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store data where it is needed 

avoid globals, even if they are read only
This commit is contained in:
Martin Diehl 2020-03-16 21:39:53 +01:00
parent 0bb7fea782
commit e4792e56fb
2 changed files with 190 additions and 218 deletions
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73
src/homogenization_mech_RGC.f90
View File

@ -43,6 +43,23 @@ submodule(homogenization) homogenization_mech_RGC
orientation
end type tRGCdependentState
type :: tNumerics
real(pReal) :: &
atol, & !< absolute tolerance of RGC residuum
rtol, & !< relative tolerance of RGC residuum
absMax, & !< absolute maximum of RGC residuum
relMax, & !< relative maximum of RGC residuum
pPert, & !< perturbation for computing RGC penalty tangent
xSmoo, & !< RGC penalty smoothing parameter (hyperbolic tangent)
viscPower, & !< power (sensitivity rate) of numerical viscosity in RGC scheme, Default 1.0e0: Newton viscosity (linear model)
viscModus, & !< stress modulus of RGC numerical viscosity, Default 0.0e0: No viscosity is applied
refRelaxRate, & !< reference relaxation rate in RGC viscosity
maxdRelax, & !< threshold of maximum relaxation vector increment (if exceed this then cutback)
maxVolDiscr, & !< threshold of maximum volume discrepancy allowed
volDiscrMod, & !< stiffness of RGC volume discrepancy (zero = without volume discrepancy constraint)
volDiscrPow !< powerlaw penalty for volume discrepancy
end type tNumerics
type(tparameters), dimension(:), allocatable :: &
param
type(tRGCstate), dimension(:), allocatable :: &
@ -50,6 +67,8 @@ submodule(homogenization) homogenization_mech_RGC
state0
type(tRGCdependentState), dimension(:), allocatable :: &
dependentState
type(tNumerics) :: &
num ! numerics parameters. Better name?
contains
@ -64,7 +83,6 @@ module subroutine mech_RGC_init
NofMyHomog, &
sizeState, nIntFaceTot
write(6,'(/,a)') ' <<<+- homogenization_'//HOMOGENIZATION_RGC_label//' init -+>>>'; flush(6)
write(6,'(/,a)') ' Tjahjanto et al., International Journal of Material Forming 2(1):939–942, 2009'
@ -82,6 +100,33 @@ module subroutine mech_RGC_init
allocate(state0(Ninstance))
allocate(dependentState(Ninstance))
num%atol = config_numerics%getFloat('atol_rgc', defaultVal=1.0e+4_pReal)
num%rtol = config_numerics%getFloat('rtol_rgc', defaultVal=1.0e-3_pReal)
num%absMax = config_numerics%getFloat('amax_rgc', defaultVal=1.0e+10_pReal)
num%relMax = config_numerics%getFloat('rmax_rgc', defaultVal=1.0e+2_pReal)
num%pPert = config_numerics%getFloat('perturbpenalty_rgc', defaultVal=1.0e-7_pReal)
num%xSmoo = config_numerics%getFloat('relvantmismatch_rgc', defaultVal=1.0e-5_pReal)
num%viscPower = config_numerics%getFloat('viscositypower_rgc', defaultVal=1.0e+0_pReal)
num%viscModus = config_numerics%getFloat('viscositymodulus_rgc', defaultVal=0.0e+0_pReal)
num%refRelaxRate = config_numerics%getFloat('refrelaxationrate_rgc',defaultVal=1.0e-3_pReal)
num%maxdRelax = config_numerics%getFloat('maxrelaxationrate_rgc',defaultVal=1.0e+0_pReal)
num%maxVolDiscr = config_numerics%getFloat('maxvoldiscrepancy_rgc',defaultVal=1.0e-5_pReal)
