(hopefully) improved the cutbacking scheme somewhat. introduced a bunch
of debugging to the .out file
This commit is contained in:
parent
cf1c7ce82a
commit
10358fc1f0
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@ -39,14 +39,15 @@ CONTAINS
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use constitutive, only: constitutive_Nstatevars,constitutive_Nresults
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use mesh, only: mesh_element
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use math
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implicit none
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!
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character(len=*) msg
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logical updateJaco,error,cuttedBack,guessNew
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logical updateJaco,error,success,guessNew
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integer(pInt) cp_en,ip,grain,k,l, nCutbacks, maxCutbacks
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real(pReal) Temperature
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real(pReal) dt,dt_aim,subFrac,subStep,det
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real(pReal), dimension(3,3) :: Lp,Lp_pert,inv
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real(pReal), dimension(3,3) :: Lp,Lp_interpolated,Lp_pert,inv
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real(pReal), dimension(3,3) :: Fg_old,Fg_current,Fg_new,Fg_pert,Fg_aim,deltaFg
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real(pReal), dimension(3,3) :: Fp_old,Fp_current,Fp_new,Fp_pert
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real(pReal), dimension(3,3) :: Fe_current,Fe_new,Fe_pert
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@ -55,70 +56,69 @@ CONTAINS
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real(pReal), dimension(constitutive_Nstatevars(grain,ip,cp_en)) :: state_old,state_new
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real(pReal), dimension(constitutive_Nstatevars(grain,ip,cp_en)) :: state_current,state_bestguess,state_pert
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real(pReal), dimension(constitutive_Nresults(grain,ip,cp_en)) :: post_results
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!
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deltaFg = Fg_new-Fg_old
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deltaFg = Fg_new - Fg_old
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subFrac = 0.0_pReal
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subStep = 1.0_pReal
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nCutbacks = 0_pInt
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maxCutbacks = 0_pInt
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!
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Fg_aim = Fg_old ! make "new", "aim" a synonym for "old"
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Fp_new = Fp_old
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Fg_current = Fg_old ! initialize to start of inc
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Fp_current = Fp_old
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call math_invert3x3(Fp_old,inv,det,error)
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!!$OMP CRITICAL (evilmatmul)
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Fe_new = math_mul33x33(Fg_old,inv)
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!!$OMP END CRITICAL (evilmatmul)
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state_bestguess = state_new ! remember potentially available state guess
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state_new = state_old
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!
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cuttedBack = .false.
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guessNew = .true.
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!
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Fe_current = math_mul33x33(Fg_old,inv)
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state_current = state_old
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success = .false. ! pretend cutback
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dt_aim = 0.0_pReal ! prevent initial Lp interpolation
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! begin the cutback loop
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do while (subStep > subStepMin) ! continue until finished or too much cut backing
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if (.not. cuttedBack) then
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Fg_current = Fg_aim ! wind forward
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Fp_current = Fp_new
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if (success) then ! wind forward
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Fg_current = Fg_aim
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Fe_current = Fe_new
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Fp_current = Fp_new
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state_current = state_new
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endif
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!
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Fg_aim = Fg_current + subStep*deltaFg ! aim for Fg
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dt_aim = subStep*dt ! aim for dt
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if (guessNew) &
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state_new = state_bestguess ! try best available guess for state
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if (dt_aim > 0.0_pReal) then
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elseif (dt_aim > 0.0_pReal) then
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call math_invert3x3(Fg_aim,inv,det,error) ! inv of Fg_aim
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!!$OMP CRITICAL (evilmatmul)
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Lp = 0.5_pReal*Lp + 0.5_pReal*(math_I3 - math_mul33x33(Fp_current,&
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Lp_interpolated = 0.5_pReal*Lp + &
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0.5_pReal*(math_I3 - math_mul33x33(Fp_current,&
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math_mul33x33(inv,Fe_current)))/dt_aim ! interpolate Lp and L
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!!$OMP END CRITICAL (evilmatmul)
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endif
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!!$OMP CRITICAL (timeint)
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call TimeIntegration(msg,Lp,Fp_new,Fe_new,P,state_new,post_results,.true., & ! def gradients and PK2 at end of time step
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dt_aim,cp_en,ip,grain,Temperature,Fg_aim,Fp_current,state_current)
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!!$OMP END CRITICAL (timeint)
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!
