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better store data locally

This commit is contained in:
Martin Diehl 2020-03-17 00:39:32 +01:00
parent 8d46a22f5a
commit 71d4de269a
3 changed files with 68 additions and 69 deletions
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36
src/homogenization.f90
View File

@ -49,6 +49,17 @@ module homogenization
logical, dimension(:,:,:), allocatable :: & logical, dimension(:,:,:), allocatable :: &
materialpoint_doneAndHappy materialpoint_doneAndHappy
type :: tNumerics
integer :: &
nMPstate !< materialpoint state loop limit
real(pReal) :: &
subStepMinHomog, & !< minimum (relative) size of sub-step allowed during cutback in homogenization
subStepSizeHomog, & !< size of first substep when cutback in homogenization
stepIncreaseHomog !< increase of next substep size when previous substep converged in homogenization
end type tNumerics
type(tNumerics) :: num
interface interface
module subroutine mech_none_init module subroutine mech_none_init
@ -179,6 +190,15 @@ subroutine homogenization_init
if (debug_g < 1 .or. debug_g > homogenization_Ngrains(material_homogenizationAt(debug_e))) & if (debug_g < 1 .or. debug_g > homogenization_Ngrains(material_homogenizationAt(debug_e))) &
call IO_error(602,ext_msg='constituent', el=debug_e, g=debug_g) call IO_error(602,ext_msg='constituent', el=debug_e, g=debug_g)
num%nMPstate = config_numerics%getInt( 'nmpstate', defaultVal=10)
num%subStepMinHomog = config_numerics%getFloat('substepminhomog', defaultVal=1.0e-3_pReal)
num%subStepSizeHomog = config_numerics%getFloat('substepsizehomog', defaultVal=0.25_pReal)
num%stepIncreaseHomog = config_numerics%getFloat('stepincreasehomog', defaultVal=1.5_pReal)
if (num%nMPstate < 1) call IO_error(301,ext_msg='nMPstate')
if (num%subStepMinHomog <= 0.0_pReal) call IO_error(301,ext_msg='subStepMinHomog')
if (num%subStepSizeHomog <= 0.0_pReal) call IO_error(301,ext_msg='subStepSizeHomog')
if (num%stepIncreaseHomog <= 0.0_pReal) call IO_error(301,ext_msg='stepIncreaseHomog')
end subroutine homogenization_init end subroutine homogenization_init
@ -235,7 +255,7 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
materialpoint_subF0(1:3,1:3,i,e) = materialpoint_F0(1:3,1:3,i,e) materialpoint_subF0(1:3,1:3,i,e) = materialpoint_F0(1:3,1:3,i,e)
materialpoint_subFrac(i,e) = 0.0_pReal materialpoint_subFrac(i,e) = 0.0_pReal
materialpoint_subStep(i,e) = 1.0_pReal/subStepSizeHomog ! <<added to adopt flexibility in cutback size>> materialpoint_subStep(i,e) = 1.0_pReal/num%subStepSizeHomog ! <<added to adopt flexibility in cutback size>>
materialpoint_converged(i,e) = .false. ! pretend failed step of twice the required size materialpoint_converged(i,e) = .false. ! pretend failed step of twice the required size
materialpoint_requested(i,e) = .true. ! everybody requires calculation materialpoint_requested(i,e) = .true. ! everybody requires calculation
@ -256,7 +276,7 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
NiterationHomog = 0 NiterationHomog = 0
cutBackLooping: do while (.not. terminallyIll .and. & cutBackLooping: do while (.not. terminallyIll .and. &