num%volDiscrMod = config_numerics%getFloat('voldiscrepancymod_rgc',defaultVal=1.0e+12_pReal)
num%volDiscrPow = config_numerics%getFloat('dicrepancypower_rgc', defaultVal=5.0_pReal)
if (num%atol <= 0.0_pReal) call IO_error(301,ext_msg='absTol_RGC')
if (num%rtol <= 0.0_pReal) call IO_error(301,ext_msg='relTol_RGC')
if (num%absMax <= 0.0_pReal) call IO_error(301,ext_msg='absMax_RGC')
if (num%relMax <= 0.0_pReal) call IO_error(301,ext_msg='relMax_RGC')
if (num%pPert <= 0.0_pReal) call IO_error(301,ext_msg='pPert_RGC')
if (num%xSmoo <= 0.0_pReal) call IO_error(301,ext_msg='xSmoo_RGC')
if (num%viscPower < 0.0_pReal) call IO_error(301,ext_msg='viscPower_RGC')
if (num%viscModus < 0.0_pReal) call IO_error(301,ext_msg='viscModus_RGC')
if (num%refRelaxRate <= 0.0_pReal) call IO_error(301,ext_msg='refRelaxRate_RGC')
if (num%maxdRelax <= 0.0_pReal) call IO_error(301,ext_msg='maxdRelax_RGC')
if (num%maxVolDiscr <= 0.0_pReal) call IO_error(301,ext_msg='maxVolDiscr_RGC')
if (num%volDiscrMod < 0.0_pReal) call IO_error(301,ext_msg='volDiscrMod_RGC')
if (num%volDiscrPow <= 0.0_pReal) call IO_error(301,ext_msg='volDiscrPw_RGC')
do h = 1, size(homogenization_type)
if (homogenization_type(h) /= HOMOGENIZATION_RGC_ID) cycle
@ -97,6 +142,8 @@ module subroutine mech_RGC_init
endif
#endif
prm%output = config%getStrings('(output)',defaultVal=emptyStringArray)
prm%Nconstituents = config%getInts('clustersize',requiredSize=3)
if (homogenization_Ngrains(h) /= product(prm%Nconstituents)) &
call IO_error(211,ext_msg='clustersize ('//HOMOGENIZATION_RGC_label//')')
@ -107,8 +154,6 @@ module subroutine mech_RGC_init
prm%dAlpha = config%getFloats('grainsize', requiredSize=3)
prm%angles = config%getFloats('clusterorientation',requiredSize=3)
prm%output = config%getStrings('(output)',defaultVal=emptyStringArray)
NofMyHomog = count(material_homogenizationAt == h)
nIntFaceTot = 3*( (prm%Nconstituents(1)-1)*prm%Nconstituents(2)*prm%Nconstituents(3) &
+ prm%Nconstituents(1)*(prm%Nconstituents(2)-1)*prm%Nconstituents(3) &
@ -296,7 +341,7 @@ module procedure mech_RGC_updateState
!--------------------------------------------------------------------------------------------------
! compute the residual of traction at the interface (in local system, 4-dimensional index)
do i = 1,3
tract(iNum,i) = sign(viscModus_RGC*(abs(drelax(i+3*(iNum-1)))/(refRelaxRate_RGC*dt))**viscPower_RGC, &
tract(iNum,i) = sign(num%viscModus*(abs(drelax(i+3*(iNum-1)))/(num%refRelaxRate*dt))**num%viscPower, &
drelax(i+3*(iNum-1))) ! contribution from the relaxation viscosity
do j = 1,3
tract(iNum,i) = tract(iNum,i) + (P(i,j,iGrP) + R(i,j,iGrP) + D(i,j,iGrP))*normP(j) & ! contribution from material stress P, mismatch penalty R, and volume penalty D projected into the interface
@ -337,7 +382,7 @@ module procedure mech_RGC_updateState
!--------------------------------------------------------------------------------------------------
! If convergence reached => done and happy
if (residMax < relTol_RGC*stresMax .or. residMax < absTol_RGC) then
if (residMax < num%rtol*stresMax .or. residMax < num%atol) then
mech_RGC_updateState = .true.
