1) added distribution of leapfrog breaks
2) lattice_symmetryType is now a function (former lookup array was buggy) 3) stricter check of state var values (>0!) and memory deallocation done
This commit is contained in:
Philip Eisenlohr
parent
e562df35a9
commit
b259fbd9c6
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@ -95,7 +95,7 @@ subroutine crystallite_init(Temperature)
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mesh_maxNipNeighbors
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use IO
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use material
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use lattice, only: lattice_symmetryTypes
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use lattice, only: lattice_symmetryType
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use constitutive_phenopowerlaw, only: constitutive_phenopowerlaw_label, &
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constitutive_phenopowerlaw_structure
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use constitutive_titanmod, only: constitutive_titanmod_label, &
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@ -302,7 +302,7 @@ subroutine crystallite_init(Temperature)
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myStructure = -1_pInt ! does this happen for j2 material?
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end select
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if (myStructure>0_pInt) then
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crystallite_symmetryID(g,i,e)=lattice_symmetryTypes(myStructure) ! structure = 1(fcc) or 2(bcc) => 1; 3(hex)=>2
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crystallite_symmetryID(g,i,e) = lattice_symmetryType(myStructure) ! structure = 1(fcc) or 2(bcc) => 1; 3+(hex)=>2
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endif
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enddo
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enddo
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@ -1257,7 +1257,8 @@ endsubroutine
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verboseDebugger, &
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debug_cumLpCalls, &
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debug_cumLpTicks, &
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debug_StressLoopDistribution
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debug_StressLoopDistribution, &
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debug_LeapfrogBreakDistribution
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use constitutive, only: constitutive_homogenizedC, &
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constitutive_LpAndItsTangent
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use math, only: math_mul33x33, &
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@ -1421,9 +1422,11 @@ LpLoop: do
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! NaN occured at regular speed?
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if (any(residuum/=residuum) .and. leapfrog == 1.0) then
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if (verboseDebugger) then
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if (debugger) then
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!$OMP CRITICAL (write2out)
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write(6,'(a,i3,x,i2,x,i5,x,a,x,i3)') '::: integrateStress encountered NaN at ',g,i,e,' ; iteration ', NiterationStress
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write(6,'(a,i3,x,i2,x,i5,x,a,i3,x,a)') '::: integrateStress encountered NaN at ',g,i,e,&
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'; iteration ', NiterationStress, &
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'>> returning..!'
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!$OMPEND CRITICAL (write2out)
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endif
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return
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@ -1437,8 +1440,8 @@ LpLoop: do
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) then
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if (verboseDebugger) then
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!$OMP CRITICAL (write2out)
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write(6,'(a,i3,x,i2,x,i5,x,a,x,i3)') '::: integrateStress encountered high-speed crash at ',g,i,e,' ; iteration ', &
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NiterationStress
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write(6,'(a,i3,x,i2,x,i5,x,a,i3)') '::: integrateStress encountered high-speed crash at ',g,i,e,&
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'; iteration ', NiterationStress
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!$OMPEND CRITICAL (write2out)
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endif
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maxleap = 0.5_pReal * leapfrog ! limit next acceleration
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@ -1449,6 +1452,8 @@ LpLoop: do
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Lpguess = Lpguess_old
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residuum = residuum_old
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debug_LeapfrogBreakDistribution(NiterationStress,mode) = debug_LeapfrogBreakDistribution(NiterationStress,mode) + 1
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! residuum got better
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else
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! calculate Jacobian for correction term
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@ -1465,8 +1470,8 @@ LpLoop: do
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if (error) then
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if (verboseDebugger .and. selectiveDebugger) then
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!$OMP CRITICAL (write2out)
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write(6,'(a,i3,x,i2,x,i5,x,a,x,i3)') '::: integrateStress failed on dR/dLp inversion at ',g,i,e, &
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' ; iteration ', NiterationStress
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write(6,'(a,i3,x,i2,x,i5,x,a,i3)') '::: integrateStress failed on dR/dLp inversion at ',g,i,e, &
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'; iteration ', NiterationStress
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write(6,*)
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write(6,'(a,/,9(9(e15.3,x)/))') 'dRdLp',dRdLp
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write(6,'(a,/,9(9(e15.3,x)/))') 'dLpdT_constitutive',dLpdT_constitutive
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@ -1476,10 +1481,10 @@ LpLoop: do
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endif
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return
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else
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if (.false. .and. verboseDebugger .and. selectiveDebugger) then
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if (verboseDebugger .and. selectiveDebugger) then
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!$OMP CRITICAL (write2out)
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write(6,'(a,i3,x,i2,x,i5,x,a,x,i3)') '::: integrateStress did dR/dLp inversion at ',g,i,e, &
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' ; iteration ', NiterationStress
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write(6,'(a,i3,x,i2,x,i5,x,a,i3)') '::: integrateStress did dR/dLp inversion at ',g,i,e, &
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'; iteration ', NiterationStress
