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DAMASK_EICMD
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symbolic names

This commit is contained in:
Martin Diehl 2021-07-19 22:30:20 +02:00
parent fe3bc1f8ee
commit 1c1dc9383e
7 changed files with 44 additions and 44 deletions
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28
src/grid/DAMASK_grid.f90
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@ -56,8 +56,8 @@ program DAMASK_grid
T_0 = 300.0_pReal, &
time = 0.0_pReal, & !< elapsed time
time0 = 0.0_pReal, & !< begin of interval
timeinc = 1.0_pReal, & !< current time interval
timeIncOld = 0.0_pReal, & !< previous time interval
Delta_t = 1.0_pReal, & !< current time interval
Delta_t_prev = 0.0_pReal, & !< previous time interval
remainingLoadCaseTime = 0.0_pReal !< remaining time of current load case
logical :: &
guess, & !< guess along former trajectory
@ -326,24 +326,24 @@ program DAMASK_grid
!--------------------------------------------------------------------------------------------------
! forwarding time
timeIncOld = timeinc ! last timeinc that brought former inc to an end
Delta_t_prev = Delta_t ! last time intervall that brought former inc to an end
if (dEq(loadCases(l)%r,1.0_pReal,1.e-9_pReal)) then ! linear scale
timeinc = loadCases(l)%t/real(loadCases(l)%N,pReal)
Delta_t = loadCases(l)%t/real(loadCases(l)%N,pReal)
else
timeinc = loadCases(l)%t * (loadCases(l)%r**(inc-1)-loadCases(l)%r**inc) &
Delta_t = loadCases(l)%t * (loadCases(l)%r**(inc-1)-loadCases(l)%r**inc) &
/ (1.0_pReal-loadCases(l)%r**loadCases(l)%N)
endif
timeinc = timeinc * real(subStepFactor,pReal)**real(-cutBackLevel,pReal) ! depending on cut back level, decrease time step
Delta_t = Delta_t * real(subStepFactor,pReal)**real(-cutBackLevel,pReal) ! depending on cut back level, decrease time step
skipping: if (totalIncsCounter <= interface_restartInc) then ! not yet at restart inc?
time = time + timeinc ! just advance time, skip already performed calculation
time = time + Delta_t ! just advance time, skip already performed calculation
guess = .true. ! QUESTION:why forced guessing instead of inheriting loadcase preference
else skipping
stepFraction = 0 ! fraction scaled by stepFactor**cutLevel
subStepLooping: do while (stepFraction < subStepFactor**cutBackLevel)
remainingLoadCaseTime = loadCases(l)%t+time0 - time
time = time + timeinc ! forward target time
time = time + Delta_t ! forward target time
stepFraction = stepFraction + 1 ! count step
!--------------------------------------------------------------------------------------------------
@ -365,7 +365,7 @@ program DAMASK_grid
select case(ID(field))
case(FIELD_MECH_ID)
call mechanical_forward (&
cutBack,guess,timeinc,timeIncOld,remainingLoadCaseTime, &
cutBack,guess,Delta_t,Delta_t_prev,remainingLoadCaseTime, &
deformation_BC = loadCases(l)%deformation, &
stress_BC = loadCases(l)%stress, &
rotation_BC = loadCases(l)%rot)
@ -386,9 +386,9 @@ program DAMASK_grid
case(FIELD_MECH_ID)
solres(field) = mechanical_solution(incInfo)
case(FIELD_THERMAL_ID)
solres(field) = grid_thermal_spectral_solution(timeinc)
solres(field) = grid_thermal_spectral_solution(Delta_t)
case(FIELD_DAMAGE_ID)
solres(field) = grid_damage_spectral_solution(timeinc)
solres(field) = grid_damage_spectral_solution(Delta_t)
end select
if (.not. solres(field)%converged) exit ! no solution found
@ -406,7 +406,7 @@ program DAMASK_grid
if ( (all(solres(:)%converged .and. solres(:)%stagConverged)) & ! converged
.and. .not. solres(1)%termIll) then ! and acceptable solution found
call mechanical_updateCoords
timeIncOld = timeinc
Delta_t_prev = Delta_t
cutBack = .false.
guess = .true. ! start guessing after first converged (sub)inc
if (worldrank == 0) then
@ -418,8 +418,8 @@ program DAMASK_grid
cutBack = .true.
stepFraction = (stepFraction - 1) * subStepFactor ! adjust to new denominator
cutBackLevel = cutBackLevel + 1
time = time - timeinc ! rewind time
timeinc = timeinc/real(subStepFactor,pReal) ! cut timestep
time = time - Delta_t ! rewind time
Delta_t = Delta_t/real(subStepFactor,pReal) ! cut timestep
print'(/,a)', ' cutting back '
else ! no more options to continue
if (worldrank == 0) close(statUnit)

