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Merge branch 'solver-simplification' into 'development' 

simplified thermal and damage solvers

See merge request damask/DAMASK!778
This commit is contained in:
Philip Eisenlohr 2023-07-18 16:05:43 +00:00
parent a5a533d2dc ddeb218728
commit 341119d706
9 changed files with 318 additions and 326 deletions
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29
src/HDF5_utilities.f90
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@ -1836,15 +1836,13 @@ subroutine initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_
integer(HID_T), intent(in) :: loc_id !< file or group handle integer(HID_T), intent(in) :: loc_id !< file or group handle
character(len=*), intent(in) :: datasetName !< name of the dataset in the file character(len=*), intent(in) :: datasetName !< name of the dataset in the file
logical, intent(in) :: parallel logical, intent(in) :: parallel
integer(HSIZE_T), intent(in), dimension(:) :: & integer(HSIZE_T), intent(in), dimension(:) :: localShape
localShape integer(HSIZE_T), intent(out), dimension(size(localShape)) :: &
integer(HSIZE_T), intent(out), dimension(size(localShape,1)):: &
myStart, & myStart, &
globalShape !< shape of the dataset (all processes) globalShape !< shape of the dataset (all processes)
integer(HID_T), intent(out) :: dset_id, filespace_id, memspace_id, plist_id, aplist_id integer(HID_T), intent(out) :: dset_id, filespace_id, memspace_id, plist_id, aplist_id
integer(MPI_INTEGER_KIND), dimension(worldsize) :: & integer(MPI_INTEGER_KIND), dimension(worldsize) :: readSize !< contribution of all processes
readSize !< contribution of all processes
integer :: hdferr integer :: hdferr
integer(MPI_INTEGER_KIND) :: err_MPI integer(MPI_INTEGER_KIND) :: err_MPI
@ -1860,7 +1858,8 @@ subroutine initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_
if (parallel) then if (parallel) then
call H5Pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr) call H5Pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr)
call HDF5_chkerr(hdferr) call HDF5_chkerr(hdferr)
call MPI_Allreduce(MPI_IN_PLACE,readSize,worldsize,MPI_INTEGER,MPI_SUM,MPI_COMM_WORLD,err_MPI) ! get total output size over each process call MPI_Allgather(int(localShape(ubound(localShape,1)),MPI_INTEGER_KIND),1_MPI_INTEGER_KIND,MPI_INTEGER,&
readSize,1_MPI_INTEGER_KIND,MPI_INTEGER,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'
end if end if
#endif #endif
@ -1930,15 +1929,14 @@ end subroutine finalize_read
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine initialize_write(dset_id, filespace_id, memspace_id, plist_id, & subroutine initialize_write(dset_id, filespace_id, memspace_id, plist_id, &
myStart, totalShape, & myStart, totalShape, &
loc_id,myShape,datasetName,datatype,parallel) loc_id,localShape,datasetName,datatype,parallel)
integer(HID_T), intent(in) :: loc_id !< file or group handle integer(HID_T), intent(in) :: loc_id !< file or group handle
character(len=*), intent(in) :: datasetName !< name of the dataset in the file character(len=*), intent(in) :: datasetName !< name of the dataset in the file
logical, intent(in) :: parallel logical, intent(in) :: parallel
integer(HID_T), intent(in) :: datatype integer(HID_T), intent(in) :: datatype
integer(HSIZE_T), intent(in), dimension(:) :: & integer(HSIZE_T), intent(in), dimension(:) :: localShape
myShape integer(HSIZE_T), intent(out), dimension(size(localShape)) :: &
integer(HSIZE_T), intent(out), dimension(size(myShape,1)):: &
myStart, & myStart, &
totalShape !< shape of the dataset (all processes) totalShape !< shape of the dataset (all processes)
integer(HID_T), intent(out) :: dset_id, filespace_id, memspace_id, plist_id integer(HID_T), intent(out) :: dset_id, filespace_id, memspace_id, plist_id
@ -1964,16 +1962,17 @@ subroutine initialize_write(dset_id, filespace_id, memspace_id, plist_id, &
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! determine the global data layout among all processes ! determine the global data layout among all processes
writeSize = 0_MPI_INTEGER_KIND writeSize = 0_MPI_INTEGER_KIND
writeSize(worldrank+1) = int(myShape(ubound(myShape,1)),MPI_INTEGER_KIND) writeSize(worldrank+1) = int(localShape(ubound(localShape,1)),MPI_INTEGER_KIND)
#ifdef PETSC #ifdef PETSC
if (parallel) then if (parallel) then
call MPI_Allreduce(MPI_IN_PLACE,writeSize,worldsize,MPI_INTEGER,MPI_SUM,MPI_COMM_WORLD,err_MPI) ! get total output size over each process call MPI_Allgather(int(localShape(ubound(localShape,1)),MPI_INTEGER_KIND),1_MPI_INTEGER_KIND,MPI_INTEGER,&
writeSize,1_MPI_INTEGER_KIND,MPI_INTEGER,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'
end if end if
#endif #endif
myStart = int(0,HSIZE_T) myStart = int(0,HSIZE_T)
myStart(ubound(myStart)) = int(sum(writeSize(1:worldrank)),HSIZE_T) myStart(ubound(myStart)) = int(sum(writeSize(1:worldrank)),HSIZE_T)
totalShape = [myShape(1:ubound(myShape,1)-1),int(sum(writeSize),HSIZE_T)] totalShape = [localShape(1:ubound(localShape,1)-1),int(sum(writeSize),HSIZE_T)]
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! chunk dataset, enable compression for larger datasets ! chunk dataset, enable compression for larger datasets
@ -2001,7 +2000,7 @@ subroutine initialize_write(dset_id, filespace_id, memspace_id, plist_id, &
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! create dataspace in memory (local shape) and in file (global shape) ! create dataspace in memory (local shape) and in file (global shape)
call H5Screate_simple_f(size(myShape), myShape, memspace_id, hdferr, myShape) call H5Screate_simple_f(size(localShape), localShape, memspace_id, hdferr, localShape)
call HDF5_chkerr(hdferr) call HDF5_chkerr(hdferr)
call H5Screate_simple_f(size(totalShape), totalShape, filespace_id, hdferr, totalShape) call H5Screate_simple_f(size(totalShape), totalShape, filespace_id, hdferr, totalShape)
call HDF5_chkerr(hdferr) call HDF5_chkerr(hdferr)
@ -2010,7 +2009,7 @@ subroutine initialize_write(dset_id, filespace_id, memspace_id, plist_id, &
! create dataset in the file and select a hyperslab from it (the portion of the current process) ! create dataset in the file and select a hyperslab from it (the portion of the current process)
call H5Dcreate_f(loc_id, trim(datasetName), datatype, filespace_id, dset_id, hdferr, dcpl) call H5Dcreate_f(loc_id, trim(datasetName), datatype, filespace_id, dset_id, hdferr, dcpl)
call HDF5_chkerr(hdferr) call HDF5_chkerr(hdferr)
call H5Sselect_hyperslab_f(filespace_id, H5S_SELECT_SET_F, myStart, myShape, hdferr) call H5Sselect_hyperslab_f(filespace_id, H5S_SELECT_SET_F, myStart, localShape, hdferr)
call HDF5_chkerr(hdferr) call HDF5_chkerr(hdferr)
call H5Pclose_f(dcpl , hdferr) call H5Pclose_f(dcpl , hdferr)

2
src/grid/DAMASK_grid.f90
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@ -372,7 +372,7 @@ program DAMASK_grid
end if end if
Delta_t = Delta_t * 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 <= CLI_restartInc) then ! not yet at restart inc? skipping: if (totalIncsCounter <= CLI_restartInc) then ! not yet at restart inc?