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write(6,*)
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write(6,'(a,/,9(9(e15.3,x)/))') 'dRdLp',dRdLp
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write(6,'(a,/,9(9(e15.3,x)/))') 'dLpdT_constitutive',dLpdT_constitutive
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@ -1499,7 +1504,6 @@ LpLoop: do
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! leapfrog to updated Lp
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do k=1,3; do l=1,3; do m=1,3; do n=1,3
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! forall (k=1:3,l=1:3,m=1:3,n=1:3) &
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Lpguess(k,l) = Lpguess(k,l) - leapfrog*invdRdLp(3*(k-1)+l,3*(m-1)+n)*residuum(m,n)
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enddo; enddo; enddo; enddo
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enddo LpLoop
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@ -8,6 +8,7 @@
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character(len=64), parameter :: debug_configFile = 'debug.config' ! name of configuration file
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integer(pInt), dimension(:,:), allocatable :: debug_StressLoopDistribution
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integer(pInt), dimension(:,:), allocatable :: debug_LeapfrogBreakDistribution
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integer(pInt), dimension(:), allocatable :: debug_CrystalliteStateLoopDistribution
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integer(pInt), dimension(:), allocatable :: debug_StiffnessStateLoopDistribution
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integer(pInt), dimension(:), allocatable :: debug_CrystalliteLoopDistribution
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@ -22,8 +23,8 @@
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integer(pInt) :: debug_e = 1_pInt
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integer(pInt) :: debug_i = 1_pInt
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integer(pInt) :: debug_g = 1_pInt
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logical :: selectiveDebugger = .false.
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logical :: verboseDebugger = .true.
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logical :: selectiveDebugger = .true.
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logical :: verboseDebugger = .false.
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logical :: debugger = .true.
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logical :: distribution_init = .false.
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@ -68,6 +69,7 @@ subroutine debug_init()
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write(6,*)
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allocate(debug_StressLoopDistribution(nStress,2)) ; debug_StressLoopDistribution = 0_pInt
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allocate(debug_LeapfrogBreakDistribution(nStress,2)) ; debug_LeapfrogBreakDistribution = 0_pInt
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allocate(debug_CrystalliteStateLoopDistribution(nState)) ; debug_CrystalliteStateLoopDistribution = 0_pInt
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allocate(debug_StiffnessStateLoopDistribution(nState)) ; debug_StiffnessStateLoopDistribution = 0_pInt
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allocate(debug_CrystalliteLoopDistribution(nCryst+1)) ; debug_CrystalliteLoopDistribution = 0_pInt
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@ -120,6 +122,10 @@ subroutine debug_init()
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write(6,'(a24,x,i8)') ' element: ',debug_e
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write(6,'(a24,x,i8)') ' ip: ',debug_i
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write(6,'(a24,x,i8)') ' grain: ',debug_g
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else
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debug_e = 0_pInt ! switch off selective debugging
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debug_i = 0_pInt
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debug_g = 0_pInt
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endif
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@ -134,6 +140,7 @@ subroutine debug_reset()
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implicit none
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debug_StressLoopDistribution = 0_pInt ! initialize debugging data
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debug_LeapfrogBreakDistribution = 0_pInt
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debug_CrystalliteStateLoopDistribution = 0_pInt
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debug_StiffnessStateLoopDistribution = 0_pInt
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debug_CrystalliteLoopDistribution = 0_pInt
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@ -192,16 +199,18 @@ endsubroutine
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integral = 0_pInt
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write(6,*)
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write(6,*) 'distribution_StressLoop :'
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write(6,*) 'distribution_StressLoop : stress frogbreak stiffness frogbreak'
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do i=1,nStress
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if (debug_StressLoopDistribution(i,1) /= 0 .or. debug_StressLoopDistribution(i,2) /= 0) then
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if (any(debug_StressLoopDistribution(i,:) /= 0_pInt ) .or. &
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any(debug_LeapfrogBreakDistribution(i,:) /= 0_pInt ) ) then
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integral = integral + i*debug_StressLoopDistribution(i,1) + i*debug_StressLoopDistribution(i,2)
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write(6,'(i25,x,i10,x,i10)') i,debug_StressLoopDistribution(i,1),debug_StressLoopDistribution(i,2)
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write(6,'(i25,x,i10,x,i10,x,i10,x,i10)') i,debug_StressLoopDistribution(i,1),debug_LeapfrogBreakDistribution(i,1), &
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debug_StressLoopDistribution(i,2),debug_LeapfrogBreakDistribution(i,2)
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endif
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enddo
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write(6,'(a15,i10,x,i10,x,i10)') ' total',integral,&
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sum(debug_StressLoopDistribution(:,1)), &
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sum(debug_StressLoopDistribution(:,2))
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write(6,'(a15,i10,x,i10,12x,i10)') ' total',integral,&
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sum(debug_StressLoopDistribution(:,1)), &
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sum(debug_StressLoopDistribution(:,2))
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integral = 0_pInt
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write(6,*)
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@ -26,9 +26,6 @@ integer(pInt), parameter :: lattice_maxNslip = 48 ! max # of sli
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integer(pInt), parameter :: lattice_maxNtwin = 24 ! max # of twin systems over lattice structures
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integer(pInt), parameter :: lattice_maxNinteraction = 20 ! max # of interaction types (in hardening matrix part)