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if (msg == 'ok') then
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cuttedBack = .false. ! no cut back required
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guessNew = .false. ! keep the Lp
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subFrac = subFrac + subStep
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subStep = 1.0_pReal - subFrac ! try one go
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nCutbacks = 0_pInt ! rest cutbackcounter
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if (debugger) then
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!$OMP CRITICAL (write2out)
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write (6,*) '--------- one go -----------++##'
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write (6,*) 'Lp interpolation'
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write (6,'(a,/,3(3(f12.7,x)/))') 'from',Lp(1:3,:)
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write (6,'(a,/,3(3(f12.7,x)/))') 'to',Lp_interpolated(1:3,:)
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!$OMP END CRITICAL (write2out)
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endif
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Lp = Lp_interpolated
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endif
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Fg_aim = Fg_current + subStep*deltaFg ! aim for Fg
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dt_aim = subStep*dt ! aim for dt
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if (debugger) then
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!$OMP CRITICAL (write2out)
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write (6,*) 'using these values'
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write (6,'(a,/,3(4(f9.3,x)/))') 'state current / MPa',state_current/1e6_pReal
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write (6,'(a,/,3(4(f9.3,x)/))') 'state new / MPa',state_new/1e6_pReal
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write (6,'(a,/,3(3(f12.7,x)/))') 'Fe current',Fe_current(1:3,:)
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write (6,'(a,/,3(3(f12.7,x)/))') 'Fp current',Fp_current(1:3,:)
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write (6,'(a,/,3(3(f12.7,x)/))') 'Lp (old=new guess)',Lp(1:3,:)
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write (6,'(a20,f,x,a2,x,f)') 'integrating from ',subFrac,'to',(subFrac+subStep)
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!$OMP END CRITICAL (write2out)
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endif
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call TimeIntegration(msg,Lp,Fp_new,Fe_new,P,state_new,post_results, & ! def gradients and PK2 at end of time step
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maxval(abs(Fg_aim-Fg_new)) < relevantStrain, & ! post results only if asking for final values
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dt_aim,cp_en,ip,grain,Temperature,Fg_aim,Fp_current,state_current)
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if (msg == 'ok') then
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subFrac = subFrac + subStep
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subStep = min(1.0_pReal-subFrac, subStep*2.0_pReal) ! accelerate
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nCutbacks = 0_pInt ! reset cutback counter
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success = .true. ! keep current Lp
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else
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nCutbacks = nCutbacks + 1 ! record additional cutback
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maxCutbacks=max(nCutbacks,maxCutbacks)! remember maximum number of cutbacks
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cuttedBack = .true. ! encountered problems -->
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guessNew = .true. ! redo plastic Lp guess
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maxCutbacks = max(nCutbacks,maxCutbacks)! remember maximum number of cutbacks
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subStep = subStep / 2.0_pReal ! cut time step in half
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state_bestguess = state_current ! current state is then best guess
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success = .false. ! force Lp interpolation
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if (debugger) then
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!$OMP CRITICAL (write2out)
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write (6,*) '>>>>>>>>>>>>>>>>>>>> cutback <<<<<<<<<<<<<<<<<<<<<<'
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@ -133,59 +133,31 @@ CONTAINS
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!$OMP END CRITICAL (cutback)
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!
