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minimum substepping size in homogenization and crystallite is now controlled by two independent parameters subStepMinHomog and subStepMinCryst respectively. 

deleted flush statements where they are not needed, since they seriously slow down computation.
This commit is contained in:
Christoph Kords 2009-10-26 16:43:43 +00:00
parent f50d3291f9
commit c766ba2e3a
4 changed files with 28 additions and 41 deletions
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26
code/crystallite.f90
View File

@ -226,7 +226,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
!*** variables and functions from other modules ***!
use prec, only: pInt, &
pReal
use numerics, only: subStepMin, &
use numerics, only: subStepMinCryst, &
pert_Fg, &
nState, &
nCryst
@ -337,7 +337,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
NiterationCrystallite = 0_pInt
do while (any(crystallite_subStep(:,:,FEsolving_execELem(1):FEsolving_execElem(2)) > subStepMin)) ! cutback loop for crystallites
do while (any(crystallite_subStep(:,:,FEsolving_execELem(1):FEsolving_execElem(2)) > subStepMinCryst)) ! cutback loop for crystallites
if (any(.not. crystallite_converged(:,:,FEsolving_execELem(1):FEsolving_execElem(2)) .and. & ! any non-converged grain
.not. crystallite_localConstitution(:,:,FEsolving_execELem(1):FEsolving_execElem(2))) ) & ! has non-local constitution?
@ -358,12 +358,11 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
crystallite_subFrac(g,i,e),' to current crystallite_subfrac ', &
crystallite_subFrac(g,i,e)+crystallite_subStep(g,i,e),' in crystallite_stressAndItsTangent'
write(6,*)
call flush(6)
!$OMPEND CRITICAL (write2out)
endif
crystallite_subFrac(g,i,e) = crystallite_subFrac(g,i,e) + crystallite_subStep(g,i,e)
crystallite_subStep(g,i,e) = min(1.0_pReal-crystallite_subFrac(g,i,e), 1.0_pReal * crystallite_subStep(g,i,e)) ! keep cut back step size (no acceleration)
if (crystallite_subStep(g,i,e) > subStepMin) then
if (crystallite_subStep(g,i,e) > subStepMinCryst) then
crystallite_subTemperature0(g,i,e) = crystallite_Temperature(g,i,e) ! wind forward...
crystallite_subF0(:,:,g,i,e) = crystallite_subF(:,:,g,i,e) ! ...def grad
crystallite_subFp0(:,:,g,i,e) = crystallite_Fp(:,:,g,i,e) ! ...plastic def grad
@ -389,12 +388,11 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
write(6,'(a78,f10.8)') 'cutback step in crystallite_stressAndItsTangent with new crystallite_subStep: ',&
crystallite_subStep(g,i,e)
write(6,*)
call flush(6)
!$OMPEND CRITICAL (write2out)
endif
endif
crystallite_onTrack(g,i,e) = crystallite_subStep(g,i,e) > subStepMin ! still on track or already done (beyond repair)
crystallite_onTrack(g,i,e) = crystallite_subStep(g,i,e) > subStepMinCryst ! still on track or already done (beyond repair)
if (crystallite_onTrack(g,i,e)) then ! specify task (according to substep)
crystallite_subF(:,:,g,i,e) = crystallite_subF0(:,:,g,i,e) + &
crystallite_subStep(g,i,e) * &
@ -457,7 +455,6 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
if (debugger) then
!$OMP CRITICAL (write2out)
write(6,*) count(crystallite_onTrack(1,:,:)),'IPs onTrack after preguess for state'
call flush(6)
!$OMPEND CRITICAL (write2out)
endif
@ -492,7 +489,6 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
if (debugger) then
!$OMP CRITICAL (write2out)
write(6,*) count(crystallite_onTrack(1,:,:)),'IPs onTrack after stress integration'
call flush(6)
!$OMPEND CRITICAL (write2out)
endif
@ -561,7 +557,6 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
write(6,*) count(crystallite_converged(1,:,:)),'IPs converged'
write(6,*) count(crystallite_todo(1,:,:)),'IPs todo'
write(6,*)
call flush(6)
!$OMPEND CRITICAL (write2out)
endif
@ -628,7 +623,6 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
write (6,'(a,/,3(3(f12.8,x)/))') ' Fp of 1 1 1',myFp(1:3,:)
write (6,'(a,/,3(3(f12.8,x)/))') ' Lp of 1 1 1',myLp(1:3,:)
write (6,'(a,/,16(6(e12.4,x)/),2(f12.4,x))') 'state of 1 1 1',myState/1e6
call flush(6)
!$OMPEND CRITICAL (write2out)
endif
do k = 1,3 ! perturbation...
