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avoid duplicated storage of solution vector/T 

polished variable names and simplified expressions
This commit is contained in:
Martin Diehl 2023-07-16 03:14:49 +02:00
parent 15b490fd87
commit 09b0cc3101
1 changed files with 78 additions and 77 deletions
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155
src/grid/grid_thermal_spectral.f90
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@ -46,9 +46,8 @@ module grid_thermal_spectral
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! PETSc data ! PETSc data
SNES :: SNES_thermal SNES :: SNES_thermal
Vec :: solution_vec Vec :: T_PETSc
real(pREAL), dimension(:,:,:), allocatable :: & real(pREAL), dimension(:,:,:), allocatable :: &
T, & !< field of current temperature
T_lastInc, & !< field of previous temperature T_lastInc, & !< field of previous temperature
T_stagInc, & !< field of staggered temperature T_stagInc, & !< field of staggered temperature
dotT_lastInc dotT_lastInc
@ -73,8 +72,8 @@ subroutine grid_thermal_spectral_init()
PetscInt, dimension(0:worldsize-1) :: localK PetscInt, dimension(0:worldsize-1) :: localK
integer :: i, j, k, ce integer :: i, j, k, ce
DM :: thermal_grid DM :: DM_thermal
real(pREAL), dimension(:,:,:), pointer :: T_PETSc real(pREAL), dimension(:,:,:), pointer :: T ! 0-indexed
integer(MPI_INTEGER_KIND) :: err_MPI integer(MPI_INTEGER_KIND) :: err_MPI
PetscErrorCode :: err_PETSc PetscErrorCode :: err_PETSc
integer(HID_T) :: fileHandle, groupHandle integer(HID_T) :: fileHandle, groupHandle
@ -108,13 +107,6 @@ subroutine grid_thermal_spectral_init()
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_grid%get_asStr('petsc_options',defaultVal=''),err_PETSc) call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_grid%get_asStr('petsc_options',defaultVal=''),err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
!--------------------------------------------------------------------------------------------------
! init fields
T = discretization_grid_getInitialCondition('T')
T_lastInc = T
T_stagInc = T
dotT_lastInc = 0.0_pREAL * T
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! initialize solver specific parts of PETSc ! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,SNES_thermal,err_PETSc) call SNESCreate(PETSC_COMM_WORLD,SNES_thermal,err_PETSc)
@ -132,21 +124,23 @@ subroutine grid_thermal_spectral_init()
1_pPetscInt, 1_pPetscInt, int(worldsize,pPetscInt), & 1_pPetscInt, 1_pPetscInt, int(worldsize,pPetscInt), &
1_pPetscInt, 0_pPetscInt, & ! #dof (T, scalar), ghost boundary width (domain overlap) 1_pPetscInt, 0_pPetscInt, & ! #dof (T, scalar), ghost boundary width (domain overlap)
[int(cells(1),pPetscInt)],[int(cells(2),pPetscInt)],localK, & ! local cells [int(cells(1),pPetscInt)],[int(cells(2),pPetscInt)],localK, & ! local cells
thermal_grid,err_PETSc) ! handle, error DM_thermal,err_PETSc) ! handle, error
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMsetFromOptions(thermal_grid,err_PETSc) call DMsetFromOptions(DM_thermal,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMsetUp(thermal_grid,err_PETSc) call DMsetUp(DM_thermal,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMCreateGlobalVector(thermal_grid,solution_vec,err_PETSc) ! global solution vector (cells x 1, i.e. every def grad tensor) call DMCreateGlobalVector(DM_thermal,T_PETSc,err_PETSc) ! global solution vector (cells x 1, i.e. every def grad tensor)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMDASNESSetFunctionLocal(thermal_grid,INSERT_VALUES,formResidual,PETSC_NULL_SNES,err_PETSc) ! residual vector of same shape as solution vector call DMDASNESSetFunctionLocal(DM_thermal,INSERT_VALUES,formResidual,PETSC_NULL_SNES,err_PETSc) ! residual vector of same shape as solution vector
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESSetDM(SNES_thermal,thermal_grid,err_PETSc) call SNESSetDM(SNES_thermal,DM_thermal,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESSetFromOptions(SNES_thermal,err_PETSc) ! pull it all together with additional CLI arguments call SNESSetFromOptions(SNES_thermal,err_PETSc) ! pull it all together with additional CLI arguments
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMDAVecGetArrayF90(DM_thermal,T_PETSc,T,err_PETSc) ! returns 0-indexed T
CHKERRQ(err_PETSc)
restartRead: if (CLI_restartInc > 0) then restartRead: if (CLI_restartInc > 0) then
print'(/,1x,a,1x,i0)', 'loading restart data of increment', CLI_restartInc print'(/,1x,a,1x,i0)', 'loading restart data of increment', CLI_restartInc
@ -158,20 +152,23 @@ subroutine grid_thermal_spectral_init()
T = reshape(tempN,[cells(1),cells(2),cells3]) T = reshape(tempN,[cells(1),cells(2),cells3])
call HDF5_read(tempN,groupHandle,'T_lastInc',.false.) call HDF5_read(tempN,groupHandle,'T_lastInc',.false.)
