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starting to introduce state pointers

This commit is contained in:
Martin Diehl 2018-11-03 20:00:02 +01:00
parent fdbc20b739
commit 0447ea9d74
1 changed files with 25 additions and 24 deletions
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49
src/homogenization_RGC.f90
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@ -249,6 +249,9 @@ subroutine homogenization_RGC_init()
allocate(homogState(h)%subState0(sizeHState,NofMyHomog), source=0.0_pReal) allocate(homogState(h)%subState0(sizeHState,NofMyHomog), source=0.0_pReal)
allocate(homogState(h)%state (sizeHState,NofMyHomog), source=0.0_pReal) allocate(homogState(h)%state (sizeHState,NofMyHomog), source=0.0_pReal)
state(instance)%work =>homogState(h)%state(nIntFaceTot+1,:)
state(instance)%penaltyEnergy =>homogState(h)%state(nIntFaceTot+5,:)
end associate end associate
enddo enddo
@ -366,11 +369,11 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
integer(pInt), dimension (4) :: intFaceN,intFaceP,faceID integer(pInt), dimension (4) :: intFaceN,intFaceP,faceID
integer(pInt), dimension (3) :: nGDim,iGr3N,iGr3P,stresLoc integer(pInt), dimension (3) :: nGDim,iGr3N,iGr3P,stresLoc
integer(pInt), dimension (2) :: residLoc integer(pInt), dimension (2) :: residLoc
integer(pInt) instance,iNum,i,j,nIntFaceTot,iGrN,iGrP,iMun,iFace,k,l,ipert,iGrain,nGrain integer(pInt) instance,iNum,i,j,nIntFaceTot,iGrN,iGrP,iMun,iFace,k,l,ipert,iGrain,nGrain, of
real(pReal), dimension (3,3,homogenization_maxNgrains) :: R,pF,pR,D,pD real(pReal), dimension (3,3,homogenization_maxNgrains) :: R,pF,pR,D,pD
real(pReal), dimension (3,homogenization_maxNgrains) :: NN,pNN real(pReal), dimension (3,homogenization_maxNgrains) :: NN,pNN
real(pReal), dimension (3) :: normP,normN,mornP,mornN real(pReal), dimension (3) :: normP,normN,mornP,mornN
real(pReal) :: residMax,stresMax,constitutiveWork,penaltyEnergy,volDiscrep real(pReal) :: residMax,stresMax,volDiscrep
logical error logical error
integer(pInt), parameter :: nFace = 6_pInt integer(pInt), parameter :: nFace = 6_pInt
@ -386,6 +389,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! get the dimension of the cluster (grains and interfaces) ! get the dimension of the cluster (grains and interfaces)
instance = homogenization_typeInstance(mesh_homogenizationAt(el)) instance = homogenization_typeInstance(mesh_homogenizationAt(el))
of = mappingHomogenization(1,ip,el)
nGDim = param(instance)%Nconstituents nGDim = param(instance)%Nconstituents
nGrain = homogenization_Ngrains(mesh_homogenizationAt(el)) nGrain = homogenization_Ngrains(mesh_homogenizationAt(el))
nIntFaceTot = (nGDim(1)-1_pInt)*nGDim(2)*nGDim(3) + nGDim(1)*(nGDim(2)-1_pInt)*nGDim(3) & nIntFaceTot = (nGDim(1)-1_pInt)*nGDim(2)*nGDim(3) + nGDim(1)*(nGDim(2)-1_pInt)*nGDim(3) &
@ -395,16 +399,16 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
! allocate the size of the global relaxation arrays/jacobian matrices depending on the size of the cluster ! allocate the size of the global relaxation arrays/jacobian matrices depending on the size of the cluster
allocate(resid(3_pInt*nIntFaceTot), source=0.0_pReal) allocate(resid(3_pInt*nIntFaceTot), source=0.0_pReal)
allocate(tract(nIntFaceTot,3), source=0.0_pReal) allocate(tract(nIntFaceTot,3), source=0.0_pReal)
relax = homogState(mappingHomogenization(2,ip,el))%state (1:3_pInt*nIntFaceTot,mappingHomogenization(1,ip,el)) relax = homogState(mappingHomogenization(2,ip,el))%state (1:3_pInt*nIntFaceTot,of)
drelax = relax & drelax = relax &
- homogState(mappingHomogenization(2,ip,el))%state0(1:3_pInt*nIntFaceTot,mappingHomogenization(1,ip,el)) - homogState(mappingHomogenization(2,ip,el))%state0(1:3_pInt*nIntFaceTot,of)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! debugging the obtained state ! debugging the obtained state
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0_pInt) then if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0_pInt) then