@ -641,7 +635,6 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
write (6,'(i1,x,i1)') k,l
write (6,*) '============='
write (6,'(a,/,3(3(f12.6,x)/))') 'pertF of 1 1 1',crystallite_subF(1:3,:,g,i,e)
call flush(6)
!$OMPEND CRITICAL (write2out)
endif
onTrack = .true.
@ -667,7 +660,6 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
write (6,'(a,/,3(3(f12.4,x)/))') 'DP of 1 1 1',(crystallite_P(1:3,:,g,i,e)-myP(1:3,:))/1e6
write (6,'(a,/,16(6(e12.4,x)/),/,2(f12.4,x))') 'state of 1 1 1',constitutive_state(g,i,e)%p/1e6
write (6,'(a,/,16(6(e12.4,x)/),/,2(f12.4,x))') 'Dstate of 1 1 1',(constitutive_state(g,i,e)%p-myState)/1e6
call flush(6)
!$OMPEND CRITICAL (write2out)
endif
enddo
@ -762,7 +754,6 @@ endsubroutine
if (debugger) then
!$OMP CRITICAL (write2out)
write(6,*) '::: updateState encountered NaN',g,i,e
call flush(6)
!$OMPEND CRITICAL (write2out)
endif
return
@ -788,7 +779,6 @@ endsubroutine
write(6,*)
write(6,'(a,/,12(f12.5,x))') 'resid tolerance',abs(residuum/rTol_crystalliteState/constitutive_state(g,i,e)%p(1:mySize))
write(6,*)
call flush(6)
!$OMPEND CRITICAL (write2out)
endif
return
@ -846,7 +836,6 @@ endsubroutine
crystallite_updateTemperature = .false. ! indicate update failed
!$OMP CRITICAL (write2out)
write(6,*) '::: updateTemperature encountered NaN',g,i,e
call flush(6)
!$OMPEND CRITICAL (write2out)
return
endif
@ -974,7 +963,6 @@ endsubroutine
write(6,*) '::: integrateStress failed on invFp_current inversion',g,i,e
write(6,*)
write(6,'(a11,3(i3,x),/,3(3(f12.7,x)/))') 'invFp_new at ',g,i,e,invFp_new
call flush(6)
!$OMPEND CRITICAL (write2out)
endif
return
@ -1004,7 +992,6 @@ LpLoop: do
!$OMP CRITICAL (write2out)
write(6,*) '::: integrateStress reached loop limit',g,i,e
write(6,*)
call flush(6)
!$OMPEND CRITICAL (write2out)
endif
return
@ -1033,7 +1020,6 @@ LpLoop: do
write(6,*)
write(6,'(a19,3(i3,x),/,3(3(f20.7,x)/))') 'Lp_constitutive at ',g,i,e,Lp_constitutive
write(6,'(a11,3(i3,x),/,3(3(f20.7,x)/))') 'Lpguess at ',g,i,e,Lpguess
call flush(6)
!$OMPEND CRITICAL (write2out)
endif
@ -1055,7 +1041,6 @@ LpLoop: do
if (debugger) then
!$OMP CRITICAL (write2out)
write(6,*) '::: integrateStress encountered NaN at iteration', NiterationStress,'at',g,i,e
call flush(6)
!$OMPEND CRITICAL (write2out)
endif
return
@ -1095,7 +1080,6 @@ LpLoop: do
write(6,'(a20,3(i3,x),/,9(9(f15.3,x)/))') 'dLpdT_constitutive at ',g,i,e,dLpdT_constitutive
write(6,'(a19,3(i3,x),/,3(3(f20.7,x)/))') 'Lp_constitutive at ',g,i,e,Lp_constitutive
write(6,'(a11,3(i3,x),/,3(3(f20.7,x)/))') 'Lpguess at ',g,i,e,Lpguess
