homogenization_RGC.f90 >> just switching-off one of the debugging statement.
crystallite.f90 >> optimizing the perturbation algorithm for local tangent.
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@ -19,7 +19,7 @@ implicit none
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! ****************************************************************
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! *** General variables for the crystallite calculation ***
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! ****************************************************************
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integer(pInt), parameter :: crystallite_Nresults = 5_pInt ! phaseID, volume, Euler angles, def gradient
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integer(pInt), parameter :: crystallite_Nresults = 14_pInt ! phaseID, volume, Euler angles, def gradient
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real(pReal), dimension (:,:,:), allocatable :: crystallite_dt, & ! requested time increment of each grain
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crystallite_subdt, & ! substepped time increment of each grain
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@ -292,7 +292,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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!*** output variables ***!
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!*** local variables ***!
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real(pReal) myTemperature ! local copy of the temperature
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real(pReal) myTemperature, & ! local copy of the temperature
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myPert ! perturbation with correct sign
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real(pReal), dimension(3,3) :: invFp, & ! inverse of the plastic deformation gradient
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Fe_guess, & ! guess for elastic deformation gradient
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Tstar ! 2nd Piola-Kirchhoff stress tensor
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@ -303,6 +304,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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g, gg, & ! grain index
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k, &
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l, &
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perturbation , & ! loop counter for forward,backward perturbation mode
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comp, &
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myNgrains, &
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mySizeState, &
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@ -313,7 +315,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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stateConverged, & ! flag indicating if state converged
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converged ! flag indicating if iteration converged
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real(pReal), dimension(9,9) :: dPdF99
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real(pReal), dimension(3,3,3,3) :: dPdF_pos,dPdF_neg
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real(pReal), dimension(3,3,3,3,2) :: dPdF_perturbation
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real(pReal), dimension(constitutive_maxSizeDotState) :: delta_dotState1, & ! difference between current and previous dotstate
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delta_dotState2 ! difference between previousDotState and previousDotState2
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real(pReal) dot_prod12, &
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@ -386,7 +388,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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myNgrains = homogenization_Ngrains(mesh_element(3,e))
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do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
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do g = 1,myNgrains
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debugger = (e == 1 .and. i == 1 .and. g == 1)
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! debugger = (e == 1 .and. i == 1 .and. g == 1)
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if (crystallite_converged(g,i,e)) then
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if (debugger) then
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!$OMP CRITICAL (write2out)
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@ -447,8 +449,6 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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.and. crystallite_onTrack &
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.and. .not. crystallite_converged)
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crystallite_statedamper = 1.0_pReal
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! --+>> preguess for state <<+--
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!
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! incrementing by crystallite_subdt
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@ -483,7 +483,9 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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endif
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enddo; enddo; enddo
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!$OMPEND PARALLEL DO
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crystallite_statedamper = 1.0_pReal
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!$OMP PARALLEL DO
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do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
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myNgrains = homogenization_Ngrains(mesh_element(3,e))
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@ -506,7 +508,6 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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.and. NiterationState < nState) ! convergence loop for crystallite
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NiterationState = NiterationState + 1_pInt
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! --+>> stress integration <<+--
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!
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! incrementing by crystallite_subdt
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@ -522,10 +523,9 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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! debugger = (e == 1 .and. i == 1 .and. g == 1)
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if (crystallite_todo(g,i,e)) & ! all undone crystallites
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crystallite_onTrack(g,i,e) = crystallite_integrateStress(g,i,e)
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enddo
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enddo
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enddo
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enddo; enddo; enddo
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!$OMPEND PARALLEL DO
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if (debugger) then
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!$OMP CRITICAL (write2out)
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write(6,*) count(crystallite_onTrack(:,:,:)),'grains onTrack after stress integration'
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@ -533,6 +533,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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endif
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crystallite_todo = crystallite_todo .and. crystallite_onTrack ! continue with non-broken grains
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if (any(.not. crystallite_onTrack .and. .not. crystallite_localConstitution)) & ! any non-local is broken?