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write(6,'(1x,a30)')'Obtained state: ' write(6,'(1x,a30)')'Obtained state: '
do i = 1_pInt,3_pInt*nIntFaceTot do i = 1_pInt,3_pInt*nIntFaceTot
write(6,'(1x,2(e15.8,1x))')homogState(mappingHomogenization(2,ip,el))%state(i,mappingHomogenization(1,ip,el)) write(6,'(1x,2(e15.8,1x))')homogState(mappingHomogenization(2,ip,el))%state(i,of)
enddo enddo
write(6,*)' ' write(6,*)' '
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
@ -518,42 +522,39 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! compute/update the state for postResult, i.e., all energy densities computed by time-integration ! compute/update the state for postResult, i.e., all energy densities computed by time-integration
constitutiveWork = homogState(mappingHomogenization(2,ip,el))%state(3*nIntFaceTot+1,mappingHomogenization(1,ip,el))
penaltyEnergy = homogState(mappingHomogenization(2,ip,el))%state(3*nIntFaceTot+5,mappingHomogenization(1,ip,el))
do iGrain = 1_pInt,homogenization_Ngrains(mesh_homogenizationAt(el)) ! time-integration loop for the calculating the work and energy do iGrain = 1_pInt,homogenization_Ngrains(mesh_homogenizationAt(el)) ! time-integration loop for the calculating the work and energy
do i = 1_pInt,3_pInt do i = 1_pInt,3_pInt
do j = 1_pInt,3_pInt do j = 1_pInt,3_pInt
constitutiveWork = constitutiveWork + P(i,j,iGrain)*(F(i,j,iGrain) - F0(i,j,iGrain))/real(nGrain,pReal) state(instance)%work(of) = state(instance)%work(of) &
penaltyEnergy = penaltyEnergy + R(i,j,iGrain)*(F(i,j,iGrain) - F0(i,j,iGrain))/real(nGrain,pReal) + P(i,j,iGrain)*(F(i,j,iGrain) - F0(i,j,iGrain))/real(nGrain,pReal)
state(instance)%penaltyEnergy(of) = state(instance)%penaltyEnergy(of) &
+ R(i,j,iGrain)*(F(i,j,iGrain) - F0(i,j,iGrain))/real(nGrain,pReal)
enddo enddo
enddo enddo
enddo enddo
homogState(mappingHomogenization(2,ip,el))% & homogState(mappingHomogenization(2,ip,el))% &
state(3*nIntFaceTot+1,mappingHomogenization(1,ip,el)) = constitutiveWork ! the bulk mechanical/constitutive work state(3*nIntFaceTot+2,of) = sum(NN(1,:))/real(nGrain,pReal) ! the overall mismatch of all interface normal to e1-direction
homogState(mappingHomogenization(2,ip,el))% & homogState(mappingHomogenization(2,ip,el))% &
state(3*nIntFaceTot+2,mappingHomogenization(1,ip,el)) = sum(NN(1,:))/real(nGrain,pReal) ! the overall mismatch of all interface normal to e1-direction state(3*nIntFaceTot+3,of) = sum(NN(2,:))/real(nGrain,pReal) ! the overall mismatch of all interface normal to e2-direction
homogState(mappingHomogenization(2,ip,el))% & homogState(mappingHomogenization(2,ip,el))% &
state(3*nIntFaceTot+3,mappingHomogenization(1,ip,el)) = sum(NN(2,:))/real(nGrain,pReal) ! the overall mismatch of all interface normal to e2-direction state(3*nIntFaceTot+4,of) = sum(NN(3,:))/real(nGrain,pReal) ! the overall mismatch of all interface normal to e3-direction
homogState(mappingHomogenization(2,ip,el))% & homogState(mappingHomogenization(2,ip,el))% &
state(3*nIntFaceTot+4,mappingHomogenization(1,ip,el)) = sum(NN(3,:))/real(nGrain,pReal) ! the overall mismatch of all interface normal to e3-direction state(3*nIntFaceTot+6,of) = volDiscrep ! the overall volume discrepancy
homogState(mappingHomogenization(2,ip,el))% & homogState(mappingHomogenization(2,ip,el))% &
state(3*nIntFaceTot+5,mappingHomogenization(1,ip,el)) = penaltyEnergy ! the overall penalty energy state(3*nIntFaceTot+7,of) = &
homogState(mappingHomogenization(2,ip,el))% &
state(3*nIntFaceTot+6,mappingHomogenization(1,ip,el)) = volDiscrep ! the overall volume discrepancy
homogState(mappingHomogenization(2,ip,el))% &
state(3*nIntFaceTot+7,mappingHomogenization(1,ip,el)) = &
sum(abs(drelax))/dt/real(3_pInt*nIntFaceTot,pReal) ! the average rate of relaxation vectors sum(abs(drelax))/dt/real(3_pInt*nIntFaceTot,pReal) ! the average rate of relaxation vectors
homogState(mappingHomogenization(2,ip,el))% & homogState(mappingHomogenization(2,ip,el))% &