t = t + Delta_t ! just advance time, skip already performed calculation t = t + Delta_t ! just advance time, skip already performed calculation
guess = .true. ! QUESTION:why forced guessing instead of inheriting loadcase preference guess = .true. ! QUESTION:why forced guessing instead of inheriting loadcase preference
else skipping else skipping

12
src/grid/discretization_grid.f90
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@ -68,7 +68,7 @@ subroutine discretization_grid_init(restart)
j j
integer(MPI_INTEGER_KIND) :: err_MPI integer(MPI_INTEGER_KIND) :: err_MPI
integer(C_INTPTR_T) :: & integer(C_INTPTR_T) :: &
devNull, z, z_offset devNull, cells3_, cells3Offset_
integer, dimension(worldsize) :: & integer, dimension(worldsize) :: &
displs, sendcounts displs, sendcounts
character(len=:), allocatable :: & character(len=:), allocatable :: &
@ -113,12 +113,12 @@ subroutine discretization_grid_init(restart)
call fftw_mpi_init() call fftw_mpi_init()
devNull = fftw_mpi_local_size_3d(int(cells(3),C_INTPTR_T),int(cells(2),C_INTPTR_T),int(cells(1)/2+1,C_INTPTR_T), & devNull = fftw_mpi_local_size_3d(int(cells(3),C_INTPTR_T),int(cells(2),C_INTPTR_T),int(cells(1)/2+1,C_INTPTR_T), &
PETSC_COMM_WORLD, & PETSC_COMM_WORLD, &
z, & ! domain cells size along z cells3_, & ! domain cells size along z
z_offset) ! domain cells offset along z cells3Offset_) ! domain cells offset along z
if (z==0_C_INTPTR_T) call IO_error(894, ext_msg='Cannot distribute MPI processes') if (cells3_==0_C_INTPTR_T) call IO_error(894, ext_msg='Cannot distribute MPI processes')
cells3 = int(z) cells3 = int(cells3_)
cells3Offset = int(z_offset) cells3Offset = int(cells3Offset_)
size3 = geomSize(3)*real(cells3,pREAL) /real(cells(3),pREAL) size3 = geomSize(3)*real(cells3,pREAL) /real(cells(3),pREAL)
size3Offset = geomSize(3)*real(cells3Offset,pREAL)/real(cells(3),pREAL) size3Offset = geomSize(3)*real(cells3Offset,pREAL)/real(cells(3),pREAL)
myGrid = [cells(1:2),cells3] myGrid = [cells(1:2),cells3]

169
src/grid/grid_damage_spectral.f90
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@ -48,9 +48,8 @@ module grid_damage_spectral
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! PETSc data ! PETSc data
SNES :: SNES_damage SNES :: SNES_damage
Vec :: solution_vec Vec :: phi_PETSc
real(pREAL), dimension(:,:,:), allocatable :: & real(pREAL), dimension(:,:,:), allocatable :: &
phi, & !< field of current damage
phi_lastInc, & !< field of previous damage phi_lastInc, & !< field of previous damage
phi_stagInc !< field of staggered damage phi_stagInc !< field of staggered damage
@ -75,10 +74,10 @@ subroutine grid_damage_spectral_init(num_grid)
type(tDict), pointer, intent(in) :: num_grid type(tDict), pointer, intent(in) :: num_grid
PetscInt, dimension(0:worldsize-1) :: localK integer(MPI_INTEGER_KIND), dimension(0:worldsize-1) :: cells3_global
integer :: i, j, k, ce integer :: i, j, k, ce
DM :: damage_grid DM :: DM_damage
real(pREAL), dimension(:,:,:), pointer :: phi_PETSc real(pREAL), dimension(:,:,:), pointer :: phi ! 0-indexed
Vec :: uBound, lBound Vec :: uBound, lBound
integer(MPI_INTEGER_KIND) :: err_MPI integer(MPI_INTEGER_KIND) :: err_MPI
PetscErrorCode :: err_PETSc PetscErrorCode :: err_PETSc
@ -93,6 +92,7 @@ subroutine grid_damage_spectral_init(num_grid)
petsc_options petsc_options
print'(/,1x,a)', '<<<+- grid_spectral_damage init -+>>>' print'(/,1x,a)', '<<<+- grid_spectral_damage init -+>>>'
print'(/,1x,a)', 'P. Shanthraj et al., Handbook of Mechanics of Materials, 2019' print'(/,1x,a)', 'P. Shanthraj et al., Handbook of Mechanics of Materials, 2019'
@ -124,40 +124,33 @@ subroutine grid_damage_spectral_init(num_grid)
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,petsc_options,err_PETSc) call PetscOptionsInsertString(PETSC_NULL_OPTIONS,petsc_options,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
!--------------------------------------------------------------------------------------------------
! init fields
phi = discretization_grid_getInitialCondition('phi')
phi_lastInc = phi
phi_stagInc = phi
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! initialize solver specific parts of PETSc ! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,SNES_damage,err_PETSc) call SNESCreate(PETSC_COMM_WORLD,SNES_damage,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESSetOptionsPrefix(SNES_damage,'damage_',err_PETSc) call SNESSetOptionsPrefix(SNES_damage,'damage_',err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
localK = 0_pPetscInt call MPI_Allgather(int(cells3,MPI_INTEGER_KIND),1_MPI_INTEGER_KIND,MPI_INTEGER,&
localK(worldrank) = int(cells3,pPetscInt) cells3_global,1_MPI_INTEGER_KIND,MPI_INTEGER,MPI_COMM_WORLD,err_MPI)
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,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'
call DMDACreate3D(PETSC_COMM_WORLD, & call DMDACreate3D(PETSC_COMM_WORLD, &
DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary
DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point
int(cells(1),pPetscInt),int(cells(2),pPetscInt),int(cells(3),pPetscInt), & ! global cells int(cells(1),pPETSCINT),int(cells(2),pPETSCINT),int(cells(3),pPETSCINT), & ! global cells
1_pPetscInt, 1_pPetscInt, int(worldsize,pPetscInt), & 1_pPETSCINT, 1_pPETSCINT, int(worldsize,pPETSCINT), &
1_pPetscInt, 0_pPetscInt, & ! #dof (phi, scalar), ghost boundary width (domain overlap) 1_pPETSCINT, 0_pPETSCINT, & ! #dof (phi, 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)],int(cells3_global,pPETSCINT), & ! local cells
damage_grid,err_PETSc) ! handle, error DM_damage,err_PETSc) ! handle, error