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crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! all nonlocal crystallites can be skipped
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@ -562,7 +563,9 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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endif
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enddo; enddo; enddo
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!$OMPEND PARALLEL DO
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crystallite_statedamper = 1.0_pReal
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!$OMP PARALLEL DO
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do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
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myNgrains = homogenization_Ngrains(mesh_element(3,e))
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@ -585,6 +588,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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endif
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enddo; enddo; enddo
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!$OMPEND PARALLEL DO
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!$OMP PARALLEL DO
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do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
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myNgrains = homogenization_Ngrains(mesh_element(3,e))
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@ -628,13 +632,11 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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endif
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enddo ! crystallite convergence loop
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NiterationCrystallite = NiterationCrystallite + 1
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enddo ! cutback loop
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! ------ check for non-converged crystallites ------
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!$OMP PARALLEL DO
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do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
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myNgrains = homogenization_Ngrains(mesh_element(3,e))
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@ -689,6 +691,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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myNgrains = homogenization_Ngrains(mesh_element(3,e))
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do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
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do g = 1,myNgrains
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! debugger = (e==1 .and. i==1 .and. g==1)
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if (crystallite_requested(g,i,e)) then ! first check whether is requested at all!
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if (crystallite_converged(g,i,e)) then ! grain converged in above iteration
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if (debugger) then
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@ -702,10 +705,12 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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!$OMPEND CRITICAL (write2out)
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endif
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if (pert_method == 1_pInt .or. pert_method == 3_pInt) then ! <<< when forward or central difference is desired >>>
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do perturbation = 1,2
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if (iand(pert_method,perturbation) > 0) then
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myPert = -pert_Fg * (-1.0_pReal)**perturbation ! forward or backward perturbation
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do k = 1,3 ! perturbation...
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do l = 1,3 ! ...components to the positive direction
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crystallite_subF(k,l,g,i,e) = crystallite_subF(k,l,g,i,e) + pert_Fg ! perturb single component
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crystallite_subF(k,l,g,i,e) = crystallite_subF(k,l,g,i,e) + myPert ! perturb single component (either forward or backward)
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if (debugger) then
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!$OMP CRITICAL (write2out)
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write (6,'(i1,x,i1)') k,l
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@ -732,106 +737,41 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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!$OMP CRITICAL (write2out)
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write (6,*) '-------------'
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write (6,'(a,x,l,x,l)') 'ontrack + converged:',onTrack,converged
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write (6,'(a,/,3(3(f12.4,x)/))') 'pertP of 1 1 1',crystallite_P(1:3,:,g,i,e)/1e6
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write (6,'(a,/,3(3(f12.4,x)/))') 'DP of 1 1 1',(crystallite_P(1:3,:,g,i,e)-storedP(1:3,:,g,i,e))/1e6
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write (6,'(a,/,3(3(f12.4,x)/))') 'pertP/MPa of 1 1 1',crystallite_P(1:3,:,g,i,e)/1e6
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write (6,'(a,/,3(3(f12.4,x)/))') 'DP/MPa of 1 1 1',(crystallite_P(1:3,:,g,i,e)-storedP(1:3,:,g,i,e))/1e6
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!$OMPEND CRITICAL (write2out)
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endif