state(3*nIntFaceTot+8,mappingHomogenization(1,ip,el)) = maxval(abs(drelax))/dt ! the maximum rate of relaxation vectors state(3*nIntFaceTot+8,of) = maxval(abs(drelax))/dt ! the maximum rate of relaxation vectors
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0_pInt & if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0_pInt &
.and. debug_e == el .and. debug_i == ip) then .and. debug_e == el .and. debug_i == ip) then
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write(6,'(1x,a30,1x,e15.8)') 'Constitutive work: ',constitutiveWork write(6,'(1x,a30,1x,e15.8)') 'Constitutive work: ',state(instance)%work(of)
write(6,'(1x,a30,3(1x,e15.8))')'Magnitude mismatch: ',sum(NN(1,:))/real(nGrain,pReal), & write(6,'(1x,a30,3(1x,e15.8))')'Magnitude mismatch: ',sum(NN(1,:))/real(nGrain,pReal), &
sum(NN(2,:))/real(nGrain,pReal), & sum(NN(2,:))/real(nGrain,pReal), &
sum(NN(3,:))/real(nGrain,pReal) sum(NN(3,:))/real(nGrain,pReal)
write(6,'(1x,a30,1x,e15.8)') 'Penalty energy: ',penaltyEnergy write(6,'(1x,a30,1x,e15.8)') 'Penalty energy: ',state(instance)%penaltyEnergy(of)
write(6,'(1x,a30,1x,e15.8,/)') 'Volume discrepancy: ',volDiscrep write(6,'(1x,a30,1x,e15.8,/)') 'Volume discrepancy: ',volDiscrep
write(6,'(1x,a30,1x,e15.8)') 'Maximum relaxation rate: ',maxval(abs(drelax))/dt write(6,'(1x,a30,1x,e15.8)') 'Maximum relaxation rate: ',maxval(abs(drelax))/dt
write(6,'(1x,a30,1x,e15.8,/)') 'Average relaxation rate: ',sum(abs(drelax))/dt/real(3_pInt*nIntFaceTot,pReal) write(6,'(1x,a30,1x,e15.8,/)') 'Average relaxation rate: ',sum(abs(drelax))/dt/real(3_pInt*nIntFaceTot,pReal)
@ -658,7 +659,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
do ipert = 1_pInt,3_pInt*nIntFaceTot do ipert = 1_pInt,3_pInt*nIntFaceTot
p_relax = relax p_relax = relax
p_relax(ipert) = relax(ipert) + pPert_RGC ! perturb the relaxation vector p_relax(ipert) = relax(ipert) + pPert_RGC ! perturb the relaxation vector
homogState(mappingHomogenization(2,ip,el))%state(1:3*nIntFaceTot,mappingHomogenization(1,ip,el)) = p_relax homogState(mappingHomogenization(2,ip,el))%state(1:3*nIntFaceTot,of) = p_relax
call grainDeformation(pF,avgF,ip,el) ! compute the grains deformation from perturbed state call grainDeformation(pF,avgF,ip,el) ! compute the grains deformation from perturbed state
call stressPenalty(pR,pNN,avgF,pF,ip,el,instance) ! compute stress penalty due to interface mismatch from perturbed state call stressPenalty(pR,pNN,avgF,pF,ip,el,instance) ! compute stress penalty due to interface mismatch from perturbed state
call volumePenalty(pD,volDiscrep,pF,avgF,ip,el) ! compute stress penalty due to volume discrepancy from perturbed state call volumePenalty(pD,volDiscrep,pF,avgF,ip,el) ! compute stress penalty due to volume discrepancy from perturbed state
@ -774,7 +775,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
enddo enddo
enddo enddo
relax = relax + drelax ! Updateing the state variable for the next iteration relax = relax + drelax ! Updateing the state variable for the next iteration
homogState(mappingHomogenization(2,ip,el))%state(1:3*nIntFaceTot,mappingHomogenization(1,ip,el)) = relax homogState(mappingHomogenization(2,ip,el))%state(1:3*nIntFaceTot,of) = relax
if (any(abs(drelax) > maxdRelax_RGC)) then ! Forcing cutback when the incremental change of relaxation vector becomes too large if (any(abs(drelax) > maxdRelax_RGC)) then ! Forcing cutback when the incremental change of relaxation vector becomes too large
homogenization_RGC_updateState = [.true.,.false.] homogenization_RGC_updateState = [.true.,.false.]
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
@ -790,7 +791,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write(6,'(1x,a30)')'Returned state: ' write(6,'(1x,a30)')'Returned state: '
do i = 1_pInt,3_pInt*nIntFaceTot do i = 1_pInt,3_pInt*nIntFaceTot
write(6,'(1x,2(e15.8,1x))')homogState(mappingHomogenization(2,ip,el))%state(i,mappingHomogenization(1,ip,el)) write(6,'(1x,2(e15.8,1x))')homogState(mappingHomogenization(2,ip,el))%state(i,of)
enddo enddo
write(6,*)' ' write(6,*)' '
flush(6) flush(6)