#ifdef DEBUG
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0 .and. prm%of_debug == of) &
@ -377,7 +422,7 @@ module procedure mech_RGC_updateState
!--------------------------------------------------------------------------------------------------
! if residual blows-up => done but unhappy
elseif (residMax > relMax_RGC*stresMax .or. residMax > absMax_RGC) then ! try to restart when residual blows up exceeding maximum bound
elseif (residMax > num%relMax*stresMax .or. residMax > num%absMax) then ! try to restart when residual blows up exceeding maximum bound
mech_RGC_updateState = [.true.,.false.] ! with direct cut-back
#ifdef DEBUG
@ -465,7 +510,7 @@ module procedure mech_RGC_updateState
do ipert = 1,3*nIntFaceTot
p_relax = relax
p_relax(ipert) = relax(ipert) + pPert_RGC ! perturb the relaxation vector
p_relax(ipert) = relax(ipert) + num%pPert ! perturb the relaxation vector
stt%relaxationVector(:,of) = p_relax
call grainDeformation(pF,avgF,instance,of) ! rain deformation from perturbed state
call stressPenalty(pR,DevNull, avgF,pF,ip,el,instance,of) ! stress penalty due to interface mismatch from perturbed state
@ -502,7 +547,7 @@ module procedure mech_RGC_updateState
+ (pD(i,j,iGrN) - D(i,j,iGrN))*normN(j)
enddo; enddo
enddo
pmatrix(:,ipert) = p_resid/pPert_RGC
pmatrix(:,ipert) = p_resid/num%pPert
enddo
#ifdef DEBUG
@ -520,8 +565,8 @@ module procedure mech_RGC_updateState
! ... of the numerical viscosity traction "rmatrix"
allocate(rmatrix(3*nIntFaceTot,3*nIntFaceTot),source=0.0_pReal)
do i=1,3*nIntFaceTot
rmatrix(i,i) = viscModus_RGC*viscPower_RGC/(refRelaxRate_RGC*dt)* & ! tangent due to numerical viscosity traction appears
(abs(drelax(i))/(refRelaxRate_RGC*dt))**(viscPower_RGC - 1.0_pReal) ! only in the main diagonal term
rmatrix(i,i) = num%viscModus*num%viscPower/(num%refRelaxRate*dt)* & ! tangent due to numerical viscosity traction appears
(abs(drelax(i))/(num%refRelaxRate*dt))**(num%viscPower - 1.0_pReal) ! only in the main diagonal term
enddo
#ifdef DEBUG
@ -573,7 +618,7 @@ module procedure mech_RGC_updateState
drelax(i) = drelax(i) - jnverse(i,j)*resid(j) ! Calculate the correction for the state variable
enddo; enddo
stt%relaxationVector(:,of) = relax + drelax ! Updateing the state variable for the next iteration
if (any(abs(drelax) > maxdRelax_RGC)) then ! Forcing cutback when the incremental change of relaxation vector becomes too large
if (any(abs(drelax) > num%maxdRelax)) then ! Forcing cutback when the incremental change of relaxation vector becomes too large
mech_RGC_updateState = [.true.,.false.]
!$OMP CRITICAL (write2out)
write(6,'(1x,a,1x,i3,1x,a,1x,i3,1x,a)')'RGC_updateState: ip',ip,'| el',el,'enforces cutback'
@ -690,7 +735,7 @@ module procedure mech_RGC_updateState
*surfCorr(abs(intFace(1)))/prm%dAlpha(abs(intFace(1))) &
*cosh(prm%ciAlpha*nDefNorm) &
*0.5_pReal*nVect(l)*nDef(i,k)/nDefNorm*math_LeviCivita(k,l,j) &
*tanh(nDefNorm/xSmoo_RGC)
*tanh(nDefNorm/num%xSmoo)
enddo; enddo;enddo; enddo
enddo interfaceLoop
#ifdef DEBUG
@ -738,8 +783,8 @@ module procedure mech_RGC_updateState
! calculate the stress and penalty due to volume discrepancy
