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DAMASK_EICMD
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* OpenMP does not like unbounded array subscripts in function calls 

* some write statements were still not enclosed by CRITICAL construct, some needed a MASTER construct
This commit is contained in:
Christoph Kords 2010-11-11 13:14:53 +00:00
parent f3a7e323ea
commit 14594dc9e2
1 changed files with 75 additions and 50 deletions
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105
code/crystallite.f90
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@ -95,7 +95,6 @@ use numerics, only: integrator, &
use math, only: math_I3, & use math, only: math_I3, &
math_EulerToR, & math_EulerToR, &
math_inv3x3, & math_inv3x3, &
math_transpose3x3, &
math_mul33xx33, & math_mul33xx33, &
math_mul33x33 math_mul33x33
use FEsolving, only: FEsolving_execElem, & use FEsolving, only: FEsolving_execElem, &
@ -300,8 +299,8 @@ close(file)
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element
do g = 1,myNgrains do g = 1,myNgrains
crystallite_partionedTemperature0(g,i,e) = Temperature ! isothermal assumption crystallite_partionedTemperature0(g,i,e) = Temperature ! isothermal assumption
crystallite_Fp0(:,:,g,i,e) = math_EulerToR(material_EulerAngles(:,g,i,e)) ! plastic def gradient reflects init orientation crystallite_Fp0(:,:,g,i,e) = math_EulerToR(material_EulerAngles(1:3,g,i,e)) ! plastic def gradient reflects init orientation
crystallite_Fe(:,:,g,i,e) = transpose(crystallite_Fp0(:,:,g,i,e)) crystallite_Fe(:,:,g,i,e) = transpose(crystallite_Fp0(1:3,1:3,g,i,e))
crystallite_F0(:,:,g,i,e) = math_I3 crystallite_F0(:,:,g,i,e) = math_I3
crystallite_partionedFp0(:,:,g,i,e) = crystallite_Fp0(:,:,g,i,e) crystallite_partionedFp0(:,:,g,i,e) = crystallite_Fp0(:,:,g,i,e)
crystallite_partionedF0(:,:,g,i,e) = crystallite_F0(:,:,g,i,e) crystallite_partionedF0(:,:,g,i,e) = crystallite_F0(:,:,g,i,e)
@ -582,7 +581,7 @@ do while (any(crystallite_subStep(:,:,FEsolving_execELem(1):FEsolving_execElem(2
crystallite_subStep(g,i,e) = subStepSizeCryst * crystallite_subStep(g,i,e) ! cut step in half and restore... crystallite_subStep(g,i,e) = subStepSizeCryst * crystallite_subStep(g,i,e) ! cut step in half and restore...
crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) ! ...temperature crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) ! ...temperature
crystallite_Fp(:,:,g,i,e) = crystallite_subFp0(:,:,g,i,e) ! ...plastic def grad crystallite_Fp(:,:,g,i,e) = crystallite_subFp0(:,:,g,i,e) ! ...plastic def grad
crystallite_invFp(:,:,g,i,e) = math_inv3x3(crystallite_Fp(:,:,g,i,e)) crystallite_invFp(:,:,g,i,e) = math_inv3x3(crystallite_Fp(1:3,1:3,g,i,e))
crystallite_Lp(:,:,g,i,e) = crystallite_subLp0(:,:,g,i,e) ! ...plastic velocity grad crystallite_Lp(:,:,g,i,e) = crystallite_subLp0(:,:,g,i,e) ! ...plastic velocity grad
constitutive_state(g,i,e)%p = constitutive_subState0(g,i,e)%p ! ...microstructure constitutive_state(g,i,e)%p = constitutive_subState0(g,i,e)%p ! ...microstructure
crystallite_Tstar_v(:,g,i,e) = crystallite_subTstar0_v(:,g,i,e) ! ...2nd PK stress crystallite_Tstar_v(:,g,i,e) = crystallite_subTstar0_v(:,g,i,e) ! ...2nd PK stress
@ -603,7 +602,7 @@ do while (any(crystallite_subStep(:,:,FEsolving_execELem(1):FEsolving_execElem(2
crystallite_subF(:,:,g,i,e) = crystallite_subF0(:,:,g,i,e) + & crystallite_subF(:,:,g,i,e) = crystallite_subF0(:,:,g,i,e) + &
crystallite_subStep(g,i,e) * & crystallite_subStep(g,i,e) * &
(crystallite_partionedF(:,:,g,i,e) - crystallite_partionedF0(:,:,g,i,e)) (crystallite_partionedF(:,:,g,i,e) - crystallite_partionedF0(:,:,g,i,e))