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integer(pInt), parameter, dimension(3) :: lattice_symmetryTypes =(/1, 1, 2/) ! maps crystal structures to symmetry tpyes
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integer(pInt), pointer, dimension(:,:) :: interactionSlipSlip, &
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interactionSlipTwin, &
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interactionTwinSlip, &
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@ -661,6 +658,30 @@ CONTAINS
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!* - lattice_initializeStructure
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!****************************************
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pure function lattice_symmetryType(structID)
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!**************************************
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!* maps structure to symmetry type *
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!* fcc(1) and bcc(2) are cubic(1) *
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!* hex(3+) is hexagonal(2) *
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!**************************************
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implicit none
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integer(pInt), intent(in) :: structID
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integer(pInt) lattice_symmetryType
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select case(structID)
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case (1,2)
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lattice_symmetryType = 1_pInt
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case (3:)
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lattice_symmetryType = 2_pInt
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case default
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lattice_symmetryType = 0_pInt
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end select
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return
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end function
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subroutine lattice_init()
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!**************************************
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@ -2522,10 +2522,10 @@ subroutine mesh_marc_count_cpSizes (unit)
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pos = IO_stringPos(line,maxNchunks) ! limit to 64 nodes max (plus ID, type)
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e = mesh_FEasCP('elem',IO_intValue(line,pos,1))
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if (e /= 0) then ! disregard non CP elems
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mesh_element (1,e) = IO_IntValue (line,pos,1) ! FE id
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mesh_element (2,e) = FE_mapElemtype(IO_StringValue(line,pos,2)) ! elem type
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mesh_element(1,e) = IO_IntValue (line,pos,1) ! FE id
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mesh_element(2,e) = FE_mapElemtype(IO_StringValue(line,pos,2)) ! elem type
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forall (j = 1:FE_Nnodes(mesh_element(2,e))) &
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mesh_element(j+4,e) = IO_IntValue(line,pos,j+2) ! copy FE ids of nodes
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mesh_element(j+4,e) = IO_IntValue(line,pos,j+2) ! copy FE ids of nodes
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call IO_skipChunks(unit,FE_NoriginalNodes(mesh_element(2,e))-(pos(1)-2)) ! read on if FE_Nnodes exceeds node count present on current line
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endif
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enddo
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@ -2978,18 +2978,19 @@ subroutine mesh_marc_count_cpSizes (unit)
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integer(pInt) i,e,n,f,t
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if (mesh_maxValStateVar(1) == 0) call IO_error(110) ! no materials specified
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if (mesh_maxValStateVar(2) == 0) call IO_error(120) ! no textures specified
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if (mesh_maxValStateVar(1) < 1_pInt) call IO_error(110) ! no homogenization specified
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if (mesh_maxValStateVar(2) < 1_pInt) call IO_error(120) ! no microstructure specified
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allocate (mesh_HomogMicro(mesh_maxValStateVar(1),mesh_maxValStateVar(2))); mesh_HomogMicro = 0_pInt
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do i=1,mesh_NcpElems
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mesh_HomogMicro(mesh_element(3,i),mesh_element(4,i)) = &
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mesh_HomogMicro(mesh_element(3,i),mesh_element(4,i)) + 1 ! count combinations of homogenization and microstructure
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do e = 1,mesh_NcpElems
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if (mesh_element(3,e) < 1_pInt) call IO_error(110,e) ! no homogenization specified
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if (mesh_element(4,e) < 1_pInt) call IO_error(120,e) ! no homogenization specified
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mesh_HomogMicro(mesh_element(3,e),mesh_element(4,e)) = &
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mesh_HomogMicro(mesh_element(3,e),mesh_element(4,e)) + 1 ! count combinations of homogenization and microstructure
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enddo
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if (verboseDebugger) then
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!$OMP CRITICAL (write2out)
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write(6,*)
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write(6,*) 'Input Parser: IP COORDINATES'
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write(6,'(a5,x,a5,3(x,a12))') 'elem','IP','x','y','z'
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@ -3041,12 +3042,11 @@ subroutine mesh_marc_count_cpSizes (unit)
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enddo
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enddo
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enddo
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!$OMP END CRITICAL (write2out)
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endif
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!$OMP END CRITICAL (write2out)
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endif
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!$OMP CRITICAL (write2out)
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write (6,*)
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write (6,*) "Input Parser: STATISTICS"
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write (6,*)
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@ -3072,8 +3072,9 @@ endif
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enddo
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write (6,*)
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call flush(6)
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!$OMP END CRITICAL (write2out)
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!$OMP END CRITICAL (write2out)
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deallocate(mesh_HomogMicro)
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return
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endsubroutine
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