vPen = 0.0_pReal
do i = 1,nGrain
vPen(:,:,i) = -1.0_pReal/real(nGrain,pReal)*volDiscrMod_RGC*volDiscrPow_RGC/maxVolDiscr_RGC* &
sign((abs(vDiscrep)/maxVolDiscr_RGC)**(volDiscrPow_RGC - 1.0),vDiscrep)* &
vPen(:,:,i) = -1.0_pReal/real(nGrain,pReal)*num%volDiscrMod*num%volDiscrPow/num%maxVolDiscr* &
sign((abs(vDiscrep)/num%maxVolDiscr)**(num%volDiscrPow - 1.0),vDiscrep)* &
gVol(i)*transpose(math_inv33(fDef(:,:,i)))
#ifdef DEBUG

73
src/numerics.f90
View File

@ -31,19 +31,6 @@ module numerics
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
absTol_RGC = 1.0e+4_pReal, & !< absolute tolerance of RGC residuum
relTol_RGC = 1.0e-3_pReal, & !< relative tolerance of RGC residuum
absMax_RGC = 1.0e+10_pReal, & !< absolute maximum of RGC residuum
relMax_RGC = 1.0e+2_pReal, & !< relative maximum of RGC residuum
pPert_RGC = 1.0e-7_pReal, & !< perturbation for computing RGC penalty tangent
xSmoo_RGC = 1.0e-5_pReal, & !< RGC penalty smoothing parameter (hyperbolic tangent)
viscPower_RGC = 1.0e+0_pReal, & !< power (sensitivity rate) of numerical viscosity in RGC scheme, Default 1.0e0: Newton viscosity (linear model)
viscModus_RGC = 0.0e+0_pReal, & !< stress modulus of RGC numerical viscosity, Default 0.0e0: No viscosity is applied
refRelaxRate_RGC = 1.0e-3_pReal, & !< reference relaxation rate in RGC viscosity
maxdRelax_RGC = 1.0e+0_pReal, & !< threshold of maximum relaxation vector increment (if exceed this then cutback)
maxVolDiscr_RGC = 1.0e-5_pReal, & !< threshold of maximum volume discrepancy allowed
volDiscrMod_RGC = 1.0e+12_pReal, & !< stiffness of RGC volume discrepancy (zero = without volume discrepancy constraint)
volDiscrPow_RGC = 5.0_pReal, & !< powerlaw penalty for volume discrepancy
charLength = 1.0_pReal, & !< characteristic length scale for gradient problems
residualStiffness = 1.0e-6_pReal !< non-zero residual damage
logical, protected, public :: &
@ -179,35 +166,6 @@ subroutine numerics_init
case ('unitlength')
numerics_unitlength = IO_floatValue(line,chunkPos,2)
!--------------------------------------------------------------------------------------------------
! RGC parameters
case ('atol_rgc')
absTol_RGC = IO_floatValue(line,chunkPos,2)
case ('rtol_rgc')
relTol_RGC = IO_floatValue(line,chunkPos,2)
case ('amax_rgc')
absMax_RGC = IO_floatValue(line,chunkPos,2)
case ('rmax_rgc')
relMax_RGC = IO_floatValue(line,chunkPos,2)
case ('perturbpenalty_rgc')
pPert_RGC = IO_floatValue(line,chunkPos,2)
case ('relevantmismatch_rgc')
xSmoo_RGC = IO_floatValue(line,chunkPos,2)
case ('viscositypower_rgc')
viscPower_RGC = IO_floatValue(line,chunkPos,2)
case ('viscositymodulus_rgc')
viscModus_RGC = IO_floatValue(line,chunkPos,2)
case ('refrelaxationrate_rgc')
refRelaxRate_RGC = IO_floatValue(line,chunkPos,2)
case ('maxrelaxation_rgc')
maxdRelax_RGC = IO_floatValue(line,chunkPos,2)
case ('maxvoldiscrepancy_rgc')
maxVolDiscr_RGC = IO_floatValue(line,chunkPos,2)
case ('voldiscrepancymod_rgc')
volDiscrMod_RGC = IO_floatValue(line,chunkPos,2)
case ('discrepancypower_rgc')
volDiscrPow_RGC = IO_floatValue(line,chunkPos,2)
!--------------------------------------------------------------------------------------------------