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMsetFromOptions(damage_grid,err_PETSc) call DMsetFromOptions(DM_damage,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMsetUp(damage_grid,err_PETSc) call DMsetUp(DM_damage,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMCreateGlobalVector(damage_grid,solution_vec,err_PETSc) ! global solution vector (cells x 1, i.e. every def grad tensor) call DMCreateGlobalVector(DM_damage,phi_PETSc,err_PETSc) ! global solution vector (cells x 1, i.e. every def grad tensor)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMDASNESSetFunctionLocal(damage_grid,INSERT_VALUES,formResidual,PETSC_NULL_SNES,err_PETSc) ! residual vector of same shape as solution vector call DMDASNESSetFunctionLocal(DM_damage,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_damage,damage_grid,err_PETSc) call SNESSetDM(SNES_damage,DM_damage,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESSetFromOptions(SNES_damage,err_PETSc) ! pull it all together with additional CLI arguments call SNESSetFromOptions(SNES_damage,err_PETSc) ! pull it all together with additional CLI arguments
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
@ -165,9 +158,9 @@ subroutine grid_damage_spectral_init(num_grid)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
if (trim(snes_type) == 'vinewtonrsls' .or. & if (trim(snes_type) == 'vinewtonrsls' .or. &
trim(snes_type) == 'vinewtonssls') then trim(snes_type) == 'vinewtonssls') then
call DMGetGlobalVector(damage_grid,lBound,err_PETSc) call DMGetGlobalVector(DM_damage,lBound,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMGetGlobalVector(damage_grid,uBound,err_PETSc) call DMGetGlobalVector(DM_damage,uBound,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call VecSet(lBound,0.0_pREAL,err_PETSc) call VecSet(lBound,0.0_pREAL,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
@ -175,12 +168,15 @@ subroutine grid_damage_spectral_init(num_grid)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESVISetVariableBounds(SNES_damage,lBound,uBound,err_PETSc) ! variable bounds for variational inequalities call SNESVISetVariableBounds(SNES_damage,lBound,uBound,err_PETSc) ! variable bounds for variational inequalities
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMRestoreGlobalVector(damage_grid,lBound,err_PETSc) call DMRestoreGlobalVector(DM_damage,lBound,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMRestoreGlobalVector(damage_grid,uBound,err_PETSc) call DMRestoreGlobalVector(DM_damage,uBound,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
end if end if
call DMDAVecGetArrayF90(DM_damage,phi_PETSc,phi,err_PETSc) ! returns 0-indexed phi
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
@ -191,18 +187,20 @@ subroutine grid_damage_spectral_init(num_grid)
phi = reshape(tempN,[cells(1),cells(2),cells3]) phi = reshape(tempN,[cells(1),cells(2),cells3])
call HDF5_read(tempN,groupHandle,'phi_lastInc',.false.) call HDF5_read(tempN,groupHandle,'phi_lastInc',.false.)
phi_lastInc = reshape(tempN,[cells(1),cells(2),cells3]) phi_lastInc = reshape(tempN,[cells(1),cells(2),cells3])
phi_stagInc = phi_lastInc
else
phi = discretization_grid_getInitialCondition('phi')
phi_lastInc = phi(0:,0:,0:)
phi_stagInc = phi_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_set_phi(phi(i,j,k),ce) call homogenization_set_phi(phi(i,j,k),ce)
end do; end do; end do end do; end do; end do
call DMDAVecGetArrayF90(damage_grid,solution_vec,phi_PETSc,err_PETSc) call DMDAVecRestoreArrayF90(DM_damage,phi_PETSc,phi,err_PETSc)
CHKERRQ(err_PETSc)
phi_PETSc = phi
call DMDAVecRestoreArrayF90(damage_grid,solution_vec,phi_PETSc,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call updateReference() call updateReference()
@ -217,37 +215,43 @@ function grid_damage_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 :: phi_min, phi_max, stagNorm PetscReal :: phi_min, phi_max, stagNorm
DM :: DM_damage
real(pREAL), dimension(:,:,:), pointer :: phi ! 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_damage,PETSC_NULL_VEC,solution_vec,err_PETSc) call SNESSolve(SNES_damage,PETSC_NULL_VEC,phi_PETSc,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESGetConvergedReason(SNES_damage,reason,err_PETSc) call SNESGetConvergedReason(SNES_damage,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_damage,DM_damage,err_PETSc)
solution%converged = .true. CHKERRQ(err_PETSc)
solution%iterationsNeeded = totalIter call DMDAVecGetArrayF90(DM_damage,phi_PETSc,phi,err_PETSc) ! returns 0-indexed phi
end if CHKERRQ(err_PETSc)
phi_min = minval(phi)
phi_max = maxval(phi)
stagNorm = maxval(abs(phi - phi_stagInc)) stagNorm = maxval(abs(phi - phi_stagInc))
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_damage_atol, num%eps_damage_rtol*maxval(phi)) solution%stagConverged = stagNorm < max(num%eps_damage_atol, num%eps_damage_rtol*phi_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'
phi_stagInc = phi phi_stagInc = phi
@ -255,15 +259,14 @@ function grid_damage_spectral_solution(Delta_t) result(solution)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! updating damage state ! updating damage 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_set_phi(phi(i,j,k),ce) call homogenization_set_phi(phi(i,j,k),ce)
end do; end do; end do end do; end do; end do
call VecMin(solution_vec,devNull,phi_min,err_PETSc) call DMDAVecRestoreArrayF90(DM_damage,phi_PETSc,phi,err_PETSc)
CHKERRQ(err_PETSc)
call VecMax(solution_vec,devNull,phi_max,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
if (solution%converged) & if (solution%converged) &
print'(/,1x,a)', '... nonlocal damage converged .....................................' print'(/,1x,a)', '... nonlocal damage converged .....................................'