T_lastInc = reshape(tempN,[cells(1),cells(2),cells3]) T_lastInc = reshape(tempN,[cells(1),cells(2),cells3])
T_stagInc = T_lastInc
call HDF5_read(tempN,groupHandle,'dotT_lastInc',.false.) call HDF5_read(tempN,groupHandle,'dotT_lastInc',.false.)
dotT_lastInc = reshape(tempN,[cells(1),cells(2),cells3]) dotT_lastInc = reshape(tempN,[cells(1),cells(2),cells3])
else
T = discretization_grid_getInitialCondition('T')
T_lastInc = T(0:,0:,0:)
T_stagInc = T_lastInc
dotT_lastInc = 0.0_pREAL * T_lastInc
end if restartRead end if restartRead
ce = 0 ce = 0
do k = 1, cells3; do j = 1, cells(2); do i = 1, cells(1) do k = 0, cells3-1; do j = 0, cells(2)-1; do i = 0, cells(1)-1
ce = ce + 1 ce = ce + 1
call homogenization_thermal_setField(T(i,j,k),0.0_pREAL,ce) call homogenization_thermal_setField(T(i,j,k),0.0_pREAL,ce)
end do; end do; end do end do; end do; end do
call DMDAVecGetArrayF90(thermal_grid,solution_vec,T_PETSc,err_PETSc) call DMDAVecRestoreArrayF90(DM_thermal,T_PETSc,T,err_PETSc)
CHKERRQ(err_PETSc)
T_PETSc = T
call DMDAVecRestoreArrayF90(thermal_grid,solution_vec,T_PETSc,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call updateReference() call updateReference()
@ -186,37 +183,43 @@ function grid_thermal_spectral_solution(Delta_t) result(solution)
real(pREAL), intent(in) :: & real(pREAL), intent(in) :: &
Delta_t !< increment in time for current solution Delta_t !< increment in time for current solution
integer :: i, j, k, ce integer :: i, j, k, ce
type(tSolutionState) :: solution type(tSolutionState) :: solution
PetscInt :: devNull PetscInt :: devNull
PetscReal :: T_min, T_max, stagNorm PetscReal :: T_min, T_max, stagNorm
DM :: DM_thermal
real(pREAL), dimension(:,:,:), pointer :: T ! 0-indexed
integer(MPI_INTEGER_KIND) :: err_MPI integer(MPI_INTEGER_KIND) :: err_MPI
PetscErrorCode :: err_PETSc PetscErrorCode :: err_PETSc
SNESConvergedReason :: reason SNESConvergedReason :: reason
solution%converged = .false. solution%converged = .false.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! set module wide availabe data ! set module wide availabe data
params%Delta_t = Delta_t params%Delta_t = Delta_t
call SNESSolve(SNES_thermal,PETSC_NULL_VEC,solution_vec,err_PETSc) call SNESSolve(SNES_thermal,PETSC_NULL_VEC,T_PETSc,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESGetConvergedReason(SNES_thermal,reason,err_PETSc) call SNESGetConvergedReason(SNES_thermal,reason,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
if (reason < 1) then solution%converged = reason > 0
solution%converged = .false. solution%iterationsNeeded = merge(totalIter,num%itmax,solution%converged)
solution%iterationsNeeded = num%itmax
else call SNESGetDM(SNES_thermal,DM_thermal,err_PETSc)
solution%converged = .true. CHKERRQ(err_PETSc)
solution%iterationsNeeded = totalIter call DMDAVecGetArrayF90(DM_thermal,T_PETSc,T,err_PETSc) ! returns 0-indexed T
end if CHKERRQ(err_PETSc)
stagNorm = maxval(abs(T - T_stagInc)) stagNorm = maxval(abs(T - T_stagInc))
T_min = minval(T)
T_max = maxval(T)
call MPI_Allreduce(MPI_IN_PLACE,stagNorm,1_MPI_INTEGER_KIND,MPI_DOUBLE,MPI_MAX,MPI_COMM_WORLD,err_MPI) call MPI_Allreduce(MPI_IN_PLACE,stagNorm,1_MPI_INTEGER_KIND,MPI_DOUBLE,MPI_MAX,MPI_COMM_WORLD,err_MPI)
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error' if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
solution%stagConverged = stagNorm < max(num%eps_thermal_atol, num%eps_thermal_rtol*maxval(T)) solution%stagConverged = stagNorm < max(num%eps_thermal_atol, num%eps_thermal_rtol*T_max)