crystallite_Fe(:,:,g,i,e) = math_mul33x33(crystallite_subF(:,:,g,i,e),crystallite_invFp(:,:,g,i,e)) crystallite_Fe(:,:,g,i,e) = math_mul33x33(crystallite_subF(1:3,1:3,g,i,e), crystallite_invFp(1:3,1:3,g,i,e))
crystallite_subdt(g,i,e) = crystallite_subStep(g,i,e) * crystallite_dt(g,i,e) crystallite_subdt(g,i,e) = crystallite_subStep(g,i,e) * crystallite_dt(g,i,e)
crystallite_converged(g,i,e) = .false. ! start out non-converged crystallite_converged(g,i,e) = .false. ! start out non-converged
endif endif
@ -617,13 +616,13 @@ do while (any(crystallite_subStep(:,:,FEsolving_execELem(1):FEsolving_execElem(2
if (any(crystallite_todo)) then if (any(crystallite_todo)) then
select case(integrator) select case(integrator)
case (1) case(1)
call crystallite_integrateStateFPI(1) call crystallite_integrateStateFPI(1)
case (2) case(2)
call crystallite_integrateStateEuler(1) call crystallite_integrateStateEuler(1)
case (3) case(3)
call crystallite_integrateStateAdaptiveEuler(1) call crystallite_integrateStateAdaptiveEuler(1)
case (4) case(4)
call crystallite_integrateStateRK4(1) call crystallite_integrateStateRK4(1)
case(5) case(5)
call crystallite_integrateStateRKCK45(1) call crystallite_integrateStateRKCK45(1)
@ -643,8 +642,8 @@ enddo
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
do g = 1,myNgrains do g = 1,myNgrains
if (.not. crystallite_converged(g,i,e)) then ! respond fully elastically (might be not required due to becoming terminally ill anyway) if (.not. crystallite_converged(g,i,e)) then ! respond fully elastically (might be not required due to becoming terminally ill anyway)
invFp = math_inv3x3(crystallite_partionedFp0(:,:,g,i,e)) invFp = math_inv3x3(crystallite_partionedFp0(1:3,1:3,g,i,e))
Fe_guess = math_mul33x33(crystallite_partionedF(:,:,g,i,e),invFp) Fe_guess = math_mul33x33(crystallite_partionedF(1:3,1:3,g,i,e), invFp)
Tstar = math_Mandel6to33( math_mul66x6( 0.5_pReal*constitutive_homogenizedC(g,i,e), & Tstar = math_Mandel6to33( math_mul66x6( 0.5_pReal*constitutive_homogenizedC(g,i,e), &
math_Mandel33to6( math_mul33x33(transpose(Fe_guess),Fe_guess) - math_I3 ) ) ) math_Mandel33to6( math_mul33x33(transpose(Fe_guess),Fe_guess) - math_I3 ) ) )
crystallite_P(:,:,g,i,e) = math_mul33x33(Fe_guess,math_mul33x33(Tstar,transpose(invFp))) crystallite_P(:,:,g,i,e) = math_mul33x33(Fe_guess,math_mul33x33(Tstar,transpose(invFp)))
@ -654,9 +653,9 @@ enddo
write (6,*) '#############' write (6,*) '#############'
write (6,*) 'central solution of cryst_StressAndTangent' write (6,*) 'central solution of cryst_StressAndTangent'
write (6,*) '#############' write (6,*) '#############'
write (6,'(a8,3(x,i4),/,3(3(f12.4,x)/))') ' P of', g, i, e, crystallite_P(1:3,:,g,i,e)/1e6 write (6,'(a8,3(x,i4),/,3(3(f12.4,x)/))') ' P of', g, i, e, crystallite_P(1:3,1:3,g,i,e)/1e6
write (6,'(a8,3(x,i4),/,3(3(f14.9,x)/))') ' Fp of', g, i, e, crystallite_Fp(1:3,:,g,i,e) write (6,'(a8,3(x,i4),/,3(3(f14.9,x)/))') ' Fp of', g, i, e, crystallite_Fp(1:3,1:3,g,i,e)
write (6,'(a8,3(x,i4),/,3(3(f14.9,x)/))') ' Lp of', g, i, e, crystallite_Lp(1:3,:,g,i,e) write (6,'(a8,3(x,i4),/,3(3(f14.9,x)/))') ' Lp of', g, i, e, crystallite_Lp(1:3,1:3,g,i,e)
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
endif endif
enddo enddo
@ -714,13 +713,13 @@ if(updateJaco) then
where (crystallite_todo) crystallite_converged = .false. ! start out non-converged where (crystallite_todo) crystallite_converged = .false. ! start out non-converged
select case(integratorStiffness) select case(integratorStiffness)
case (1) case(1)
call crystallite_integrateStateFPI(2) call crystallite_integrateStateFPI(2)
case (2) case(2)
call crystallite_integrateStateEuler(2) call crystallite_integrateStateEuler(2)
case (3) case(3)
