adapted crystallite_stressAndItsTangent to do a pre-guess for the state before the actual state loop (with order stress integration, state update)

trunk/crystallite.f90

@@ -48,9 +48,7 @@ MODULE crystallite
  logical, dimension (:,:,:),      allocatable :: crystallite_localConstitution, & ! indicates this grain to have purely local constitutive law
                                                  crystallite_requested, &         ! flag to request crystallite calculation
                                                  crystallite_onTrack, &           ! flag to indicate ongoing calculation
-                                                 crystallite_converged, &         ! convergence flag
+                                                 crystallite_converged            ! convergence flag
-                                                 crystallite_stressConverged, &   ! convergence flag for stress
-                                                 crystallite_stateConverged       ! convergence flag for state
 
 
  CONTAINS
@@ -155,8 +153,6 @@ MODULE crystallite
  allocate(crystallite_localConstitution(gMax,iMax,eMax));
  allocate(crystallite_requested(gMax,iMax,eMax));               crystallite_requested = .false.
  allocate(crystallite_onTrack(gMax,iMax,eMax));                   crystallite_onTrack = .false.
- allocate(crystallite_stressConverged(gMax,iMax,eMax));   crystallite_stressConverged = .false.
- allocate(crystallite_stateConverged(gMax,iMax,eMax));     crystallite_stateConverged = .false.
  allocate(crystallite_converged(gMax,iMax,eMax));               crystallite_converged = .true.
 
 !$OMP PARALLEL DO
@@ -211,8 +207,6 @@ MODULE crystallite
  write(6,'(a32,x,7(i5,x))') 'crystallite_localConstitution: ', shape(crystallite_localConstitution)
  write(6,'(a32,x,7(i5,x))') 'crystallite_requested:         ', shape(crystallite_requested)
  write(6,'(a32,x,7(i5,x))') 'crystallite_onTrack:           ', shape(crystallite_onTrack)
- write(6,'(a32,x,7(i5,x))') 'crystallite_stressConverged:   ', shape(crystallite_stressConverged)
- write(6,'(a32,x,7(i5,x))') 'crystallite_stateConverged:    ', shape(crystallite_stateConverged)
  write(6,'(a32,x,7(i5,x))') 'crystallite_converged:         ', shape(crystallite_converged)
  write(6,*)
  write(6,*) 'Number of non-local grains: ',count(.not. crystallite_localConstitution)
@@ -315,8 +309,6 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
  ! crystallite_localConstitution
  ! crystallite_requested
  ! crystallite_onTrack
- ! crystallite_stressConverged
- ! crystallite_stateConverged
  ! crystallite_converged
  
  !*** global functions or subroutines ***!
@@ -355,7 +347,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
  enddo
  !$OMPEND PARALLEL DO
 
-! ------ cutback loop ------
+ ! --+>> crystallite loop <<+--
 
  NiterationCrystallite = 0_pInt
 
@@ -424,24 +416,14 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
    enddo
    !$OMPEND PARALLEL DO
 
-! ------ convergence loop for stress and state ------
+   ! --+>> preguess for state <<+--
-
-   NiterationState = 1_pInt
-   if (debugger)  write(6,*) 'state integration started'
-   
-   do while (any(            crystallite_requested(:,:,FEsolving_execELem(1):FEsolving_execElem(2)) &
-                 .and.       crystallite_onTrack(:,:,FEsolving_execELem(1):FEsolving_execElem(2)) &
-                 .and. .not. crystallite_converged(:,:,FEsolving_execELem(1):FEsolving_execElem(2)) &
-                ) .and. NiterationState < nState)                   ! convergence loop for crystallite
-     
-     NiterationState = NiterationState + 1
-
-! --+>> state integration <<+--
    !
    ! incrementing by crystallite_subdt
    ! based on constitutive_subState0
    ! results in constitutive_state
    
+   if (debugger)  write(6,*) 'state integration started'
+   
    !$OMP PARALLEL DO
    do e = FEsolving_execElem(1),FEsolving_execElem(2)             ! iterate over elements to be processed
      myNgrains = homogenization_Ngrains(mesh_element(3,e))
@@ -449,13 +431,26 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
        do g = 1,myNgrains
          if (             crystallite_requested(g,i,e) & 
               .and.       crystallite_onTrack(g,i,e) &
-                .and. .not. crystallite_converged(g,i,e)) &         ! all undone crystallites
+              .and. .not. crystallite_converged(g,i,e)) then      ! all undone crystallites
-             crystallite_stateConverged(g,i,e) = crystallite_updateState(g,i,e)
+           crystallite_converged(g,i,e) = crystallite_updateState(g,i,e)
+           crystallite_converged(g,i,e) = .false.                 ! force at least one iteration step even if state already converged
+         endif
        enddo
      enddo
    enddo
    !$OMPEND PARALLEL DO
    