call MPI_Allreduce(MPI_IN_PLACE,solution%stagConverged,1_MPI_INTEGER_KIND,MPI_LOGICAL,MPI_LAND,MPI_COMM_WORLD,err_MPI) call MPI_Allreduce(MPI_IN_PLACE,solution%stagConverged,1_MPI_INTEGER_KIND,MPI_LOGICAL,MPI_LAND,MPI_COMM_WORLD,err_MPI)
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error' if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
T_stagInc = T T_stagInc = T
@ -224,15 +227,14 @@ function grid_thermal_spectral_solution(Delta_t) result(solution)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! updating thermal state ! updating thermal state
ce = 0 ce = 0
do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1) do k = 0, cells3-1; do j = 0, cells(2)-1; do i = 0, cells(1)-1
ce = ce + 1 ce = ce + 1
call homogenization_thermal_setField(T(i,j,k),(T(i,j,k)-T_lastInc(i,j,k))/params%Delta_t,ce) call homogenization_thermal_setField(T(i,j,k),(T(i,j,k)-T_lastInc(i+1,j+1,k+1))/params%Delta_t,ce)
end do; end do; end do end do; end do; end do
call VecMin(solution_vec,devNull,T_min,err_PETSc) call DMDAVecRestoreArrayF90(DM_thermal,T_PETSc,T,err_PETSc)
CHKERRQ(err_PETSc)
call VecMax(solution_vec,devNull,T_max,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
if (solution%converged) & if (solution%converged) &
print'(/,1x,a)', '... thermal conduction converged ..................................' print'(/,1x,a)', '... thermal conduction converged ..................................'
print'(/,1x,a,f8.4,2x,f8.4,2x,f8.4)', 'Minimum|Maximum|Delta Temperature / K = ', T_min, T_max, stagNorm print'(/,1x,a,f8.4,2x,f8.4,2x,f8.4)', 'Minimum|Maximum|Delta Temperature / K = ', T_min, T_max, stagNorm
@ -243,42 +245,40 @@ end function grid_thermal_spectral_solution
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief forwarding routine !> @brief Set DAMASK data to current solver status.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine grid_thermal_spectral_forward(cutBack) subroutine grid_thermal_spectral_forward(cutBack)
logical, intent(in) :: cutBack logical, intent(in) :: cutBack
integer :: i, j, k, ce integer :: i, j, k, ce
DM :: dm_local DM :: DM_thermal
real(pREAL), dimension(:,:,:), pointer :: T_PETSc real(pREAL), dimension(:,:,:), pointer :: T ! 0-indexed
PetscErrorCode :: err_PETSc PetscErrorCode :: err_PETSc
if (cutBack) then call SNESGetDM(SNES_thermal,DM_thermal,err_PETSc)
T = T_lastInc CHKERRQ(err_PETSc)
T_stagInc = T_lastInc call DMDAVecGetArrayF90(DM_thermal,T_PETSc,T,err_PETSc) ! returns 0-indexed T
CHKERRQ(err_PETSc)
!-------------------------------------------------------------------------------------------------- if (cutBack) then
! reverting thermal field state
call SNESGetDM(SNES_thermal,dm_local,err_PETSc)
CHKERRQ(err_PETSc)
call DMDAVecGetArrayF90(dm_local,solution_vec,T_PETSc,err_PETSc) !< get the data out of PETSc to work with
CHKERRQ(err_PETSc)
T_PETSc = T
call DMDAVecRestoreArrayF90(dm_local,solution_vec,T_PETSc,err_PETSc)
CHKERRQ(err_PETSc)
ce = 0 ce = 0
do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1) do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1)
ce = ce + 1 ce = ce + 1
call homogenization_thermal_setField(T(i,j,k),dotT_lastInc(i,j,k),ce) call homogenization_thermal_setField(T_lastInc(i,j,k),dotT_lastInc(i,j,k),ce)
end do; end do; end do end do; end do; end do
T = T_lastInc
T_stagInc = T_lastInc
else else
dotT_lastInc = (T - T_lastInc)/params%Delta_t dotT_lastInc = (T - T_lastInc)/params%Delta_t
T_lastInc = T T_lastInc = T
call updateReference() call updateReference()
end if end if
call DMDAVecRestoreArrayF90(DM_thermal,T_PETSc,T,err_PETSc)
CHKERRQ(err_PETSc)