any(materialpoint_subStep(:,FEsolving_execELem(1):FEsolving_execElem(2)) > subStepMinHomog)) any(materialpoint_subStep(:,FEsolving_execELem(1):FEsolving_execElem(2)) > num%subStepMinHomog))
!$OMP PARALLEL DO PRIVATE(myNgrains) !$OMP PARALLEL DO PRIVATE(myNgrains)
elementLooping1: do e = FEsolving_execElem(1),FEsolving_execElem(2) elementLooping1: do e = FEsolving_execElem(1),FEsolving_execElem(2)
@ -278,9 +298,9 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
! calculate new subStep and new subFrac ! calculate new subStep and new subFrac
materialpoint_subFrac(i,e) = materialpoint_subFrac(i,e) + materialpoint_subStep(i,e) materialpoint_subFrac(i,e) = materialpoint_subFrac(i,e) + materialpoint_subStep(i,e)
materialpoint_subStep(i,e) = min(1.0_pReal-materialpoint_subFrac(i,e), & materialpoint_subStep(i,e) = min(1.0_pReal-materialpoint_subFrac(i,e), &
stepIncreaseHomog*materialpoint_subStep(i,e)) ! introduce flexibility for step increase/acceleration num%stepIncreaseHomog*materialpoint_subStep(i,e)) ! introduce flexibility for step increase/acceleration
steppingNeeded: if (materialpoint_subStep(i,e) > subStepMinHomog) then steppingNeeded: if (materialpoint_subStep(i,e) > num%subStepMinHomog) then
! wind forward grain starting point of... ! wind forward grain starting point of...
crystallite_partionedF0 (1:3,1:3,1:myNgrains,i,e) = & crystallite_partionedF0 (1:3,1:3,1:myNgrains,i,e) = &
@ -326,7 +346,7 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
else converged else converged
if ( (myNgrains == 1 .and. materialpoint_subStep(i,e) <= 1.0 ) .or. & ! single grain already tried internal subStepping in crystallite if ( (myNgrains == 1 .and. materialpoint_subStep(i,e) <= 1.0 ) .or. & ! single grain already tried internal subStepping in crystallite
subStepSizeHomog * materialpoint_subStep(i,e) <= subStepMinHomog ) then ! would require too small subStep num%subStepSizeHomog * materialpoint_subStep(i,e) <= num%subStepMinHomog ) then ! would require too small subStep
! cutback makes no sense ! cutback makes no sense
!$OMP FLUSH(terminallyIll) !$OMP FLUSH(terminallyIll)
if (.not. terminallyIll) then ! so first signals terminally ill... if (.not. terminallyIll) then ! so first signals terminally ill...
@ -336,7 +356,7 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
endif endif
terminallyIll = .true. ! ...and kills all others terminallyIll = .true. ! ...and kills all others
else ! cutback makes sense else ! cutback makes sense
materialpoint_subStep(i,e) = subStepSizeHomog * materialpoint_subStep(i,e) ! crystallite had severe trouble, so do a significant cutback materialpoint_subStep(i,e) = num%subStepSizeHomog * materialpoint_subStep(i,e) ! crystallite had severe trouble, so do a significant cutback
#ifdef DEBUG #ifdef DEBUG
if (iand(debug_level(debug_homogenization), debug_levelExtensive) /= 0 & if (iand(debug_level(debug_homogenization), debug_levelExtensive) /= 0 &
@ -382,7 +402,7 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
endif endif
endif converged endif converged
if (materialpoint_subStep(i,e) > subStepMinHomog) then if (materialpoint_subStep(i,e) > num%subStepMinHomog) then
materialpoint_requested(i,e) = .true. materialpoint_requested(i,e) = .true.