+   ! --+>> state loop <<+--
+   
+   NiterationState = 0_pInt
+   
+   do while ( any(            crystallite_requested(:,:,FEsolving_execELem(1):FEsolving_execElem(2)) &
+                  .and.       crystallite_onTrack(:,:,FEsolving_execELem(1):FEsolving_execElem(2)) &
+                  .and. .not. crystallite_converged(:,:,FEsolving_execELem(1):FEsolving_execElem(2)) ) &
+             .and. NiterationState < nState)                   ! convergence loop for crystallite
+     
+     NiterationState = NiterationState + 1_pInt
+
      ! --+>> stress integration <<+--
      !
      ! incrementing by crystallite_subdt
@@ -464,6 +459,26 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
      !          to account for substepping within _integrateStress
      ! results in crystallite_Fp,.._Lp
      
+     !$OMP PARALLEL DO
+     do e = FEsolving_execElem(1),FEsolving_execElem(2)             ! iterate over elements to be processed
+       myNgrains = homogenization_Ngrains(mesh_element(3,e))
+       do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)           ! iterate over IPs of this element to be processed
+         do g = 1,myNgrains
+           if (             crystallite_requested(g,i,e) & 
+                .and.       crystallite_onTrack(g,i,e) &
+                .and. .not. crystallite_converged(g,i,e) ) &        ! all undone crystallites
+             crystallite_onTrack(g,i,e) = crystallite_integrateStress(g,i,e)
+         enddo
+       enddo
+     enddo
+     !$OMPEND PARALLEL DO
+     
+     ! --+>> state integration <<+--
+     !
+     ! incrementing by crystallite_subdt
+     ! based on constitutive_subState0
+     ! results in constitutive_state
+
      !$OMP PARALLEL DO
      do e = FEsolving_execElem(1),FEsolving_execElem(2)             ! iterate over elements to be processed
        myNgrains = homogenization_Ngrains(mesh_element(3,e))
@@ -472,9 +487,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
            if (             crystallite_requested(g,i,e) & 
                 .and.       crystallite_onTrack(g,i,e) &
                 .and. .not. crystallite_converged(g,i,e)) then      ! all undone crystallites
-             crystallite_stressConverged(g,i,e) = crystallite_integrateStress(g,i,e)
+             crystallite_converged(g,i,e) = crystallite_updateState(g,i,e)
-             crystallite_onTrack(g,i,e) = crystallite_stressConverged(g,i,e)
-             crystallite_converged(g,i,e) = crystallite_stateConverged(g,i,e) .and. crystallite_stressConverged(g,i,e)
              if (crystallite_converged(g,i,e)) then
                !$OMP CRITICAL (distributionState)
                debug_StateLoopDistribution(NiterationState) = debug_StateLoopDistribution(NiterationState) + 1
@@ -520,7 +533,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
  enddo
  !$OMPEND PARALLEL DO
 
-! ------ stiffness calculation ------
+! --+>> stiffness calculation <<+--
 
  if(updateJaco) then                                                ! Jacobian required
    if (debugger) write (6,*) 'Stiffness calculation started'
@@ -551,21 +564,20 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
              do l = 1,3                                             ! ...components
                crystallite_subF(:,:,g,i,e) = myF                    ! initialize perturbed F to match converged
                crystallite_subF(k,l,g,i,e) = crystallite_subF(k,l,g,i,e) + pert_Fg  ! perturb single component
-               onTrack = .true.
-               converged = .false.
-               NiterationState = 0_pInt
                if (debugger) then
                  write (6,*) '============='
                  write (6,'(i1,x,i1)') k,l
                  write (6,*) '============='
                  write (6,'(a,/,3(3(f12.6,x)/))') 'pertF of 1 1 1',crystallite_subF(1:3,:,g,i,e)
                endif
+               onTrack = .true.
+               converged = .false.
+               NiterationState = 0_pInt
                do while(.not. converged .and. onTrack .and. NiterationState < nState) ! keep cycling until done (potentially non-converged)
                  NiterationState = NiterationState + 1_pInt
                  if (debugger) write (6,'(a4,x,i6)') 'loop',NiterationState
-                 converged = crystallite_updateState(g,i,e)         ! update state
                  onTrack = crystallite_integrateStress(g,i,e)       ! stress of perturbed situation (overwrites _P,_Tstar_v,_Fp,_Lp,_Fe)
-                 converged = converged .and. onTrack 
+                 if (onTrack) converged = crystallite_updateState(g,i,e) ! update state
                  if (debugger) then
                  write (6,*) '-------------'
                    write (6,'(l,x,l)') onTrack,converged