call flush(6)
!$OMPEND CRITICAL (write2out)
endif
return
@ -1126,7 +1110,6 @@ LpLoop: do
write(6,*) '::: integrateStress failed on invFp_new inversion at iteration', NiterationStress
write(6,*)
write(6,'(a11,3(i3,x),/,3(3(f12.7,x)/))') 'invFp_new at ',g,i,e,invFp_new
call flush(6)
!$OMPEND CRITICAL (write2out)
endif
return
@ -1155,7 +1138,6 @@ LpLoop: do
write(6,'(a,/,3(3(f12.7,x)/))') 'P / MPa',crystallite_P(:,:,g,i,e)/1e6
write(6,'(a,/,3(3(f12.7,x)/))') 'Lp',crystallite_Lp(:,:,g,i,e)
write(6,'(a,/,3(3(f12.7,x)/))') 'Fp',crystallite_Fp(:,:,g,i,e)
call flush(6)
!$OMP CRITICAL (write2out)
endif

13
code/homogenization.f90
View File

@ -187,7 +187,7 @@ subroutine materialpoint_stressAndItsTangent(&
use prec, only: pInt, &
pReal
use numerics, only: subStepMin, &
use numerics, only: subStepMinHomog, &
nHomog, &
nMPstate
use FEsolving, only: FEsolving_execElem, &
@ -236,7 +236,6 @@ subroutine materialpoint_stressAndItsTangent(&
write (6,'(a,/,3(3(f12.7,x)/))') 'F of 1 1',materialpoint_F(1:3,:,1,1)
write (6,'(a,/,3(3(f12.7,x)/))') 'Fp0 of 1 1 1',crystallite_Fp0(1:3,:,1,1,1)
write (6,'(a,/,3(3(f12.7,x)/))') 'Lp0 of 1 1 1',crystallite_Lp0(1:3,:,1,1,1)
call flush(6)
!$OMP PARALLEL DO
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
@ -268,7 +267,7 @@ subroutine materialpoint_stressAndItsTangent(&
! ------ cutback loop ------
do while (any(materialpoint_subStep(:,FEsolving_execELem(1):FEsolving_execElem(2)) > subStepMin)) ! cutback loop for material points
do while (any(materialpoint_subStep(:,FEsolving_execELem(1):FEsolving_execElem(2)) > subStepMinHomog)) ! cutback loop for material points
! write(6,'(a,/,125(8(f8.5,x),/))') 'mp_subSteps',materialpoint_subStep(:,FEsolving_execELem(1):FEsolving_execElem(2))
!$OMP PARALLEL DO
@ -285,7 +284,6 @@ subroutine materialpoint_stressAndItsTangent(&
write(6,'(a21,f10.8,a34,f10.8,a37,/)') 'winding forward from ', &
materialpoint_subFrac(i,e), ' to current materialpoint_subFrac ', &
materialpoint_subFrac(i,e)+materialpoint_subStep(i,e),' in materialpoint_stressAndItsTangent'
call flush(6)
!$OMPEND CRITICAL (write2out)
endif
@ -294,7 +292,7 @@ subroutine materialpoint_stressAndItsTangent(&
materialpoint_subStep(i,e) = min(1.0_pReal-materialpoint_subFrac(i,e), 1.0_pReal * materialpoint_subStep(i,e)) ! keep cut back time step (no acceleration)
! still stepping needed
if (materialpoint_subStep(i,e) > subStepMin) then
if (materialpoint_subStep(i,e) > subStepMinHomog) then
! wind forward grain starting point of...