print'(/,1x,a,f8.6,2x,f8.6,2x,e11.4)', 'Minimum|Maximum|Delta Damage = ', phi_min, phi_max, stagNorm print'(/,1x,a,f8.6,2x,f8.6,2x,e11.4)', 'Minimum|Maximum|Delta Damage = ', phi_min, phi_max, stagNorm
@ -274,35 +277,31 @@ end function grid_damage_spectral_solution
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief spectral damage forwarding routine !> @brief Set DAMASK data to current solver status.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine grid_damage_spectral_forward(cutBack) subroutine grid_damage_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_damage
real(pREAL), dimension(:,:,:), pointer :: phi_PETSc real(pREAL), dimension(:,:,:), pointer :: phi ! 0-indexed
PetscErrorCode :: err_PETSc PetscErrorCode :: err_PETSc
call SNESGetDM(SNES_damage,DM_damage,err_PETSc)
CHKERRQ(err_PETSc)
call DMDAVecGetArrayF90(DM_damage,phi_PETSc,phi,err_PETSc) ! returns 0-indexed T
CHKERRQ(err_PETSc)
if (cutBack) then if (cutBack) then
phi = phi_lastInc
phi_stagInc = phi_lastInc
!--------------------------------------------------------------------------------------------------
! reverting damage field state
call SNESGetDM(SNES_damage,dm_local,err_PETSc)
CHKERRQ(err_PETSc)
call DMDAVecGetArrayF90(dm_local,solution_vec,phi_PETSc,err_PETSc) !< get the data out of PETSc to work with
CHKERRQ(err_PETSc)
phi_PETSc = phi
call DMDAVecRestoreArrayF90(dm_local,solution_vec,phi_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_set_phi(phi(i,j,k),ce) call homogenization_set_phi(phi_lastInc(i,j,k),ce)
end do; end do; end do end do; end do; end do
phi = phi_lastInc
phi_stagInc = phi_lastInc
else else
phi_lastInc = phi phi_lastInc = phi
call updateReference() call updateReference()
@ -317,13 +316,14 @@ end subroutine grid_damage_spectral_forward
subroutine grid_damage_spectral_restartWrite() subroutine grid_damage_spectral_restartWrite()
PetscErrorCode :: err_PETSc PetscErrorCode :: err_PETSc
DM :: dm_local DM :: DM_damage
integer(HID_T) :: fileHandle, groupHandle integer(HID_T) :: fileHandle, groupHandle
PetscScalar, dimension(:,:,:), pointer :: phi real(pREAL), dimension(:,:,:), pointer :: phi ! 0-indexed
call SNESGetDM(SNES_damage,dm_local,err_PETSc);
call SNESGetDM(SNES_damage,DM_damage,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMDAVecGetArrayReadF90(dm_local,solution_vec,phi,err_PETSc); call DMDAVecGetArrayReadF90(DM_damage,phi_PETSc,phi,err_PETSc) ! returns 0-indexed T
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
print'(1x,a)', 'saving damage solver data required for restart'; flush(IO_STDOUT) print'(1x,a)', 'saving damage solver data required for restart'; flush(IO_STDOUT)
@ -335,7 +335,7 @@ subroutine grid_damage_spectral_restartWrite()
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
call HDF5_closeFile(fileHandle) call HDF5_closeFile(fileHandle)
call DMDAVecRestoreArrayReadF90(dm_local,solution_vec,phi,err_PETSc); call DMDAVecRestoreArrayReadF90(DM_damage,phi_PETSc,phi,err_PETSc);
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
end subroutine grid_damage_spectral_restartWrite end subroutine grid_damage_spectral_restartWrite
@ -359,24 +359,25 @@ 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
phi = x_scal associate(phi => x_scal)
vectorField = utilities_ScalarGradient(phi) vectorField = utilities_ScalarGradient(phi)
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_phi(ce) - K_ref, vectorField(1:3,i,j,k)) vectorField(1:3,i,j,k) = matmul(homogenization_K_phi(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_phi(phi(i,j,k),ce)) & r(i,j,k) = params%Delta_t*(r(i,j,k) + homogenization_f_phi(phi(i,j,k),ce)) &
+ homogenization_mu_phi(ce)*(phi_lastInc(i,j,k) - phi(i,j,k)) & + homogenization_mu_phi(ce)*(phi_lastInc(i,j,k) - phi(i,j,k)) &
+ mu_ref*phi(i,j,k) + mu_ref*phi(i,j,k)
end do; end do; end do end do; end do; end do
r = max(min(utilities_GreenConvolution(r, K_ref, mu_ref, params%Delta_t),phi_lastInc),num%phi_min) & r = max(min(utilities_GreenConvolution(r, K_ref, mu_ref, params%Delta_t),phi_lastInc),num%phi_min) &
- phi - phi
end associate
err_PETSc = 0 err_PETSc = 0
end subroutine formResidual end subroutine formResidual

91
src/grid/grid_mech_FEM.f90
View File

@ -53,9 +53,9 @@ module grid_mechanical_FEM
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! PETSc data ! PETSc data
DM :: mechanical_grid DM :: DM_mech
SNES :: SNES_mechanical SNES :: SNES_mech
Vec :: solution_current, solution_lastInc, solution_rate Vec :: u_PETSc, u_lastInc_PETSc, uDot_PETSc
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! common pointwise data ! common pointwise data
@ -118,7 +118,7 @@ subroutine grid_mechanical_FEM_init(num_grid)
integer(MPI_INTEGER_KIND) :: err_MPI integer(MPI_INTEGER_KIND) :: err_MPI
PetscScalar, pointer, dimension(:,:,:,:) :: & PetscScalar, pointer, dimension(:,:,:,:) :: &
u,u_lastInc u,u_lastInc
PetscInt, dimension(0:worldsize-1) :: localK integer(MPI_INTEGER_KIND), dimension(0:worldsize-1) :: cells3_global
integer(HID_T) :: fileHandle, groupHandle integer(HID_T) :: fileHandle, groupHandle
type(tDict), pointer :: & type(tDict), pointer :: &
num_grid_mech num_grid_mech
@ -166,59 +166,58 @@ subroutine grid_mechanical_FEM_init(num_grid)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! initialize solver specific parts of PETSc ! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,SNES_mechanical,err_PETSc) call SNESCreate(PETSC_COMM_WORLD,SNES_mech,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESSetOptionsPrefix(SNES_mechanical,'mechanical_',err_PETSc) call SNESSetOptionsPrefix(SNES_mech,'mechanical_',err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