10
src/grid/grid_damage_spectral.f90
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@ -160,10 +160,10 @@ end subroutine grid_damage_spectral_init
!--------------------------------------------------------------------------------------------------
!> @brief solution for the spectral damage scheme with internal iterations
!--------------------------------------------------------------------------------------------------
function grid_damage_spectral_solution(timeinc) result(solution)
function grid_damage_spectral_solution(Delta_t) result(solution)
real(pReal), intent(in) :: &
timeinc !< increment in time for current solution
Delta_t !< increment in time for current solution
integer :: i, j, k, ce
type(tSolutionState) :: solution
PetscInt :: devNull
@ -176,7 +176,7 @@ function grid_damage_spectral_solution(timeinc) result(solution)
!--------------------------------------------------------------------------------------------------
! set module wide availabe data
params%timeinc = timeinc
params%Delta_t = Delta_t
call SNESSolve(damage_snes,PETSC_NULL_VEC,solution_vec,ierr); CHKERRQ(ierr)
call SNESGetConvergedReason(damage_snes,reason,ierr); CHKERRQ(ierr)
@ -284,7 +284,7 @@ subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
ce = 0
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
ce = ce + 1
scalarField_real(i,j,k) = params%timeinc*(scalarField_real(i,j,k) + homogenization_f_phi(phi_current(i,j,k),ce)) &
scalarField_real(i,j,k) = params%Delta_t*(scalarField_real(i,j,k) + homogenization_f_phi(phi_current(i,j,k),ce)) &
+ homogenization_mu_phi(ce)*(phi_lastInc(i,j,k) - phi_current(i,j,k)) &
+ mu_ref*phi_current(i,j,k)
enddo; enddo; enddo
@ -292,7 +292,7 @@ subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
!--------------------------------------------------------------------------------------------------
! convolution of damage field with green operator
call utilities_FFTscalarForward
call utilities_fourierGreenConvolution(K_ref, mu_ref, params%timeinc)
call utilities_fourierGreenConvolution(K_ref, mu_ref, params%Delta_t)
call utilities_FFTscalarBackward
where(scalarField_real(1:grid(1),1:grid(2),1:grid3) > phi_lastInc) &

4
src/grid/grid_mech_FEM.f90
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@ -412,7 +412,7 @@ subroutine grid_mechanical_FEM_forward(cutBack,guess,Delta_t,Delta_t_old,t_remai
! set module wide available data
params%stress_mask = stress_BC%mask
params%rotation_BC = rotation_BC
params%timeinc = Delta_t
params%Delta_t = Delta_t
end subroutine grid_mechanical_FEM_forward
@ -568,7 +568,7 @@ subroutine formResidual(da_local,x_local, &
! evaluate constitutive response
call utilities_constitutiveResponse(P_current,&
P_av,C_volAvg,devNull, &
F,params%timeinc,params%rotation_BC)
F,params%Delta_t,params%rotation_BC)
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,MPI_COMM_WORLD,ierr)
!--------------------------------------------------------------------------------------------------

4
src/grid/grid_mech_spectral_basic.f90
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@ -354,7 +354,7 @@ subroutine grid_mechanical_spectral_basic_forward(cutBack,guess,Delta_t,Delta_t_
! set module wide available data
params%stress_mask = stress_BC%mask
params%rotation_BC = rotation_BC
params%timeinc = Delta_t
params%Delta_t = Delta_t
end subroutine grid_mechanical_spectral_basic_forward
@ -492,7 +492,7 @@ subroutine formResidual(in, F, &
! evaluate constitutive response
call utilities_constitutiveResponse(residuum, & ! "residuum" gets field of first PK stress (to save memory)
P_av,C_volAvg,C_minMaxAvg, &
F,params%timeinc,params%rotation_BC)
F,params%Delta_t,params%rotation_BC)
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,MPI_COMM_WORLD,ierr)
!--------------------------------------------------------------------------------------------------