crystallite_partionedTemperature0(1:myNgrains,i,e) = crystallite_Temperature(1:myNgrains,i,e) ! ...temperatures
@ -322,7 +320,6 @@ subroutine materialpoint_stressAndItsTangent(&
!$OMP CRITICAL (write2out)
write(6,'(a82,f10.8,/)') 'cutback step in materialpoint_stressAndItsTangent with new materialpoint_subStep: ',&
materialpoint_subStep(i,e)
call flush(6)
!$OMPEND CRITICAL (write2out)
endif
@ -337,7 +334,7 @@ subroutine materialpoint_stressAndItsTangent(&
endif
materialpoint_requested(i,e) = materialpoint_subStep(i,e) > subStepMin
materialpoint_requested(i,e) = materialpoint_subStep(i,e) > subStepMinHomog
if (materialpoint_requested(i,e)) then
materialpoint_subF(:,:,i,e) = materialpoint_subF0(:,:,i,e) + &
materialpoint_subStep(i,e) * (materialpoint_F(:,:,i,e) - materialpoint_F0(:,:,i,e))
@ -349,7 +346,7 @@ subroutine materialpoint_stressAndItsTangent(&
!$OMP END PARALLEL DO
!* Checks for cutback/substepping loops: added <<<updated 31.07.2009>>>
! write (6,'(a,/,8(L,x))') 'MP exceeds substep min',materialpoint_subStep(:,FEsolving_execELem(1):FEsolving_execElem(2)) > subStepMin
! write (6,'(a,/,8(L,x))') 'MP exceeds substep min',materialpoint_subStep(:,FEsolving_execELem(1):FEsolving_execElem(2)) > subStepMinHomog
! write (6,'(a,/,8(L,x))') 'MP requested',materialpoint_requested(:,FEsolving_execELem(1):FEsolving_execElem(2))
! write (6,'(a,/,8(f6.4,x))') 'MP subFrac',materialpoint_subFrac(:,FEsolving_execELem(1):FEsolving_execElem(2))
! write (6,'(a,/,8(f6.4,x))') 'MP subStep',materialpoint_subStep(:,FEsolving_execELem(1):FEsolving_execElem(2))

8
code/numerics.config
View File

@ -5,11 +5,13 @@ relevantStrain 1.0e-9 # strain increment considered significant
iJacoStiffness 1 # frequency of stiffness update
iJacoLpresiduum 1 # frequency of Jacobian update of residuum in Lp
pert_Fg 1.0e-7 # strain perturbation for FEM Jacobi
nHomog 25 # homogenization loop limit
nCryst 20 # crystallite loop limit (only for debugging info, real loop limit is "subStepMin")
nHomog 25 # homogenization loop limit (only for debugging info, loop limit is determined by "subStepMinHomog")
subStepMinHomog 1.0e-3 # minimum (relative) size of sub-step allowed during cutback in homogenization
nMPstate 10 # materialpoint state loop limit
nCryst 20 # crystallite loop limit (only for debugging info, loop limit is determined by "subStepMinCryst")
subStepMinCryst 1.0e-3 # minimum (relative) size of sub-step allowed during cutback in crystallite
nState 50 # state loop limit
nStress 200 # stress loop limit
subStepMin 1.0e-3 # minimum (relative) size of sub-step allowed during cutback in crystallite
rTol_crystalliteState 1.0e-6 # relative tolerance in crystallite state loop (abs tol provided by constitutive law)
rTol_crystalliteStress 1.0e-6 # relative tolerance in crystallite stress loop (Lp residuum)
aTol_crystalliteStress 1.0e-8 # absolute tolerance in crystallite stress loop (Lp residuum!)