trunk/documentation/NSD/crystallite_stressAndItsTangent.pdf

@@ -9,8 +9,8 @@
       /Keywords ()
       /Creator (FreeHEP Graphics2D Driver)
       /Producer (org.freehep.graphicsio.pdf.PDFGraphics2D Revision: 10516 )
-      /CreationDate (D:20090609115952+02'00')
+      /CreationDate (D:20090610154844+02'00')
-      /ModDate (D:20090609115952+02'00')
+      /ModDate (D:20090610154844+02'00')
       /Trapped /False
    >>
 endobj

trunk/documentation/NSD/crystallite_stressAndItsTangent_CrystalliteLoop.nsd

@@ -32,21 +32,21 @@
 			<qFalse>
 			</qFalse>
 		</alternative>
+		<call text="&#34;crystallite_updateState&#34;" comment="&#34;&#34;" color="ffffff"></call>
 		<instruction text="&#34;NiterationState = 0&#34;" comment="" color="ffffff" rotated="0"></instruction>
 		<for text="&#34;STATE LOOP: any: crystallite_requested .and. crystallite_onTrack .and. .not. crystallite_converged&#34;,&#34;                          .and. NiterationState &#60; ncryst&#34;" comment="" color="ffffff">
 			<qFor>
 				<instruction text="&#34;NiterationState = NiterationState + 1&#34;" comment="" color="ffffff" rotated="0"></instruction>
-				<alternative text="&#34;crystallite_requested .and. crystallite_onTrack .and. .not. crystallite_converged&#34;" comment="&#34;&#34;" color="ffffff">
+				<alternative text="&#34;crystallite_requested .and. crystallite_onTrack .and. .not. crystallite_converged&#34;" comment="" color="ffffff">
 					<qTrue>
-						<call text="&#34;crystallite_stateConverged = crystallite_updateState&#34;" comment="&#34;&#34;" color="ffffff"></call>
+						<call text="&#34;crystallite_onTrack = crystallite_integrateStress&#34;" comment="&#34;&#34;" color="ffffff"></call>
 					</qTrue>
 					<qFalse>
 					</qFalse>
 				</alternative>
-				<alternative text="&#34;crystallite_requested .and. crystallite_onTrack .and. .not. crystallite_converged&#34;" comment="&#34;&#34;" color="ffffff">
+				<alternative text="&#34;crystallite_requested .and. crystallite_onTrack .and. .not. crystallite_converged&#34;" comment="" color="ffffff">
 					<qTrue>
-						<call text="&#34;crystallite_stressConverged = crystallite_integrateStress&#34;" comment="&#34;&#34;" color="ffffff"></call>
+						<call text="&#34;crystallite_converged = crystallite_updateState&#34;" comment="&#34;&#34;" color="ffffff"></call>
-						<instruction text="&#34;crystallite_onTrack = crystallite_stressConverged&#34;,&#34;crystallite_converged = crystallite_stateConverged .and. crystallite_stressConverged&#34;" comment="&#34;&#34;" color="ffffff" rotated="0"></instruction>
 					</qTrue>
 					<qFalse>
 					</qFalse>

trunk/documentation/NSD/crystallite_stressAndItsTangent_StiffnessCalculation.nsd

@@ -13,9 +13,14 @@
 								<for text="&#34;STIFFNESS LOOP: .not. converged .and. onTrack .and. NiterationState &#60; nState&#34;" comment="" color="ffffff">
 									<qFor>
 										<instruction text="&#34;NiterationState = NiterationState + 1&#34;" comment="" color="ffffff" rotated="0"></instruction>
-										<call text="&#34;converged = crystallite_updateState&#34;" comment="" color="ffffff"></call>
 										<call text="&#34;onTrack = crystallite_integrateStress&#34;" comment="" color="ffffff"></call>
-										<instruction text="&#34;converged = onTrack .and. converged&#34;" comment="&#34;&#34;" color="ffffff" rotated="0"></instruction>
+										<alternative text="&#34;onTrack&#34;" comment="&#34;&#34;" color="ffffff">
+											<qTrue>
+												<call text="&#34;converged = crystallite_updateState&#34;" comment="" color="ffffff"></call>
+											</qTrue>
+											<qFalse>
+											</qFalse>
+										</alternative>
 									</qFor>
 								</for>
 								<alternative text="&#34;converged&#34;" comment="" color="ffffff">