call crystallite_integrateStateAdaptiveEuler(2) call crystallite_integrateStateAdaptiveEuler(2)
case (4) case(4)
call crystallite_integrateStateRK4(2) call crystallite_integrateStateRK4(2)
case(5) case(5)
call crystallite_integrateStateRKCK45(2) call crystallite_integrateStateRKCK45(2)
@ -733,9 +732,9 @@ if(updateJaco) then
do g = 1,myNgrains do g = 1,myNgrains
if (crystallite_requested(g,i,e) .and. crystallite_converged(g,i,e)) then ! converged state warrants stiffness update if (crystallite_requested(g,i,e) .and. crystallite_converged(g,i,e)) then ! converged state warrants stiffness update
select case(perturbation) select case(perturbation)
case (1) case(1)
dPdF_perturbation1(:,:,k,l,g,i,e) = (crystallite_P(:,:,g,i,e) - P_backup(:,:,g,i,e)) / myPert ! tangent dP_ij/dFg_kl dPdF_perturbation1(:,:,k,l,g,i,e) = (crystallite_P(:,:,g,i,e) - P_backup(:,:,g,i,e)) / myPert ! tangent dP_ij/dFg_kl
case (2) case(2)
dPdF_perturbation2(:,:,k,l,g,i,e) = (crystallite_P(:,:,g,i,e) - P_backup(:,:,g,i,e)) / myPert ! tangent dP_ij/dFg_kl dPdF_perturbation2(:,:,k,l,g,i,e) = (crystallite_P(:,:,g,i,e) - P_backup(:,:,g,i,e)) / myPert ! tangent dP_ij/dFg_kl
end select end select
endif endif
@ -780,11 +779,11 @@ if(updateJaco) then
do g = 1,myNgrains do g = 1,myNgrains
if (crystallite_requested(g,i,e) .and. crystallite_converged(g,i,e)) then ! central solution converged if (crystallite_requested(g,i,e) .and. crystallite_converged(g,i,e)) then ! central solution converged
select case(pert_method) select case(pert_method)
case (1) case(1)
crystallite_dPdF(:,:,:,:,g,i,e) = dPdF_perturbation1(:,:,:,:,g,i,e) crystallite_dPdF(:,:,:,:,g,i,e) = dPdF_perturbation1(:,:,:,:,g,i,e)
case (2) case(2)
crystallite_dPdF(:,:,:,:,g,i,e) = dPdF_perturbation2(:,:,:,:,g,i,e) crystallite_dPdF(:,:,:,:,g,i,e) = dPdF_perturbation2(:,:,:,:,g,i,e)
case (3) case(3)
crystallite_dPdF(:,:,:,:,g,i,e) = 0.5_pReal* (dPdF_perturbation1(:,:,:,:,g,i,e) + dPdF_perturbation2(:,:,:,:,g,i,e)) crystallite_dPdF(:,:,:,:,g,i,e) = 0.5_pReal* (dPdF_perturbation1(:,:,:,:,g,i,e) + dPdF_perturbation2(:,:,:,:,g,i,e))
end select end select
elseif (crystallite_requested(g,i,e) .and. .not. crystallite_converged(g,i,e)) then ! central solution did not converge elseif (crystallite_requested(g,i,e) .and. .not. crystallite_converged(g,i,e)) then ! central solution did not converge
@ -1185,7 +1184,13 @@ endif
! --- FIRST RUNGE KUTTA STEP --- ! --- FIRST RUNGE KUTTA STEP ---
if (verboseDebugger) write(6,'(a,x,i1)') '<<<RUNGE KUTTA STEP',1 if (verboseDebugger) then
!$OMP MASTER
!$OMP CRITICAL (write2out)
write(6,'(a,x,i1)') '<<<RUNGE KUTTA STEP',1
!$OMP END CRITICAL (write2out)
!$OMP END MASTER
endif
!$OMP DO !$OMP DO
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
@ -1269,7 +1274,13 @@ do n = 1,5
! --- dot state and RK dot state--- ! --- dot state and RK dot state---
if (verboseDebugger) write(6,'(a,x,i1)') '<<<RUNGE KUTTA STEP',n+1 if (verboseDebugger) then
!$OMP MASTER
!$OMP CRITICAL (write2out)
write(6,'(a,x,i1)') '<<<RUNGE KUTTA STEP',n+1
!$OMP END CRITICAL (write2out)
!$OMP END MASTER
endif
!$OMP DO !$OMP DO
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
@ -1961,7 +1972,7 @@ endif
!$OMP DO !$OMP DO
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), & call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
endif endif
constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
@ -1976,7 +1987,7 @@ endif
!$OMP DO !$OMP DO
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, & call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_subTstar0_v(1:6,g,i,e), crystallite_Fe, &
crystallite_Fp, crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), & crystallite_Fp, crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), &