22
code/numerics.f90
View File

@ -9,14 +9,15 @@ implicit none
character(len=64), parameter :: numerics_configFile = 'numerics.config' ! name of configuration file
integer(pInt) iJacoStiffness, & ! frequency of stiffness update
iJacoLpresiduum, & ! frequency of Jacobian update of residuum in Lp
nHomog, & ! homogenization loop limit
nHomog, & ! homogenization loop limit (only for debugging info, loop limit is determined by "subStepMinHomog")
nMPstate, & ! materialpoint state loop limit
nCryst, & ! crystallite loop limit (only for debugging info, real loop limit is "subStepMin")
nCryst, & ! crystallite loop limit (only for debugging info, loop limit is determined by "subStepMinCryst")
nState, & ! state loop limit
nStress ! stress loop limit
real(pReal) relevantStrain, & ! strain increment considered significant
pert_Fg, & ! strain perturbation for FEM Jacobi
subStepMin, & ! minimum (relative) size of sub-step allowed during cutback in crystallite
subStepMinCryst, & ! minimum (relative) size of sub-step allowed during cutback in crystallite
subStepMinHomog, & ! minimum (relative) size of sub-step allowed during cutback in homogenization
rTol_crystalliteState, & ! relative tolerance in crystallite state loop
rTol_crystalliteTemperature, & ! relative tolerance in crystallite temperature loop
rTol_crystalliteStress, & ! relative tolerance in crystallite stress loop
@ -76,11 +77,12 @@ subroutine numerics_init()
iJacoLpresiduum = 1_pInt
pert_Fg = 1.0e-6_pReal
nHomog = 20_pInt
subStepMinHomog = 1.0e-3_pReal
nMPstate = 10_pInt
nCryst = 20_pInt
subStepMinCryst = 1.0e-3_pReal
nState = 10_pInt
nStress = 40_pInt
subStepMin = 1.0e-3_pReal
rTol_crystalliteState = 1.0e-6_pReal
rTol_crystalliteTemperature = 1.0e-6_pReal
rTol_crystalliteStress = 1.0e-6_pReal
@ -129,8 +131,10 @@ subroutine numerics_init()
nState = IO_intValue(line,positions,2)
case ('nstress')
nStress = IO_intValue(line,positions,2)
case ('substepmin')
subStepMin = IO_floatValue(line,positions,2)
case ('substepmincryst')
subStepMinCryst = IO_floatValue(line,positions,2)
case ('substepminhomog')
subStepMinHomog = IO_floatValue(line,positions,2)
case ('rtol_crystallitestate')
rTol_crystalliteState = IO_floatValue(line,positions,2)
case ('rtol_crystallitetemperature')
@ -175,11 +179,12 @@ subroutine numerics_init()
write(6,'(a24,x,i8)') 'iJacoLpresiduum: ',iJacoLpresiduum
write(6,'(a24,x,e8.1)') 'pert_Fg: ',pert_Fg
write(6,'(a24,x,i8)') 'nHomog: ',nHomog
write(6,'(a24,x,e8.1)') 'subStepMinHomog: ',subStepMinHomog
write(6,'(a24,x,i8)') 'nMPstate: ',nMPstate
write(6,'(a24,x,i8)') 'nCryst: ',nCryst
write(6,'(a24,x,e8.1)') 'subStepMinCryst: ',subStepMinCryst
write(6,'(a24,x,i8)') 'nState: ',nState
write(6,'(a24,x,i8)') 'nStress: ',nStress
write(6,'(a24,x,e8.1)') 'subStepMin: ',subStepMin
write(6,'(a24,x,e8.1)') 'rTol_crystalliteState: ',rTol_crystalliteState
write(6,'(a24,x,e8.1)') 'rTol_crystalliteTemp: ',rTol_crystalliteTemperature
write(6,'(a24,x,e8.1)') 'rTol_crystalliteStress: ',rTol_crystalliteStress
@ -207,7 +212,8 @@ subroutine numerics_init()
if (nCryst < 1_pInt) call IO_error(265)
if (nState < 1_pInt) call IO_error(266)
if (nStress < 1_pInt) call IO_error(267)
if (subStepMin <= 0.0_pReal) call IO_error(268)
if (subStepMinCryst <= 0.0_pReal) call IO_error(268)
if (subStepMinHomog <= 0.0_pReal) call IO_error(268)
if (rTol_crystalliteState <= 0.0_pReal) call IO_error(269)
if (rTol_crystalliteTemperature <= 0.0_pReal) call IO_error(276) !! oops !!
if (rTol_crystalliteStress <= 0.0_pReal) call IO_error(270)