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if (msg /= 'ok') return ! solution not reached --> report back
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!!$OMP CRITICAL (write2out)
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! write(6,*) '*************************'
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! write(6,*) '*************************'
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! write(6,*) 'updateJaco', updateJaco, cp_en, ip
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! write(6,*) '*************************'
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! write(6,*) '*************************'
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!!$OMP END CRITICAL (write2out)
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if (updateJaco) then ! consistent tangent using
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if (debugger) then
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!$OMP CRITICAL (write2out)
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write (6,*) 'Jacobian calc'
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!$OMP END CRITICAL (write2out)
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endif
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do k=1,3
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do l=1,3
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Fg_pert = Fg_new ! initialize perturbed Fg
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Fg_pert(k,l) = Fg_pert(k,l) + pert_Fg ! perturb single component
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Lp_pert = Lp
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state_pert = state_new ! initial guess from end of time step
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!!$OMP CRITICAL (timeint)
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call TimeIntegration(msg,Lp_pert,Fp_pert,Fe_pert,P_pert,state_pert,post_results,.false., & ! def gradients and PK2 at end of time step
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dt_aim,cp_en,ip,grain,Temperature,Fg_pert, Fp_current,state_current)
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!!$OMP END CRITICAL (timeint)
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!!$OMP CRITICAL (write2out)
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! if(cp_en==61 .and. ip==1) then
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! write (6,*) k, l
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! write (6,*) msg
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! write (6,*) Lp_pert
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! write (6,*) Fp_pert
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! write (6,*) Fe_pert
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! write (6,*) P_pert
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! write (6,*) state_pert
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! write (6,*) post_results
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! write (6,*) dt_aim
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! write (6,*) cp_en
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! write (6,*) ip
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! write (6,*) grain
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! write (6,*) Temperature
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! write (6,*) Fg_pert
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! write (6,*) Fp_current
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! write (6,*) state_current
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! endif
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!!$OMP END CRITICAL (write2out)
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dt_aim,cp_en,ip,grain,Temperature,Fg_pert,Fp_current,state_current)
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if (msg == 'ok') &
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dPdF(:,:,k,l) = (P_pert-P)/pert_Fg ! constructing tangent dP_ij/dFg_kl only if valid forward difference
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! otherwise leave component unchanged
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!!$OMP CRITICAL (write2out)
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! write(6,*) '*************************'
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! write(6,*) cp_en, ip
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! write(6,*) 'dPdF_kl', k, l
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! write(6,*) dPdF(:,:,k,l)
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! write(6,*) '*************************'
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!!$OMP END CRITICAL (write2out)
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enddo
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enddo
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endif
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!
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msg = 'ok' ! a new consistent tangent was computed even if msg was not ok for all components
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!
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return
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!
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@ -248,18 +220,28 @@ CONTAINS
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return
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endif
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!!$OMP CRITICAL (evilmatmul)
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A = math_mul33x33(transpose(invFp_old), math_mul33x33(transpose(Fg_new),math_mul33x33(Fg_new,invFp_old)))
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!!$OMP END CRITICAL (evilmatmul)
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!
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if (all(state == 0.0_pReal)) then
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state = state_old ! former state guessed, if none specified
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endif
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if (all(state == 0.0_pReal)) state = state_old ! former state guessed, if none specified
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iOuter = 0_pInt ! outer counter
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!
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if (debugger) then
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!$OMP CRITICAL (write2out)
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write (6,'(a,/,3(3(f12.7,x)/))') 'Fg to be calculated',Fg_new
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!$OMP END CRITICAL (write2out)
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endif
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!
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Outer: do ! outer iteration: State
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iOuter = iOuter+1
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if (debugger) then
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!$OMP CRITICAL (write2out)
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write (6,'(a,i3)') '---outer ',iOuter
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write (6,'(a,/,3(4(f9.3,x)/))') 'state old / MPa',state_old/1e6_pReal
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write (6,'(a,/,3(4(f9.3,x)/))') 'state / MPa',state/1e6_pReal
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write (6,'(a,/,3(3(f12.7,x)/))') 'Lpguess',Lpguess(1:3,:)
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!$OMP END CRITICAL (write2out)
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endif
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if (iOuter > nOuter) then
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msg = 'limit Outer iteration'
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!$OMP CRITICAL (out)
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@ -279,8 +261,16 @@ Outer: do ! outer iteration: State
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!