! random seeding parameter
case ('random_seed','fixed_seed')
@ -280,8 +238,6 @@ subroutine numerics_init
#endif
end select
enddo
else fileExists
write(6,'(a,/)') ' using standard values'
flush(6)
@ -301,21 +257,6 @@ subroutine numerics_init
write(6,'(a24,1x,es8.1)') ' stepIncreaseHomog: ',stepIncreaseHomog
write(6,'(a24,1x,i8,/)') ' nMPstate: ',nMPstate
!--------------------------------------------------------------------------------------------------
! RGC parameters
write(6,'(a24,1x,es8.1)') ' aTol_RGC: ',absTol_RGC
write(6,'(a24,1x,es8.1)') ' rTol_RGC: ',relTol_RGC
write(6,'(a24,1x,es8.1)') ' aMax_RGC: ',absMax_RGC
write(6,'(a24,1x,es8.1)') ' rMax_RGC: ',relMax_RGC
write(6,'(a24,1x,es8.1)') ' perturbPenalty_RGC: ',pPert_RGC
write(6,'(a24,1x,es8.1)') ' relevantMismatch_RGC: ',xSmoo_RGC
write(6,'(a24,1x,es8.1)') ' viscosityrate_RGC: ',viscPower_RGC
write(6,'(a24,1x,es8.1)') ' viscositymodulus_RGC: ',viscModus_RGC
write(6,'(a24,1x,es8.1)') ' maxrelaxation_RGC: ',maxdRelax_RGC
write(6,'(a24,1x,es8.1)') ' maxVolDiscrepancy_RGC: ',maxVolDiscr_RGC
write(6,'(a24,1x,es8.1)') ' volDiscrepancyMod_RGC: ',volDiscrMod_RGC
write(6,'(a24,1x,es8.1,/)') ' discrepancyPower_RGC: ',volDiscrPow_RGC
!--------------------------------------------------------------------------------------------------
! Random seeding parameter
write(6,'(a16,1x,i16,/)') ' random_seed: ',randomSeed
@ -367,7 +308,6 @@ subroutine numerics_init
write(6,'(a24,1x,L8)') ' B-Bar stabilisation: ',BBarStabilisation
#endif
!--------------------------------------------------------------------------------------------------
! sanity checks
if (defgradTolerance <= 0.0_pReal) call IO_error(301,ext_msg='defgradTolerance')
@ -379,19 +319,6 @@ subroutine numerics_init
if (numerics_integrator <= 0 .or. numerics_integrator >= 6) &
call IO_error(301,ext_msg='integrator')
if (numerics_unitlength <= 0.0_pReal) call IO_error(301,ext_msg='unitlength')
if (absTol_RGC <= 0.0_pReal) call IO_error(301,ext_msg='absTol_RGC')
if (relTol_RGC <= 0.0_pReal) call IO_error(301,ext_msg='relTol_RGC')
if (absMax_RGC <= 0.0_pReal) call IO_error(301,ext_msg='absMax_RGC')
if (relMax_RGC <= 0.0_pReal) call IO_error(301,ext_msg='relMax_RGC')
if (pPert_RGC <= 0.0_pReal) call IO_error(301,ext_msg='pPert_RGC')
if (xSmoo_RGC <= 0.0_pReal) call IO_error(301,ext_msg='xSmoo_RGC')
if (viscPower_RGC < 0.0_pReal) call IO_error(301,ext_msg='viscPower_RGC')
if (viscModus_RGC < 0.0_pReal) call IO_error(301,ext_msg='viscModus_RGC')
if (refRelaxRate_RGC <= 0.0_pReal) call IO_error(301,ext_msg='refRelaxRate_RGC')
if (maxdRelax_RGC <= 0.0_pReal) call IO_error(301,ext_msg='maxdRelax_RGC')
if (maxVolDiscr_RGC <= 0.0_pReal) call IO_error(301,ext_msg='maxVolDiscr_RGC')
if (volDiscrMod_RGC < 0.0_pReal) call IO_error(301,ext_msg='volDiscrMod_RGC')
if (volDiscrPow_RGC <= 0.0_pReal) call IO_error(301,ext_msg='volDiscrPw_RGC')
if (residualStiffness < 0.0_pReal) call IO_error(301,ext_msg='residualStiffness')
if (itmax <= 1) call IO_error(301,ext_msg='itmax')
if (itmin > itmax .or. itmin < 1) call IO_error(301,ext_msg='itmin')