crystallite_orientation, g, i, e) crystallite_orientation, g, i, e)
endif endif
@ -2007,7 +2018,7 @@ crystallite_statedamper = 1.0_pReal
!$OMP DO !$OMP DO
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), & call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
endif endif
constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
@ -2042,7 +2053,11 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
!$OMP ENDDO !$OMP ENDDO
if (verboseDebugger .and. mode == 1) then if (verboseDebugger .and. mode == 1) then
!$OMP MASTER
!$OMP CRITICAL (write2out)
write(6,*) count(crystallite_todo(:,:,:)),'grains todo after stress integration' write(6,*) count(crystallite_todo(:,:,:)),'grains todo after stress integration'
!$OMP END CRITICAL (write2out)
!$OMP END MASTER
endif endif
@ -2051,7 +2066,7 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
!$OMP DO !$OMP DO
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, & call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_subTstar0_v(1:6,g,i,e), crystallite_Fe, &
crystallite_Fp, crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), & crystallite_Fp, crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), &
crystallite_orientation, g, i, e) crystallite_orientation, g, i, e)
endif endif
@ -2101,7 +2116,7 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
!$OMP DO !$OMP DO
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), & call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
endif endif
constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
@ -2112,8 +2127,12 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
if (verboseDebugger .and. mode == 1) then if (verboseDebugger .and. mode == 1) then
!$OMP MASTER
!$OMP CRITICAL (write2out)
write(6,*) count(crystallite_converged(:,:,:)),'grains converged after state integration no.', NiterationState write(6,*) count(crystallite_converged(:,:,:)),'grains converged after state integration no.', NiterationState
write(6,*) write(6,*)
!$OMP END CRITICAL (write2out)
!$OMP END MASTER
endif endif
@ -2128,9 +2147,13 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
crystallite_todo = crystallite_todo .and. .not. crystallite_converged ! skip all converged crystallite_todo = crystallite_todo .and. .not. crystallite_converged ! skip all converged
if (verboseDebugger .and. mode == 1) then if (verboseDebugger .and. mode == 1) then
!$OMP MASTER
!$OMP CRITICAL (write2out)
write(6,*) count(crystallite_converged(:,:,:)),'grains converged after non-local check' write(6,*) count(crystallite_converged(:,:,:)),'grains converged after non-local check'
write(6,*) count(crystallite_todo(:,:,:)),'grains todo after state integration no.', NiterationState write(6,*) count(crystallite_todo(:,:,:)),'grains todo after state integration no.', NiterationState
write(6,*) write(6,*)
!$OMP END CRITICAL (write2out)
!$OMP END MASTER
endif endif
enddo ! crystallite convergence loop enddo ! crystallite convergence loop
@ -2260,7 +2283,7 @@ endfunction
! calculate the residuum ! calculate the residuum
residuum = crystallite_Temperature(g,i,e) - crystallite_subTemperature0(g,i,e) - & residuum = crystallite_Temperature(g,i,e) - crystallite_subTemperature0(g,i,e) - &
crystallite_subdt(g,i,e) * & crystallite_subdt(g,i,e) * &
constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e),crystallite_Temperature(g,i,e),g,i,e) constitutive_dotTemperature(crystallite_Tstar_v(1:6,g,i,e),crystallite_Temperature(g,i,e),g,i,e)
! if NaN occured then return without changing the state ! if NaN occured then return without changing the state
if (residuum/=residuum) then if (residuum/=residuum) then