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Inner: do ! inner iteration: Lp
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iInner = iInner+1
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if (debugger) then
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!$OMP CRITICAL (write2out)
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write (6,'(a,i3)') 'inner ',iInner
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if (wantsConstitutiveResults .and. iOuter == 1 .and. iInner < 3) then
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write (6,'(a,/,3(3(f12.7,x)/))') 'Lpguess',Lpguess(1:3,:)
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endif
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!$OMP END CRITICAL (write2out)
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endif
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if (iInner > nInner) then ! too many loops required
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Lpguess=Lpguess_old ! do not trust the last update
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Lpguess = Lpguess_old ! do not trust the last update but resort to former one
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msg = 'limit Inner iteration'
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!$OMP CRITICAL (in)
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debug_InnerLoopDistribution(nInner) = debug_InnerLoopDistribution(nInner)+1
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@ -290,55 +280,16 @@ Inner: do ! inner iteration: Lp
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!
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B = math_i3 - dt*Lpguess
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BT = transpose(B)
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!!$OMP CRITICAL (evilmatmul)
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AB = math_mul33x33(A,B)
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BTA = math_mul33x33(BT,A)
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Tstar_v = 0.5_pReal*math_mul66x6(C_66,math_mandel33to6(math_mul33x33(BT,AB)-math_I3))
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!!$OMP END CRITICAL (evilmatmul)
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Tstar = math_Mandel6to33(Tstar_v)
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p_hydro=(Tstar_v(1)+Tstar_v(2)+Tstar_v(3))/3.0_pReal
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forall(i=1:3) Tstar_v(i) = Tstar_v(i)-p_hydro ! subtract hydrostatic pressure
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!!$OMP CRITICAL (calcLp)
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call constitutive_LpAndItsTangent(Lp,dLp, &
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Tstar_v,state,Temperature,grain,ip,cp_en)
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!!$OMP END CRITICAL (calcLp)
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!!$OMP CRITICAL (write2out)
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!if(cp_en==61 .and. ip==1) then
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! write(6,*)
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! write(6,*) '*************************'
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! write(6,*) iInner, iOuter
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! write(6,*) cp_en, ip
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! write(6,*) 'Tstar_v'
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! write(6,*) Tstar_v
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! write(6,*) 'A'
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! write(6,*) A
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! write(6,*) 'B'
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! write(6,*) B
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! write(6,*) 'AB'
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! write(6,*) AB
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! write(6,*) 'BTA'
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! write(6,*) BTA
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! write(6,*) 'C_66'
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! write(6,*) C_66
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! write(6,*) '*************************'
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! write(6,*)
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! call flush(6)
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!endif
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!!$OMP END CRITICAL (write2out)
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!
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Rinner = Lpguess - Lp ! update current residuum
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!!$OMP CRITICAL (write2out)
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! write(6,*)
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! write(6,*) '*************************'
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! write(6,*) iInner, iOuter
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! write(6,*) cp_en, ip
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! write(6,*) 'Rinner'
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! write(6,*) Rinner
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! write(6,*) 'Lp'
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! write(6,*) Lp
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! write(6,*) 'Lpguess'
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! write(6,*) Lpguess
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!!$OMP END CRITICAL (write2out)
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!
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if (.not.(any(Rinner/=Rinner)) .and. & ! exclude any NaN in residuum
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( (maxval(abs(Rinner)) < abstol_Inner) .or. & ! below abs tol .or.
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@ -370,9 +321,7 @@ Inner: do ! inner iteration: Lp
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dTdLp(3*(i-1)+j,3*(k-1)+l) = dTdLp(3*(i-1)+j,3*(k-1)+l) + &
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C(i,j,l,n)*AB(k,n)+C(i,j,m,l)*BTA(m,k)
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dTdLp = -0.5_pReal*dt*dTdLp
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!!$OMP CRITICAL (evilmatmul)
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dRdLp = eye2 - math_mul99x99(dLp,dTdLp) ! calc dR/dLp
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!!$OMP END CRITICAL (evilmatmul)
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invdRdLp = 0.0_pReal
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call math_invert(9,dRdLp,invdRdLp,dummy,failed) ! invert dR/dLp --> dLp/dR
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if (failed) then
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@ -381,9 +330,10 @@ Inner: do ! inner iteration: Lp
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!$OMP CRITICAL (write2out)
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write (6,*) msg
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write (6,'(a,/,9(9(e9.3,x)/))') 'dRdLp', dRdLp(1:9,:)
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write (6,*) 'state',state
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write (6,'(a,/,3(4(f9.3,x)/))') 'state / MPa',state/1e6_pReal
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write (6,'(a,/,3(3(f12.7,x)/))') 'Lpguess',Lpguess(1:3,:)
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write (6,*) 'Tstar',Tstar_v
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write (6,'(a,/,3(3(e12.7,x)/))') 'Lp',Lp(1:3,:)
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write (6,'(a,/,6(f9.3,x))') 'Tstar / MPa',Tstar_v/1e6_pReal
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!$OMP END CRITICAL (write2out)
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endif
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return
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@ -392,7 +342,6 @@ Inner: do ! inner iteration: Lp
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Rinner_old = Rinner ! remember current residuum
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Lpguess_old = Lpguess ! remember current Lp guess
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if (iInner > 1 .and. leapfrog < maxleap) &
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leapfrog = 2.0_pReal * leapfrog ! accelerate if ok
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endif
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!