localK = 0_pPetscInt call MPI_Allgather(int(cells3,MPI_INTEGER_KIND),1_MPI_INTEGER_KIND,MPI_INTEGER,&
localK(worldrank) = int(cells3,pPetscInt) cells3_global,1_MPI_INTEGER_KIND,MPI_INTEGER,MPI_COMM_WORLD,err_MPI)
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,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'
call DMDACreate3d(PETSC_COMM_WORLD, & call DMDACreate3d(PETSC_COMM_WORLD, &
DM_BOUNDARY_PERIODIC, DM_BOUNDARY_PERIODIC, DM_BOUNDARY_PERIODIC, & DM_BOUNDARY_PERIODIC, DM_BOUNDARY_PERIODIC, DM_BOUNDARY_PERIODIC, &
DMDA_STENCIL_BOX, & DMDA_STENCIL_BOX, &
int(cells(1),pPetscInt),int(cells(2),pPetscInt),int(cells(3),pPetscInt), & ! global cells int(cells(1),pPETSCINT),int(cells(2),pPETSCINT),int(cells(3),pPETSCINT), & ! global cells
1_pPetscInt, 1_pPetscInt, int(worldsize,pPetscInt), & 1_pPETSCINT, 1_pPETSCINT, int(worldsize,pPETSCINT), &
3_pPetscInt, 1_pPetscInt, & ! #dof (u, vector), ghost boundary width (domain overlap) 3_pPETSCINT, 1_pPETSCINT, & ! #dof (u, vector), ghost boundary width (domain overlap)
[int(cells(1),pPetscInt)],[int(cells(2),pPetscInt)],localK, & ! local cells [int(cells(1),pPETSCINT)],[int(cells(2),pPETSCINT)],int(cells3_global,pPETSCINT), & ! local cells
mechanical_grid,err_PETSc) DM_mech,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMsetFromOptions(mechanical_grid,err_PETSc) call DMsetFromOptions(DM_mech,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMsetUp(mechanical_grid,err_PETSc) call DMsetUp(DM_mech,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMDASetUniformCoordinates(mechanical_grid,0.0_pREAL,geomSize(1),0.0_pREAL,geomSize(2),0.0_pREAL,geomSize(3),err_PETSc) call DMDASetUniformCoordinates(DM_mech,0.0_pREAL,geomSize(1),0.0_pREAL,geomSize(2),0.0_pREAL,geomSize(3),err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMCreateGlobalVector(mechanical_grid,solution_current,err_PETSc) call DMCreateGlobalVector(DM_mech,u_PETSc,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMCreateGlobalVector(mechanical_grid,solution_lastInc,err_PETSc) call DMCreateGlobalVector(DM_mech,u_lastInc_PETSc,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMCreateGlobalVector(mechanical_grid,solution_rate ,err_PETSc) call DMCreateGlobalVector(DM_mech,uDot_PETSc,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMSNESSetFunctionLocal(mechanical_grid,formResidual,PETSC_NULL_SNES,err_PETSc) call DMSNESSetFunctionLocal(DM_mech,formResidual,PETSC_NULL_SNES,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMSNESSetJacobianLocal(mechanical_grid,formJacobian,PETSC_NULL_SNES,err_PETSc) call DMSNESSetJacobianLocal(DM_mech,formJacobian,PETSC_NULL_SNES,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESSetConvergenceTest(SNES_mechanical,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,err_PETSc) ! specify custom convergence check function "_converged" call SNESSetConvergenceTest(SNES_mech,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,err_PETSc) ! specify custom convergence check function "_converged"
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESSetMaxLinearSolveFailures(SNES_mechanical, huge(1_pPetscInt), err_PETSc) ! ignore linear solve failures call SNESSetMaxLinearSolveFailures(SNES_mech, huge(1_pPETSCINT), err_PETSc) ! ignore linear solve failures
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESSetDM(SNES_mechanical,mechanical_grid,err_PETSc) call SNESSetDM(SNES_mech,DM_mech,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESSetFromOptions(SNES_mechanical,err_PETSc) ! pull it all together with additional cli arguments call SNESSetFromOptions(SNES_mech,err_PETSc) ! pull it all together with additional cli arguments
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! init fields ! init fields
call VecSet(solution_current,0.0_pREAL,err_PETSc) call VecSet(u_PETSc,0.0_pREAL,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call VecSet(solution_lastInc,0.0_pREAL,err_PETSc) call VecSet(u_lastInc_PETSc,0.0_pREAL,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call VecSet(solution_rate ,0.0_pREAL,err_PETSc) call VecSet(uDot_PETSc ,0.0_pREAL,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMDAVecGetArrayF90(mechanical_grid,solution_current,u,err_PETSc) call DMDAVecGetArrayF90(DM_mech,u_PETSc,u,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMDAVecGetArrayF90(mechanical_grid,solution_lastInc,u_lastInc,err_PETSc) call DMDAVecGetArrayF90(DM_mech,u_lastInc_PETSc,u_lastInc,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
delta = geomSize/real(cells,pREAL) ! grid spacing delta = geomSize/real(cells,pREAL) ! grid spacing
@ -275,9 +274,9 @@ subroutine grid_mechanical_FEM_init(num_grid)
call utilities_constitutiveResponse(P_current,P_av,C_volAvg,devNull, & ! stress field, stress avg, global average of stiffness and (min+max)/2 call utilities_constitutiveResponse(P_current,P_av,C_volAvg,devNull, & ! stress field, stress avg, global average of stiffness and (min+max)/2
F, & ! target F F, & ! target F
0.0_pREAL) ! time increment 0.0_pREAL) ! time increment