@ -2612,10 +2635,12 @@ LpLoop: do
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write(6,'(a,i3,x,i2,x,i5,x,a,x,i3)') '::: integrateStress converged at ',g,i,e,' ; iteration ', NiterationStress write(6,'(a,i3,x,i2,x,i5,x,a,x,i3)') '::: integrateStress converged at ',g,i,e,' ; iteration ', NiterationStress
write(6,*) write(6,*)
write(6,'(a,/,3(3(f12.7,x)/))') 'P / MPa',crystallite_P(:,:,g,i,e)/1e6 write(6,'(a,/,3(3(f12.7,x)/))') 'P / MPa',crystallite_P(1:3,1:3,g,i,e)/1e6
write(6,'(a,/,3(3(f12.7,x)/))') 'Cauchy / MPa',math_mul33x33(crystallite_P(:,:,g,i,e),transpose(Fg_new))/1e6/math_det3x3(Fg_new) write(6,'(a,/,3(3(f12.7,x)/))') 'Cauchy / MPa', math_mul33x33(crystallite_P(1:3,1:3,g,i,e),transpose(Fg_new)) &
write(6,'(a,/,3(3(f12.7,x)/))') 'Fe Lp Fe^-1',math_mul33x33(Fe_new,math_mul33x33(crystallite_Lp(:,:,g,i,e),math_inv3x3(Fe_new))) / 1e6 / math_det3x3(Fg_new)
write(6,'(a,/,3(3(f12.7,x)/))') 'Fp',crystallite_Fp(:,:,g,i,e) write(6,'(a,/,3(3(f12.7,x)/))') 'Fe Lp Fe^-1',math_mul33x33(Fe_new, math_mul33x33(crystallite_Lp(1:3,1:3,g,i,e), &
math_inv3x3(Fe_new)))
write(6,'(a,/,3(3(f12.7,x)/))') 'Fp',crystallite_Fp(1:3,1:3,g,i,e)
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
endif endif
@ -2691,7 +2716,7 @@ logical error
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do g = 1,homogenization_Ngrains(mesh_element(3,e)) do g = 1,homogenization_Ngrains(mesh_element(3,e))
call math_pDecomposition(crystallite_Fe(:,:,g,i,e), U, R, error) ! polar decomposition of Fe call math_pDecomposition(crystallite_Fe(1:3,1:3,g,i,e), U, R, error) ! polar decomposition of Fe
if (error) then if (error) then
call IO_warning(650, e, i, g) call IO_warning(650, e, i, g)
crystallite_orientation(:,g,i,e) = (/1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal/) ! fake orientation crystallite_orientation(:,g,i,e) = (/1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal/) ! fake orientation
@ -2700,8 +2725,8 @@ logical error
endif endif
crystallite_rotation(:,g,i,e) = & crystallite_rotation(:,g,i,e) = &
math_QuaternionDisorientation( math_qConj(crystallite_orientation(:,g,i,e)), & ! calculate grainrotation math_QuaternionDisorientation( math_qConj(crystallite_orientation(1:4,g,i,e)), & ! calculate grainrotation
math_qConj(crystallite_orientation0(:,g,i,e)), & math_qConj(crystallite_orientation0(1:4,g,i,e)), &
0_pInt ) ! we don't want symmetry here 0_pInt ) ! we don't want symmetry here
enddo enddo
@ -2735,8 +2760,8 @@ logical error
neighboringStructure = constitutive_nonlocal_structure(neighboringInstance) ! get my neighbor's crystal structure neighboringStructure = constitutive_nonlocal_structure(neighboringInstance) ! get my neighbor's crystal structure
if (myStructure == neighboringStructure) then ! if my neighbor has same crystal structure like me if (myStructure == neighboringStructure) then ! if my neighbor has same crystal structure like me
crystallite_disorientation(:,n,1,i,e) = & crystallite_disorientation(:,n,1,i,e) = &
math_QuaternionDisorientation( crystallite_orientation(:,1,i,e), & math_QuaternionDisorientation( crystallite_orientation(1:4,1,i,e), &
crystallite_orientation(:,1,neighboring_i,neighboring_e), & crystallite_orientation(1:4,1,neighboring_i,neighboring_e), &
crystallite_symmetryID(1,i,e)) ! calculate disorientation crystallite_symmetryID(1,i,e)) ! calculate disorientation
else ! for neighbor with different phase else ! for neighbor with different phase
crystallite_disorientation(:,n,1,i,e) = (/0.0_pReal, 1.0_pReal, 0.0_pReal, 0.0_pReal/) ! 180 degree rotation about 100 axis crystallite_disorientation(:,n,1,i,e) = (/0.0_pReal, 1.0_pReal, 0.0_pReal, 0.0_pReal/) ! 180 degree rotation about 100 axis