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enddo
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if (converged) then ! converged state warrants stiffness update
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dPdF_pos(:,:,k,l) = (crystallite_P(:,:,g,i,e) - storedP(:,:,g,i,e))/pert_Fg ! tangent dP_ij/dFg_kl
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if (pert_method == 1_pInt) crystallite_dPdF(:,:,k,l,g,i,e) = dPdF_pos(:,:,k,l)
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endif
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do ee = FEsolving_execElem(1),FEsolving_execElem(2)
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myNgrains = homogenization_Ngrains(mesh_element(3,ee))
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do ii = FEsolving_execIP(1,ee),FEsolving_execIP(2,ee)
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do gg = 1,myNgrains
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mySizeState = constitutive_sizeState(gg,ii,ee) ! number of state variables for this grain
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mySizeDotState = constitutive_sizeDotState(gg,ii,ee) ! number of dotStates for this grain
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constitutive_state(gg,ii,ee)%p = storedState(1:mySizeState,gg,ii,ee)
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constitutive_dotState(gg,ii,ee)%p = storedDotState(1:mySizeDotState,gg,ii,ee)
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crystallite_Temperature(gg,ii,ee) = storedTemperature(gg,ii,ee)
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crystallite_subF(:,:,gg,ii,ee) = storedF(:,:,gg,ii,ee)
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crystallite_Fp(:,:,gg,ii,ee) = storedFp(:,:,gg,ii,ee)
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crystallite_invFp(:,:,gg,ii,ee) = storedInvFp(:,:,gg,ii,ee)
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crystallite_Fe(:,:,gg,ii,ee) = storedFe(:,:,gg,ii,ee)
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crystallite_Lp(:,:,gg,ii,ee) = storedLp(:,:,gg,ii,ee)
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crystallite_Tstar_v(:,gg,ii,ee) = storedTstar_v(:,gg,ii,ee)
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crystallite_P(:,:,gg,ii,ee) = storedP(:,:,gg,ii,ee)
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enddo; enddo; enddo
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if (converged) & ! converged state warrants stiffness update
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dPdF_perturbation(:,:,k,l,perturbation) = (crystallite_P(:,:,g,i,e) - storedP(:,:,g,i,e))/myPert ! tangent dP_ij/dFg_kl
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mySizeState = constitutive_sizeState(g,i,e) ! number of state variables for this grain
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mySizeDotState = constitutive_sizeDotState(g,i,e) ! number of dotStates for this grain
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constitutive_state(g,i,e)%p = storedState(1:mySizeState,g,i,e)
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constitutive_dotState(g,i,e)%p = storedDotState(1:mySizeDotState,g,i,e)
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crystallite_Temperature(g,i,e) = storedTemperature(g,i,e)
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crystallite_subF(:,:,g,i,e) = storedF(:,:,g,i,e)
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crystallite_Fp(:,:,g,i,e) = storedFp(:,:,g,i,e)
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crystallite_invFp(:,:,g,i,e) = storedInvFp(:,:,g,i,e)
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crystallite_Fe(:,:,g,i,e) = storedFe(:,:,g,i,e)
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crystallite_Lp(:,:,g,i,e) = storedLp(:,:,g,i,e)
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crystallite_Tstar_v(:,g,i,e) = storedTstar_v(:,g,i,e)
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crystallite_P(:,:,g,i,e) = storedP(:,:,g,i,e)
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!$OMP CRITICAL (out)
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debug_StiffnessStateLoopDistribution(NiterationState) = &
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debug_StiffnessstateLoopDistribution(NiterationState) + 1
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!$OMPEND CRITICAL (out)
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enddo
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enddo
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enddo; enddo
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endif
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if (pert_method == 2_pInt .or. pert_method == 3_pInt) then ! <<< when backward or central difference is desired >>>
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do k = 1,3 ! perturbation...
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do l = 1,3 ! ...components to the negative direction
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crystallite_subF(k,l,g,i,e) = crystallite_subF(k,l,g,i,e) - pert_Fg ! perturb single component
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if (debugger) then
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!$OMP CRITICAL (write2out)
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write (6,'(i1,x,i1)') k,l
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write (6,'(a,/,3(3(f12.6,x)/))') 'pertF of 1 1 1',crystallite_subF(1:3,:,g,i,e)
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!$OMPEND CRITICAL (write2out)
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endif
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onTrack = .true.
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converged = .false.