materialpoint_subF(1:3,1:3,i,e) = materialpoint_subF0(1:3,1:3,i,e) & materialpoint_subF(1:3,1:3,i,e) = materialpoint_subF0(1:3,1:3,i,e) &
+ materialpoint_subStep(i,e) * (materialpoint_F(1:3,1:3,i,e) & + materialpoint_subStep(i,e) * (materialpoint_F(1:3,1:3,i,e) &
@ -400,7 +420,7 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
any( materialpoint_requested(:,FEsolving_execELem(1):FEsolving_execElem(2)) & any( materialpoint_requested(:,FEsolving_execELem(1):FEsolving_execElem(2)) &
.and. .not. materialpoint_doneAndHappy(1,:,FEsolving_execELem(1):FEsolving_execElem(2)) & .and. .not. materialpoint_doneAndHappy(1,:,FEsolving_execELem(1):FEsolving_execElem(2)) &
) .and. & ) .and. &
NiterationMPstate < nMPstate) NiterationMPstate < num%nMPstate)
NiterationMPstate = NiterationMPstate + 1 NiterationMPstate = NiterationMPstate + 1
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

6
src/homogenization_mech_RGC.f90
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@ -43,7 +43,7 @@ submodule(homogenization) homogenization_mech_RGC
orientation orientation
end type tRGCdependentState end type tRGCdependentState
type :: tNumerics type :: tNumerics_RGC
real(pReal) :: & real(pReal) :: &
atol, & !< absolute tolerance of RGC residuum atol, & !< absolute tolerance of RGC residuum
rtol, & !< relative tolerance of RGC residuum rtol, & !< relative tolerance of RGC residuum
@ -58,7 +58,7 @@ submodule(homogenization) homogenization_mech_RGC
maxVolDiscr, & !< threshold of maximum volume discrepancy allowed maxVolDiscr, & !< threshold of maximum volume discrepancy allowed
volDiscrMod, & !< stiffness of RGC volume discrepancy (zero = without volume discrepancy constraint) volDiscrMod, & !< stiffness of RGC volume discrepancy (zero = without volume discrepancy constraint)
volDiscrPow !< powerlaw penalty for volume discrepancy volDiscrPow !< powerlaw penalty for volume discrepancy
end type tNumerics end type tNumerics_RGC
type(tparameters), dimension(:), allocatable :: & type(tparameters), dimension(:), allocatable :: &
param param
@ -67,7 +67,7 @@ submodule(homogenization) homogenization_mech_RGC
state0 state0
type(tRGCdependentState), dimension(:), allocatable :: & type(tRGCdependentState), dimension(:), allocatable :: &
dependentState dependentState
type(tNumerics) :: & type(tNumerics_RGC) :: &
num ! numerics parameters. Better name? num ! numerics parameters. Better name?
contains contains

21
src/numerics.f90
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@ -18,7 +18,6 @@ module numerics
integer, protected, public :: & integer, protected, public :: &
iJacoStiffness = 1, & !< frequency of stiffness update iJacoStiffness = 1, & !< frequency of stiffness update
nMPstate = 10, & !< materialpoint state loop limit
randomSeed = 0, & !< fixed seeding for pseudo-random number generator, Default 0: use random seed randomSeed = 0, & !< fixed seeding for pseudo-random number generator, Default 0: use random seed
worldrank = 0, & !< MPI worldrank (/=0 for MPI simulations only) worldrank = 0, & !< MPI worldrank (/=0 for MPI simulations only)
worldsize = 1, & !< MPI worldsize (/=1 for MPI simulations only) worldsize = 1, & !< MPI worldsize (/=1 for MPI simulations only)
@ -27,9 +26,6 @@ module numerics
DAMASK_NumThreadsInt = 0 !< value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive DAMASK_NumThreadsInt = 0 !< value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive
real(pReal), protected, public :: & real(pReal), protected, public :: &
