res for delta Li
|
call dgesv(9,1,dRLi_dLi,9,devNull,work,9,ierr) ! solve dRLi/dLp * delta Li = -res for delta Li
|
||||||
if (ierr /= 0) then
|
if (ierr /= 0) then
|
||||||
#ifdef DEBUG
|
|
||||||
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0) then
|
|
||||||
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST integrateStress >> failed on dR/dLi inversion at el ip ipc ', &
|
|
||||||
el,ip,ipc
|
|
||||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0 &
|
|
||||||
.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g)&
|
|
||||||
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0)) then
|
|
||||||
write(6,*)
|
|
||||||
write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST integrateStress >> dR_dLi',transpose(dRLi_dLi)
|
|
||||||
write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST integrateStress >> dFe_dLi',transpose(math_3333to99(dFe_dLi))
|
|
||||||
write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST integrateStress >> dS_dFi (cnst)',transpose(math_3333to99(dS_dFi))
|
|
||||||
write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST integrateStress >> dLi_dS (cnst)',transpose(math_3333to99(dLi_dS))
|
|
||||||
write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST integrateStress >> Li_constitutive',transpose(Li_constitutive)
|
|
||||||
write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST integrateStress >> Liguess',transpose(Liguess)
|
|
||||||
endif
|
|
||||||
endif
|
|
||||||
#endif
|
|
||||||
return
|
return
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
|
@ -1203,13 +1001,6 @@ logical function integrateStress(ipc,ip,el,timeFraction)
|
||||||
jacoCounterLi = jacoCounterLi + 1
|
jacoCounterLi = jacoCounterLi + 1
|
||||||
|
|
||||||
Liguess = Liguess + steplengthLi * deltaLi
|
Liguess = Liguess + steplengthLi * deltaLi
|
||||||
#ifdef DEBUG
|
|
||||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0 &
|
|
||||||
.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
|
|
||||||
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0)) then
|
|
||||||
write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST integrateStress >> corrected Liguess by', transpose(deltaLi)
|
|
||||||
endif
|
|
||||||
#endif
|
|
||||||
enddo LiLoop
|
enddo LiLoop
|
||||||
|
|
||||||
!* calculate new plastic and elastic deformation gradient
|
!* calculate new plastic and elastic deformation gradient
|
||||||
|
|
@ -1217,16 +1008,6 @@ logical function integrateStress(ipc,ip,el,timeFraction)
|
||||||
invFp_new = invFp_new / math_det33(invFp_new)**(1.0_pReal/3.0_pReal) ! regularize
|
invFp_new = invFp_new / math_det33(invFp_new)**(1.0_pReal/3.0_pReal) ! regularize
|
||||||
Fp_new = math_inv33(invFp_new)
|
Fp_new = math_inv33(invFp_new)
|
||||||
failedInversionInvFp: if (all(dEq0(Fp_new))) then
|
failedInversionInvFp: if (all(dEq0(Fp_new))) then
|
||||||
#ifdef DEBUG
|
|
||||||
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0) then
|
|
||||||
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST integrateStress >> failed on invFp_new inversion at el ip ipc ', &
|
|
||||||
el,ip,ipc
|
|
||||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0 &
|
|
||||||
.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
|
|
||||||
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0)) &
|
|
||||||
write(6,'(/,a,/,3(12x,3(f12.7,1x)/))') '<< CRYST integrateStress >> invFp_new',transpose(invFp_new)
|
|
||||||
endif
|
|
||||||
#endif
|
|
||||||
return
|
return
|
||||||
endif failedInversionInvFp
|
endif failedInversionInvFp
|
||||||
Fe_new = matmul(matmul(Fg_new,invFp_new),invFi_new)
|
Fe_new = matmul(matmul(Fg_new,invFp_new),invFi_new)
|
||||||
|
|
@ -1244,21 +1025,6 @@ logical function integrateStress(ipc,ip,el,timeFraction)
|
||||||
crystallite_invFp(1:3,1:3,ipc,ip,el) = invFp_new
|
crystallite_invFp(1:3,1:3,ipc,ip,el) = invFp_new
|
||||||
crystallite_invFi(1:3,1:3,ipc,ip,el) = invFi_new
|
crystallite_invFi(1:3,1:3,ipc,ip,el) = invFi_new
|
||||||
|
|
||||||
#ifdef DEBUG
|
|
||||||
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0 &
|
|
||||||
.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
|
|
||||||
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0)) then
|
|
||||||
write(6,'(a,/)') '<< CRYST integrateStress >> successful integration'
|
|
||||||
write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST integrateStress >> P / MPa', &
|
|
||||||
transpose(crystallite_P(1:3,1:3,ipc,ip,el))*1.0e-6_pReal
|
|
||||||
write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST integrateStress >> Cauchy / MPa', &
|
|
||||||
matmul(crystallite_P(1:3,1:3,ipc,ip,el), transpose(Fg_new)) * 1.0e-6_pReal / math_det33(Fg_new)
|
|
||||||
write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST integrateStress >> Fe Lp Fe^-1', &
|
|
||||||
transpose(matmul(Fe_new, matmul(crystallite_Lp(1:3,1:3,ipc,ip,el), math_inv33(Fe_new))))
|
|
||||||
write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST integrateStress >> Fp',transpose(crystallite_Fp(1:3,1:3,ipc,ip,el))
|
|
||||||
write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST integrateStress >> Fi',transpose(crystallite_Fi(1:3,1:3,ipc,ip,el))
|
|
||||||
endif
|
|
||||||
#endif
|
|
||||||
|
|
||||||
end function integrateStress
|
end function integrateStress
|
||||||
|
|
||||||
|
|
|
||||||
Loading…
Reference in New Issue