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NiterationState = 0_pInt
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do while(.not. converged .and. onTrack .and. NiterationState < nState) ! keep cycling until done (potentially non-converged)
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NiterationState = NiterationState + 1_pInt
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onTrack = crystallite_integrateStress(g,i,e) ! stress of perturbed situation (overwrites _P,_Tstar_v,_Fp,_Lp,_Fe)
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if (onTrack) then
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constitutive_dotState(g,i,e)%p = 0.0_pReal
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call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), &
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crystallite_Fe, crystallite_Fp, crystallite_Temperature(g,i,e), &
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crystallite_misorientation(:,:,g,i,e), crystallite_subdt(g,i,e), &
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g, i, e)
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stateConverged = crystallite_updateState(g,i,e) ! update state
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temperatureConverged = crystallite_updateTemperature(g,i,e) ! update temperature
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converged = stateConverged .and. temperatureConverged
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endif
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if (debugger) then
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!$OMP CRITICAL (write2out)
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write (6,*) '-------------'
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write (6,'(a,x,l,x,l)') 'ontrack + converged:',onTrack,converged
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write (6,'(a,/,3(3(f12.4,x)/))') 'pertP of 1 1 1',crystallite_P(1:3,:,g,i,e)/1e6
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write (6,'(a,/,3(3(f12.4,x)/))') 'DP of 1 1 1',(crystallite_P(1:3,:,g,i,e)-storedP(1:3,:,g,i,e))/1e6
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!$OMPEND CRITICAL (write2out)
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endif
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enddo
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if (converged) then ! converged state warrants stiffness update
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dPdF_neg(:,:,k,l) = (storedP(:,:,g,i,e) - crystallite_P(:,:,g,i,e))/pert_Fg ! tangent dP_ij/dFg_kl
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if (pert_method == 2_pInt) crystallite_dPdF(:,:,k,l,g,i,e) = dPdF_neg(:,:,k,l)
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endif
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do ee = FEsolving_execElem(1),FEsolving_execElem(2)
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myNgrains = homogenization_Ngrains(mesh_element(3,ee))
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do ii = FEsolving_execIP(1,ee),FEsolving_execIP(2,ee)
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do gg = 1,myNgrains
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mySizeState = constitutive_sizeState(gg,ii,ee) ! number of state variables for this grain
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mySizeDotState = constitutive_sizeDotState(gg,ii,ee) ! number of dotStates for this grain
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constitutive_state(gg,ii,ee)%p = storedState(1:mySizeState,gg,ii,ee)
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constitutive_dotState(gg,ii,ee)%p = storedDotState(1:mySizeDotState,gg,ii,ee)
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crystallite_Temperature(gg,ii,ee) = storedTemperature(gg,ii,ee)
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crystallite_subF(:,:,gg,ii,ee) = storedF(:,:,gg,ii,ee)
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crystallite_Fp(:,:,gg,ii,ee) = storedFp(:,:,gg,ii,ee)
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crystallite_invFp(:,:,gg,ii,ee) = storedInvFp(:,:,gg,ii,ee)
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crystallite_Fe(:,:,gg,ii,ee) = storedFe(:,:,gg,ii,ee)
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crystallite_Lp(:,:,gg,ii,ee) = storedLp(:,:,gg,ii,ee)
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crystallite_Tstar_v(:,gg,ii,ee) = storedTstar_v(:,gg,ii,ee)
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crystallite_P(:,:,gg,ii,ee) = storedP(:,:,gg,ii,ee)
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enddo; enddo; enddo
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!$OMP CRITICAL (out)
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debug_StiffnessStateLoopDistribution(NiterationState) = &
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debug_StiffnessstateLoopDistribution(NiterationState) + 1
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!$OMPEND CRITICAL (out)
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enddo
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enddo
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endif
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if (pert_method == 3_pInt) crystallite_dPdF(:,:,:,:,g,i,e) = 0.5_pReal*(dPdF_neg + dPdF_pos)
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enddo ! perturbation direction
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select case(pert_method)
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case (1)
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crystallite_dPdF(:,:,:,:,g,i,e) = dPdF_perturbation(:,:,:,:,1)
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case (2)
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crystallite_dPdF(:,:,:,:,g,i,e) = dPdF_perturbation(:,:,:,:,2)
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case (3)
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crystallite_dPdF(:,:,:,:,g,i,e) = 0.5_pReal*(dPdF_perturbation(:,:,:,:,1)+dPdF_perturbation(:,:,:,:,2))
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end select
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else ! grain did not converge
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crystallite_dPdF(:,:,:,:,g,i,e) = crystallite_fallbackdPdF(:,:,:,:,g,i,e) ! use (elastic) fallback
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endif ! grain convergence
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@ -334,7 +334,7 @@ function homogenization_RGC_updateState(&
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call homogenization_RGC_volumePenalty(D,volDiscrep,F,avgF,ip,el,homID)
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!* Debugging the mismatch, stress and penalties of grains
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if (el == 1 .and. ip == 1) then
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if (RGCdebug) then
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do iGrain = 1,nGrain
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write(6,'(x,a30,x,i3,x,a4,x,e14.8)')'Mismatch magnitude of grain(',iGrain,') :',NN(iGrain)
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write(6,*)' '
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