4
src/grid/grid_mech_spectral_polarisation.f90
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@ -408,7 +408,7 @@ subroutine grid_mechanical_spectral_polarisation_forward(cutBack,guess,Delta_t,D
! set module wide available data
params%stress_mask = stress_BC%mask
params%rotation_BC = rotation_BC
params%timeinc = Delta_t
params%Delta_t = Delta_t
end subroutine grid_mechanical_spectral_polarisation_forward
@ -592,7 +592,7 @@ subroutine formResidual(in, FandF_tau, &
! evaluate constitutive response
call utilities_constitutiveResponse(residual_F, & ! "residuum" gets field of first PK stress (to save memory)
P_av,C_volAvg,C_minMaxAvg, &
F - residual_F_tau/num%beta,params%timeinc,params%rotation_BC)
F - residual_F_tau/num%beta,params%Delta_t,params%rotation_BC)
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,MPI_COMM_WORLD,ierr)
!--------------------------------------------------------------------------------------------------

14
src/grid/grid_thermal_spectral.f90
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@ -155,10 +155,10 @@ end subroutine grid_thermal_spectral_init
!--------------------------------------------------------------------------------------------------
!> @brief solution for the spectral thermal scheme with internal iterations
!--------------------------------------------------------------------------------------------------
function grid_thermal_spectral_solution(timeinc) result(solution)
function grid_thermal_spectral_solution(Delta_t) result(solution)
real(pReal), intent(in) :: &
timeinc !< increment in time for current solution
Delta_t !< increment in time for current solution
integer :: i, j, k, ce
type(tSolutionState) :: solution
PetscInt :: devNull
@ -171,7 +171,7 @@ function grid_thermal_spectral_solution(timeinc) result(solution)
!--------------------------------------------------------------------------------------------------
! set module wide availabe data
params%timeinc = timeinc
params%Delta_t = Delta_t
call SNESSolve(thermal_snes,PETSC_NULL_VEC,solution_vec,ierr); CHKERRQ(ierr)
call SNESGetConvergedReason(thermal_snes,reason,ierr); CHKERRQ(ierr)
@ -195,7 +195,7 @@ function grid_thermal_spectral_solution(timeinc) result(solution)
ce = 0
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
ce = ce + 1
call homogenization_thermal_setField(T_current(i,j,k),(T_current(i,j,k)-T_lastInc(i,j,k))/params%timeinc,ce)
call homogenization_thermal_setField(T_current(i,j,k),(T_current(i,j,k)-T_lastInc(i,j,k))/params%Delta_t,ce)
enddo; enddo; enddo
call VecMin(solution_vec,devNull,T_min,ierr); CHKERRQ(ierr)
@ -233,7 +233,7 @@ subroutine grid_thermal_spectral_forward(cutBack)
ce = 0
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
ce = ce + 1
call homogenization_thermal_setField(T_current(i,j,k),(T_current(i,j,k)-T_lastInc(i,j,k))/params%timeinc,ce)
call homogenization_thermal_setField(T_current(i,j,k),(T_current(i,j,k)-T_lastInc(i,j,k))/params%Delta_t,ce)
enddo; enddo; enddo
else
T_lastInc = T_current
@ -279,7 +279,7 @@ subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
ce = 0
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
ce = ce + 1
scalarField_real(i,j,k) = params%timeinc*(scalarField_real(i,j,k) + homogenization_f_T(ce)) &
scalarField_real(i,j,k) = params%Delta_t*(scalarField_real(i,j,k) + homogenization_f_T(ce)) &
+ homogenization_mu_T(ce) * (T_lastInc(i,j,k) - T_current(i,j,k)) &
+ mu_ref*T_current(i,j,k)
enddo; enddo; enddo
@ -287,7 +287,7 @@ subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
!--------------------------------------------------------------------------------------------------
! convolution of temperature field with green operator
call utilities_FFTscalarForward
call utilities_fourierGreenConvolution(K_ref, mu_ref, params%timeinc)
call utilities_fourierGreenConvolution(K_ref, mu_ref, params%Delta_t)
call utilities_FFTscalarBackward
!--------------------------------------------------------------------------------------------------