call DMDAVecRestoreArrayF90(mechanical_grid,solution_current,u,err_PETSc) call DMDAVecRestoreArrayF90(DM_mech,u_PETSc,u,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMDAVecRestoreArrayF90(mechanical_grid,solution_lastInc,u_lastInc,err_PETSc) call DMDAVecRestoreArrayF90(DM_mech,u_lastInc_PETSc,u_lastInc,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
restartRead2: if (CLI_restartInc > 0) then restartRead2: if (CLI_restartInc > 0) then
@ -319,9 +318,9 @@ function grid_mechanical_FEM_solution(incInfoIn) result(solution)
! update stiffness (and gamma operator) ! update stiffness (and gamma operator)
S = utilities_maskedCompliance(params%rotation_BC,params%stress_mask,C_volAvg) S = utilities_maskedCompliance(params%rotation_BC,params%stress_mask,C_volAvg)
call SNESsolve(SNES_mechanical,PETSC_NULL_VEC,solution_current,err_PETSc) call SNESsolve(SNES_mech,PETSC_NULL_VEC,u_PETSc,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESGetConvergedReason(SNES_mechanical,reason,err_PETSc) call SNESGetConvergedReason(SNES_mech,reason,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
solution%converged = reason > 0 solution%converged = reason > 0
@ -378,15 +377,15 @@ subroutine grid_mechanical_FEM_forward(cutBack,guess,Delta_t,Delta_t_old,t_remai
end if end if
if (guess) then if (guess) then
call VecWAXPY(solution_rate,-1.0_pREAL,solution_lastInc,solution_current,err_PETSc) call VecWAXPY(uDot_PETSc,-1.0_pREAL,u_lastInc_PETSc,u_PETSc,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call VecScale(solution_rate,1.0_pREAL/Delta_t_old,err_PETSc) call VecScale(uDot_PETSc,1.0_pREAL/Delta_t_old,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
else else
call VecSet(solution_rate,0.0_pREAL,err_PETSc) call VecSet(uDot_PETSc,0.0_pREAL,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
end if end if
call VecCopy(solution_current,solution_lastInc,err_PETSc) call VecCopy(u_PETSc,u_lastInc_PETSc,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
F_lastInc = F F_lastInc = F
@ -402,7 +401,7 @@ subroutine grid_mechanical_FEM_forward(cutBack,guess,Delta_t,Delta_t_old,t_remai
if (stress_BC%myType=='dot_P') P_aim = P_aim & if (stress_BC%myType=='dot_P') P_aim = P_aim &
+ merge(.0_pREAL,stress_BC%values,stress_BC%mask)*Delta_t + merge(.0_pREAL,stress_BC%values,stress_BC%mask)*Delta_t
call VecAXPY(solution_current,Delta_t,solution_rate,err_PETSc) call VecAXPY(u_PETSc,Delta_t,uDot_PETSc,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -434,9 +433,9 @@ subroutine grid_mechanical_FEM_restartWrite()
PetscScalar, dimension(:,:,:,:), pointer :: u,u_lastInc PetscScalar, dimension(:,:,:,:), pointer :: u,u_lastInc
call DMDAVecGetArrayReadF90(mechanical_grid,solution_current,u,err_PETSc) call DMDAVecGetArrayReadF90(DM_mech,u_PETSc,u,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMDAVecGetArrayReadF90(mechanical_grid,solution_lastInc,u_lastInc,err_PETSc) call DMDAVecGetArrayReadF90(DM_mech,u_lastInc_PETSc,u_lastInc,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
print'(1x,a)', 'saving solver data required for restart'; flush(IO_STDOUT) print'(1x,a)', 'saving solver data required for restart'; flush(IO_STDOUT)
@ -463,9 +462,9 @@ subroutine grid_mechanical_FEM_restartWrite()
call HDF5_closeFile(fileHandle) call HDF5_closeFile(fileHandle)
end if end if
call DMDAVecRestoreArrayReadF90(mechanical_grid,solution_current,u,err_PETSc) call DMDAVecRestoreArrayReadF90(DM_mech,u_PETSc,u,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMDAVecRestoreArrayReadF90(mechanical_grid,solution_lastInc,u_lastInc,err_PETSc) call DMDAVecRestoreArrayReadF90(DM_mech,u_lastInc_PETSc,u_lastInc,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
end subroutine grid_mechanical_FEM_restartWrite end subroutine grid_mechanical_FEM_restartWrite
@ -535,9 +534,9 @@ subroutine formResidual(da_local,x_local, &
integer(MPI_INTEGER_KIND) :: err_MPI integer(MPI_INTEGER_KIND) :: err_MPI
real(pREAL), dimension(3,3,3,3) :: devNull real(pREAL), dimension(3,3,3,3) :: devNull
call SNESGetNumberFunctionEvals(SNES_mechanical,nfuncs,err_PETSc) call SNESGetNumberFunctionEvals(SNES_mech,nfuncs,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESGetIterationNumber(SNES_mechanical,PETScIter,err_PETSc) call SNESGetIterationNumber(SNES_mech,PETScIter,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)

65
src/grid/grid_mech_spectral_basic.f90
View File

@ -51,9 +51,9 @@ module grid_mechanical_spectral_basic
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! PETSc data ! PETSc data
DM :: da DM :: DM_mech
SNES :: SNES_mechanical SNES :: SNES_mech
Vec :: solution_vec Vec :: F_PETSc
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! common pointwise data ! common pointwise data
@ -112,7 +112,7 @@ subroutine grid_mechanical_spectral_basic_init(num_grid)
integer(MPI_INTEGER_KIND) :: err_MPI integer(MPI_INTEGER_KIND) :: err_MPI
real(pREAL), pointer, dimension(:,:,:,:) :: & real(pREAL), pointer, dimension(:,:,:,:) :: &
F ! pointer to solution data F ! pointer to solution data
PetscInt, dimension(0:worldsize-1) :: localK integer(MPI_INTEGER_KIND), dimension(0:worldsize-1) :: cells3_global
real(pREAL), dimension(3,3,product(cells(1:2))*cells3) :: temp33n real(pREAL), dimension(3,3,product(cells(1:2))*cells3) :: temp33n
integer(HID_T) :: fileHandle, groupHandle integer(HID_T) :: fileHandle, groupHandle
type(tDict), pointer :: & type(tDict), pointer :: &
