223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

(hopefully) improved the cutbacking scheme somewhat. introduced a bunch 

of debugging to the .out file
This commit is contained in:
Philip Eisenlohr 2008-08-01 07:47:01 +00:00
parent cf1c7ce82a
commit 10358fc1f0
1 changed files with 110 additions and 176 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

240
trunk/crystallite.f90
View File

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