end subroutine grid_thermal_spectral_forward end subroutine grid_thermal_spectral_forward
@ -288,13 +288,13 @@ end subroutine grid_thermal_spectral_forward
subroutine grid_thermal_spectral_restartWrite() subroutine grid_thermal_spectral_restartWrite()
PetscErrorCode :: err_PETSc PetscErrorCode :: err_PETSc
DM :: dm_local DM :: DM_thermal
integer(HID_T) :: fileHandle, groupHandle integer(HID_T) :: fileHandle, groupHandle
real(pREAL), dimension(:,:,:), pointer :: T real(pREAL), dimension(:,:,:), pointer :: T ! 0-indexed
call SNESGetDM(SNES_thermal,dm_local,err_PETSc); call SNESGetDM(SNES_thermal,DM_thermal,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMDAVecGetArrayReadF90(dm_local,solution_vec,T,err_PETSc); call DMDAVecGetArrayReadF90(DM_thermal,T_PETSc,T,err_PETSc) ! returns 0-indexed T
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
print'(1x,a)', 'saving thermal solver data required for restart'; flush(IO_STDOUT) print'(1x,a)', 'saving thermal solver data required for restart'; flush(IO_STDOUT)
@ -307,7 +307,7 @@ subroutine grid_thermal_spectral_restartWrite()
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
call HDF5_closeFile(fileHandle) call HDF5_closeFile(fileHandle)
call DMDAVecRestoreArrayReadF90(dm_local,solution_vec,T,err_PETSc); call DMDAVecRestoreArrayReadF90(DM_thermal,T_PETSc,T,err_PETSc);
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
end subroutine grid_thermal_spectral_restartWrite end subroutine grid_thermal_spectral_restartWrite
@ -324,7 +324,7 @@ subroutine formResidual(residual_subdomain,x_scal,r,dummy,err_PETSc)
real(pREAL), dimension(cells(1),cells(2),cells3), intent(in) :: & real(pREAL), dimension(cells(1),cells(2),cells3), intent(in) :: &
x_scal x_scal
real(pREAL), dimension(cells(1),cells(2),cells3), intent(out) :: & real(pREAL), dimension(cells(1),cells(2),cells3), intent(out) :: &
r !< residual r !< residual
PetscObject :: dummy PetscObject :: dummy
PetscErrorCode, intent(out) :: err_PETSc PetscErrorCode, intent(out) :: err_PETSc
@ -332,25 +332,26 @@ subroutine formResidual(residual_subdomain,x_scal,r,dummy,err_PETSc)
real(pREAL), dimension(3,cells(1),cells(2),cells3) :: vectorField real(pREAL), dimension(3,cells(1),cells(2),cells3) :: vectorField
T = x_scal associate(T => x_scal)
vectorField = utilities_ScalarGradient(T) vectorField = utilities_ScalarGradient(T)
ce = 0 ce = 0
do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1) do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1)
ce = ce + 1 ce = ce + 1
vectorField(1:3,i,j,k) = matmul(homogenization_K_T(ce) - K_ref, vectorField(1:3,i,j,k)) vectorField(1:3,i,j,k) = matmul(homogenization_K_T(ce) - K_ref, vectorField(1:3,i,j,k))
end do; end do; end do end do; end do; end do
r = utilities_VectorDivergence(vectorField) r = utilities_VectorDivergence(vectorField)
ce = 0 ce = 0
do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1) do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1)
ce = ce + 1 ce = ce + 1
r(i,j,k) = params%Delta_t*(r(i,j,k) + homogenization_f_T(ce)) & r(i,j,k) = params%Delta_t*(r(i,j,k) + homogenization_f_T(ce)) &
+ homogenization_mu_T(ce) * (T_lastInc(i,j,k) - T(i,j,k)) & + homogenization_mu_T(ce) * (T_lastInc(i,j,k) - T(i,j,k)) &
+ mu_ref*T(i,j,k) + mu_ref*T(i,j,k)
end do; end do; end do end do; end do; end do
r = T & r = T &
- utilities_GreenConvolution(r, K_ref, mu_ref, params%Delta_t) - utilities_GreenConvolution(r, K_ref, mu_ref, params%Delta_t)
err_PETSc = 0 err_PETSc = 0
end associate
end subroutine formResidual end subroutine formResidual