@ -168,41 +168,40 @@ subroutine grid_mechanical_spectral_basic_init(num_grid)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! initialize solver specific parts of PETSc ! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,SNES_mechanical,err_PETSc) call SNESCreate(PETSC_COMM_WORLD,SNES_mech,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESSetOptionsPrefix(SNES_mechanical,'mechanical_',err_PETSc) call SNESSetOptionsPrefix(SNES_mech,'mechanical_',err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
localK = 0_pPetscInt call MPI_Allgather(int(cells3,MPI_INTEGER_KIND),1_MPI_INTEGER_KIND,MPI_INTEGER,&
localK(worldrank) = int(cells3,pPetscInt) cells3_global,1_MPI_INTEGER_KIND,MPI_INTEGER,MPI_COMM_WORLD,err_MPI)
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,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'
call DMDACreate3d(PETSC_COMM_WORLD, & call DMDACreate3d(PETSC_COMM_WORLD, &
DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary
DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point
int(cells(1),pPetscInt),int(cells(2),pPetscInt),int(cells(3),pPetscInt), & ! global cells int(cells(1),pPETSCINT),int(cells(2),pPETSCINT),int(cells(3),pPETSCINT), & ! global cells
1_pPetscInt, 1_pPetscInt, int(worldsize,pPetscInt), & 1_pPETSCINT, 1_pPETSCINT, int(worldsize,pPETSCINT), &
9_pPetscInt, 0_pPetscInt, & ! #dof (F, tensor), ghost boundary width (domain overlap) 9_pPETSCINT, 0_pPETSCINT, & ! #dof (F, tensor), ghost boundary width (domain overlap)
[int(cells(1),pPetscInt)],[int(cells(2),pPetscInt)],localK, & ! local cells [int(cells(1),pPETSCINT)],[int(cells(2),pPETSCINT)],int(cells3_global,pPETSCINT), & ! local cells
da,err_PETSc) ! handle, error DM_mech,err_PETSc) ! handle, error
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMsetFromOptions(da,err_PETSc) call DMsetFromOptions(DM_mech,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMsetUp(da,err_PETSc) call DMsetUp(DM_mech,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMcreateGlobalVector(da,solution_vec,err_PETSc) ! global solution vector (cells x 9, i.e. every def grad tensor) call DMcreateGlobalVector(DM_mech,F_PETSc,err_PETSc) ! global solution vector (cells x 9, i.e. every def grad tensor)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMDASNESsetFunctionLocal(da,INSERT_VALUES,formResidual,PETSC_NULL_SNES,err_PETSc) ! residual vector of same shape as solution vector call DMDASNESsetFunctionLocal(DM_mech,INSERT_VALUES,formResidual,PETSC_NULL_SNES,err_PETSc) ! residual vector of same shape as solution vector
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESsetConvergenceTest(SNES_mechanical,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,err_PETSc) ! specify custom convergence check function "converged" call SNESsetConvergenceTest(SNES_mech,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,err_PETSc) ! specify custom convergence check function "converged"
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESSetDM(SNES_mechanical,da,err_PETSc) call SNESSetDM(SNES_mech,DM_mech,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESsetFromOptions(SNES_mechanical,err_PETSc) ! pull it all together with additional CLI arguments call SNESsetFromOptions(SNES_mech,err_PETSc) ! pull it all together with additional CLI arguments
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! init fields ! init fields
call DMDAVecGetArrayF90(da,solution_vec,F,err_PETSc) ! places pointer on PETSc data call DMDAVecGetArrayF90(DM_mech,F_PETSc,F,err_PETSc) ! places pointer on PETSc data
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
restartRead: if (CLI_restartInc > 0) then restartRead: if (CLI_restartInc > 0) then
@ -238,7 +237,7 @@ subroutine grid_mechanical_spectral_basic_init(num_grid)
call utilities_constitutiveResponse(P,P_av,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2 call utilities_constitutiveResponse(P,P_av,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
reshape(F,shape(F_lastInc)), & ! target F reshape(F,shape(F_lastInc)), & ! target F
0.0_pREAL) ! time increment 0.0_pREAL) ! time increment
call DMDAVecRestoreArrayF90(da,solution_vec,F,err_PETSc) ! deassociate pointer call DMDAVecRestoreArrayF90(DM_mech,F_PETSc,F,err_PETSc) ! deassociate pointer
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
restartRead2: if (CLI_restartInc > 0) then restartRead2: if (CLI_restartInc > 0) then
@ -287,9 +286,9 @@ function grid_mechanical_spectral_basic_solution(incInfoIn) result(solution)
S = utilities_maskedCompliance(params%rotation_BC,params%stress_mask,C_volAvg) S = utilities_maskedCompliance(params%rotation_BC,params%stress_mask,C_volAvg)
if (num%update_gamma) call utilities_updateGamma(C_minMaxAvg) if (num%update_gamma) call utilities_updateGamma(C_minMaxAvg)
call SNESsolve(SNES_mechanical,PETSC_NULL_VEC,solution_vec,err_PETSc) call SNESsolve(SNES_mech,PETSC_NULL_VEC,F_PETSc,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESGetConvergedReason(SNES_mechanical,reason,err_PETSc) call SNESGetConvergedReason(SNES_mech,reason,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
solution%converged = reason > 0 solution%converged = reason > 0
@ -324,7 +323,7 @@ subroutine grid_mechanical_spectral_basic_forward(cutBack,guess,Delta_t,Delta_t_
real(pREAL), pointer, dimension(:,:,:,:) :: F real(pREAL), pointer, dimension(:,:,:,:) :: F
call DMDAVecGetArrayF90(da,solution_vec,F,err_PETSc) call DMDAVecGetArrayF90(DM_mech,F_PETSc,F,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