defgradTolerance = 1.0e-7_pReal, & !< deviation of deformation gradient that is still allowed (used by CPFEM to determine outdated ffn1) defgradTolerance = 1.0e-7_pReal, & !< deviation of deformation gradient that is still allowed (used by CPFEM to determine outdated ffn1)
subStepMinHomog = 1.0e-3_pReal, & !< minimum (relative) size of sub-step allowed during cutback in homogenization
subStepSizeHomog = 0.25_pReal, & !< size of first substep when cutback in homogenization
stepIncreaseHomog = 1.5_pReal, & !< increase of next substep size when previous substep converged in homogenization
numerics_unitlength = 1.0_pReal, & !< determines the physical length of one computational length unit numerics_unitlength = 1.0_pReal, & !< determines the physical length of one computational length unit
charLength = 1.0_pReal, & !< characteristic length scale for gradient problems charLength = 1.0_pReal, & !< characteristic length scale for gradient problems
residualStiffness = 1.0e-6_pReal !< non-zero residual damage residualStiffness = 1.0e-6_pReal !< non-zero residual damage
@ -138,14 +134,6 @@ subroutine numerics_init
defgradTolerance = IO_floatValue(line,chunkPos,2) defgradTolerance = IO_floatValue(line,chunkPos,2)
case ('ijacostiffness') case ('ijacostiffness')
iJacoStiffness = IO_intValue(line,chunkPos,2) iJacoStiffness = IO_intValue(line,chunkPos,2)
case ('nmpstate')
nMPstate = IO_intValue(line,chunkPos,2)
case ('substepminhomog')
subStepMinHomog = IO_floatValue(line,chunkPos,2)
case ('substepsizehomog')
subStepSizeHomog = IO_floatValue(line,chunkPos,2)
case ('stepincreasehomog')
stepIncreaseHomog = IO_floatValue(line,chunkPos,2)
case ('integrator') case ('integrator')
numerics_integrator = IO_intValue(line,chunkPos,2) numerics_integrator = IO_intValue(line,chunkPos,2)
case ('usepingpong') case ('usepingpong')
@ -239,11 +227,6 @@ subroutine numerics_init
write(6,'(a24,1x,L8)') ' use ping pong scheme: ',usepingpong write(6,'(a24,1x,L8)') ' use ping pong scheme: ',usepingpong
write(6,'(a24,1x,es8.1,/)')' unitlength: ',numerics_unitlength write(6,'(a24,1x,es8.1,/)')' unitlength: ',numerics_unitlength
write(6,'(a24,1x,es8.1)') ' subStepMinHomog: ',subStepMinHomog
write(6,'(a24,1x,es8.1)') ' subStepSizeHomog: ',subStepSizeHomog
write(6,'(a24,1x,es8.1)') ' stepIncreaseHomog: ',stepIncreaseHomog
write(6,'(a24,1x,i8,/)') ' nMPstate: ',nMPstate
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! Random seeding parameter ! Random seeding parameter
write(6,'(a16,1x,i16,/)') ' random_seed: ',randomSeed write(6,'(a16,1x,i16,/)') ' random_seed: ',randomSeed
@ -299,10 +282,6 @@ subroutine numerics_init
! sanity checks ! sanity checks
if (defgradTolerance <= 0.0_pReal) call IO_error(301,ext_msg='defgradTolerance') if (defgradTolerance <= 0.0_pReal) call IO_error(301,ext_msg='defgradTolerance')
if (iJacoStiffness < 1) call IO_error(301,ext_msg='iJacoStiffness') if (iJacoStiffness < 1) call IO_error(301,ext_msg='iJacoStiffness')
if (nMPstate < 1) call IO_error(301,ext_msg='nMPstate')
if (subStepMinHomog <= 0.0_pReal) call IO_error(301,ext_msg='subStepMinHomog')
if (subStepSizeHomog <= 0.0_pReal) call IO_error(301,ext_msg='subStepSizeHomog')
if (stepIncreaseHomog <= 0.0_pReal) call IO_error(301,ext_msg='stepIncreaseHomog')
if (numerics_integrator <= 0 .or. numerics_integrator >= 6) & if (numerics_integrator <= 0 .or. numerics_integrator >= 6) &
call IO_error(301,ext_msg='integrator') call IO_error(301,ext_msg='integrator')
if (numerics_unitlength <= 0.0_pReal) call IO_error(301,ext_msg='unitlength') if (numerics_unitlength <= 0.0_pReal) call IO_error(301,ext_msg='unitlength')