24
src/grid/spectral_utilities.f90
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@ -96,7 +96,7 @@ module spectral_utilities
real(pReal), dimension(3,3) :: stress_BC
logical, dimension(3,3) :: stress_mask
type(rotation) :: rotation_BC
real(pReal) :: timeinc
real(pReal) :: Delta_t
end type tSolutionParams
type :: tNumerics
@ -791,16 +791,16 @@ end subroutine utilities_fourierTensorDivergence
!--------------------------------------------------------------------------------------------------
!> @brief calculate constitutive response from homogenization_F0 to F during timeinc
!> @brief calculate constitutive response from homogenization_F0 to F during Delta_t
!--------------------------------------------------------------------------------------------------
subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
F,timeinc,rotation_BC)
F,Delta_t,rotation_BC)
real(pReal), intent(out), dimension(3,3,3,3) :: C_volAvg, C_minmaxAvg !< average stiffness
real(pReal), intent(out), dimension(3,3) :: P_av !< average PK stress
real(pReal), intent(out), dimension(3,3,grid(1),grid(2),grid3) :: P !< PK stress
real(pReal), intent(in), dimension(3,3,grid(1),grid(2),grid3) :: F !< deformation gradient target
real(pReal), intent(in) :: timeinc !< loading time
real(pReal), intent(in) :: Delta_t !< loading time
type(rotation), intent(in), optional :: rotation_BC !< rotation of load frame
@ -815,11 +815,11 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
homogenization_F = reshape(F,[3,3,product(grid(1:2))*grid3]) ! set materialpoint target F to estimated field
call homogenization_mechanical_response(timeinc,[1,1],[1,product(grid(1:2))*grid3]) ! calculate P field
call homogenization_mechanical_response(Delta_t,[1,1],[1,product(grid(1:2))*grid3]) ! calculate P field
if (.not. terminallyIll) &
call homogenization_thermal_response(timeinc,[1,1],[1,product(grid(1:2))*grid3])
call homogenization_thermal_response(Delta_t,[1,1],[1,product(grid(1:2))*grid3])
if (.not. terminallyIll) &
call homogenization_mechanical_response2(timeinc,[1,1],[1,product(grid(1:2))*grid3])
call homogenization_mechanical_response2(Delta_t,[1,1],[1,product(grid(1:2))*grid3])
P = reshape(homogenization_P, [3,3,grid(1),grid(2),grid3])
P_av = sum(sum(sum(P,dim=5),dim=4),dim=3) * wgt
@ -870,14 +870,14 @@ end subroutine utilities_constitutiveResponse
!--------------------------------------------------------------------------------------------------
!> @brief calculates forward rate, either guessing or just add delta/timeinc
!> @brief calculates forward rate, either guessing or just add delta/Delta_t
!--------------------------------------------------------------------------------------------------
pure function utilities_calculateRate(heterogeneous,field0,field,dt,avRate)
real(pReal), intent(in), dimension(3,3) :: &
avRate !< homogeneous addon
real(pReal), intent(in) :: &
dt !< timeinc between field0 and field
dt !< Delta_t between field0 and field
logical, intent(in) :: &
heterogeneous !< calculate field of rates
real(pReal), intent(in), dimension(3,3,grid(1),grid(2),grid3) :: &
@ -899,10 +899,10 @@ end function utilities_calculateRate
!> @brief forwards a field with a pointwise given rate, if aim is given,
!> ensures that the average matches the aim
!--------------------------------------------------------------------------------------------------
function utilities_forwardField(timeinc,field_lastInc,rate,aim)
function utilities_forwardField(Delta_t,field_lastInc,rate,aim)
real(pReal), intent(in) :: &
timeinc !< timeinc of current step
Delta_t !< Delta_t of current step
real(pReal), intent(in), dimension(3,3,grid(1),grid(2),grid3) :: &
field_lastInc, & !< initial field
rate !< rate by which to forward
@ -913,7 +913,7 @@ function utilities_forwardField(timeinc,field_lastInc,rate,aim)
real(pReal), dimension(3,3) :: fieldDiff !< <a + adot*t> - aim
PetscErrorCode :: ierr
utilities_forwardField = field_lastInc + rate*timeinc
utilities_forwardField = field_lastInc + rate*Delta_t
if (present(aim)) then !< correct to match average
fieldDiff = sum(sum(sum(utilities_forwardField,dim=5),dim=4),dim=3)*wgt
call MPI_Allreduce(MPI_IN_PLACE,fieldDiff,9,MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,ierr)