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@ -405,28 +354,24 @@ Inner: do ! inner iteration: Lp
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!$OMP CRITICAL (in)
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debug_InnerLoopDistribution(iInner) = debug_InnerLoopDistribution(iInner)+1
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!$OMP END CRITICAL (in)
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!!$OMP CRITICAL (stateupdate)
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ROuter = state - state_old - &
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dt*constitutive_dotState(Tstar_v,state,Temperature,&
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grain,ip,cp_en) ! residuum from evolution of microstructure
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!!$OMP END CRITICAL (stateupdate)
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state = state - ROuter ! update of microstructure
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! if (iOuter==nOuter) then
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if (iOuter==nOuter) then
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!!$OMP CRITICAL (write2out)
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! write (6,*) 'WARNING: Outer loop has not really converged'
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write (6,*) 'Terminated outer loop at el,ip,grain',cp_en,ip,grain
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!!$OMP END CRITICAL (write2out)
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! exit Outer
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! endif
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exit Outer
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endif
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if (maxval(abs(Router/state),state /= 0.0_pReal) < reltol_Outer) exit Outer
|
||||
enddo Outer
|
||||
!
|
||||
!$OMP CRITICAL (out)
|
||||
debug_OuterLoopDistribution(iOuter) = debug_OuterLoopDistribution(iOuter)+1
|
||||
!$OMP END CRITICAL (out)
|
||||
|
||||
!!$OMP CRITICAL (evilmatmul)
|
||||
invFp_new = math_mul33x33(invFp_old,B)
|
||||
!!$OMP END CRITICAL (evilmatmul)
|
||||
call math_invert3x3(invFp_new,Fp_new,det,failed)
|
||||
if (failed) then
|
||||
msg = 'inversion Fp_new^-1'
|
||||
|
@ -440,20 +385,9 @@ Inner: do ! inner iteration: Lp
|
|||
!
|
||||
Fp_new = Fp_new*det**(1.0_pReal/3.0_pReal) ! regularize Fp by det = det(InvFp_new) !!
|
||||
forall (i=1:3) Tstar_v(i) = Tstar_v(i)+p_hydro ! add hydrostatic component back
|
||||
!!$OMP CRITICAL (evilmatmul)
|
||||
Fe_new = math_mul33x33(Fg_new,invFp_new) ! calc resulting Fe
|
||||
P = math_mul33x33(Fe_new,math_mul33x33(Tstar,transpose(invFp_new))) ! first PK stress
|
||||
!!$OMP END CRITICAL (evilmatmul)
|
||||
!
|
||||
!!$OMP CRITICAL (write2out)
|
||||
! write(6,*)
|
||||
! write(6,*) '*************************'
|
||||
! write(6,*) cp_en, ip
|
||||
! write(6,*) iInner, iOuter
|
||||
! write(6,*) 'P'
|
||||
! write(6,*) P
|
||||
! write(6,*) '*************************'
|
||||
!!$OMP END CRITICAL (write2out)
|
||||
|
||||
return
|
||||
!
|
||||
END SUBROUTINE
|
||||
|
|
Loading…
Reference in New Issue