if (cutBack) then if (cutBack) then
@ -368,7 +367,7 @@ subroutine grid_mechanical_spectral_basic_forward(cutBack,guess,Delta_t,Delta_t_
F = reshape(utilities_forwardField(Delta_t,F_lastInc,Fdot, & ! estimate of F at end of time+Delta_t that matches rotated F_aim on average F = reshape(utilities_forwardField(Delta_t,F_lastInc,Fdot, & ! estimate of F at end of time+Delta_t that matches rotated F_aim on average
rotation_BC%rotate(F_aim,active=.true.)),[9,cells(1),cells(2),cells3]) rotation_BC%rotate(F_aim,active=.true.)),[9,cells(1),cells(2),cells3])
call DMDAVecRestoreArrayF90(da,solution_vec,F,err_PETSc) call DMDAVecRestoreArrayF90(DM_mech,F_PETSc,F,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -388,10 +387,10 @@ subroutine grid_mechanical_spectral_basic_updateCoords()
PetscErrorCode :: err_PETSc PetscErrorCode :: err_PETSc
real(pREAL), dimension(:,:,:,:), pointer :: F real(pREAL), dimension(:,:,:,:), pointer :: F
call DMDAVecGetArrayReadF90(da,solution_vec,F,err_PETSc) call DMDAVecGetArrayReadF90(DM_mech,F_PETSc,F,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call utilities_updateCoords(reshape(F,[3,3,size(F,2),size(F,3),size(F,4)])) call utilities_updateCoords(reshape(F,[3,3,size(F,2),size(F,3),size(F,4)]))
call DMDAVecRestoreArrayReadF90(da,solution_vec,F,err_PETSc) call DMDAVecRestoreArrayReadF90(DM_mech,F_PETSc,F,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
end subroutine grid_mechanical_spectral_basic_updateCoords end subroutine grid_mechanical_spectral_basic_updateCoords
@ -406,7 +405,7 @@ subroutine grid_mechanical_spectral_basic_restartWrite()
integer(HID_T) :: fileHandle, groupHandle integer(HID_T) :: fileHandle, groupHandle
real(pREAL), dimension(:,:,:,:), pointer :: F real(pREAL), dimension(:,:,:,:), pointer :: F
call DMDAVecGetArrayReadF90(da,solution_vec,F,err_PETSc) call DMDAVecGetArrayReadF90(DM_mech,F_PETSc,F,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
if (num%update_gamma) C_minMaxAvgRestart = C_minMaxAvg if (num%update_gamma) C_minMaxAvgRestart = C_minMaxAvg
@ -434,7 +433,7 @@ subroutine grid_mechanical_spectral_basic_restartWrite()
call HDF5_closeFile(fileHandle) call HDF5_closeFile(fileHandle)
end if end if
call DMDAVecRestoreArrayReadF90(da,solution_vec,F,err_PETSc) call DMDAVecRestoreArrayReadF90(DM_mech,F_PETSc,F,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
end subroutine grid_mechanical_spectral_basic_restartWrite end subroutine grid_mechanical_spectral_basic_restartWrite
@ -505,9 +504,9 @@ subroutine formResidual(residual_subdomain, F, &
integer(MPI_INTEGER_KIND) :: err_MPI integer(MPI_INTEGER_KIND) :: err_MPI
call SNESGetNumberFunctionEvals(SNES_mechanical,nfuncs,err_PETSc) call SNESGetNumberFunctionEvals(SNES_mech,nfuncs,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESGetIterationNumber(SNES_mechanical,PETScIter,err_PETSc) call SNESGetIterationNumber(SNES_mech,PETScIter,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1 ! new increment if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1 ! new increment

65
src/grid/grid_mech_spectral_polarization.f90
View File

@ -57,9 +57,9 @@ module grid_mechanical_spectral_polarization
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! PETSc data ! PETSc data
DM :: da DM :: DM_mech
SNES :: SNES_mechanical SNES :: SNES_mech
Vec :: solution_vec Vec :: FandF_tau_PETSc
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! common pointwise data ! common pointwise data
@ -126,7 +126,7 @@ subroutine grid_mechanical_spectral_polarization_init(num_grid)
FandF_tau, & ! overall pointer to solution data FandF_tau, & ! overall pointer to solution data
F, & ! specific (sub)pointer F, & ! specific (sub)pointer
F_tau ! specific (sub)pointer F_tau ! specific (sub)pointer
PetscInt, dimension(0:worldsize-1) :: localK integer(MPI_INTEGER_KIND), dimension(0:worldsize-1) :: cells3_global
real(pREAL), dimension(3,3,product(cells(1:2))*cells3) :: temp33n real(pREAL), dimension(3,3,product(cells(1:2))*cells3) :: temp33n
integer(HID_T) :: fileHandle, groupHandle integer(HID_T) :: fileHandle, groupHandle
type(tDict), pointer :: & type(tDict), pointer :: &
@ -189,41 +189,40 @@ subroutine grid_mechanical_spectral_polarization_init(num_grid)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! initialize solver specific parts of PETSc ! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,SNES_mechanical,err_PETSc) call SNESCreate(PETSC_COMM_WORLD,SNES_mech,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESSetOptionsPrefix(SNES_mechanical,'mechanical_',err_PETSc) call SNESSetOptionsPrefix(SNES_mech,'mechanical_',err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
localK = 0_pPetscInt call MPI_Allgather(int(cells3,pPetscInt),1_MPI_INTEGER_KIND,MPI_INTEGER,&
localK(worldrank) = int(cells3,pPetscInt) cells3_global,1_MPI_INTEGER_KIND,MPI_INTEGER,MPI_COMM_WORLD,err_MPI)
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,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'
call DMDACreate3d(PETSC_COMM_WORLD, & call DMDACreate3d(PETSC_COMM_WORLD, &
DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary
DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point
int(cells(1),pPetscInt),int(cells(2),pPetscInt),int(cells(3),pPetscInt), & ! global cells int(cells(1),pPETSCINT),int(cells(2),pPETSCINT),int(cells(3),pPETSCINT), & ! global cells
1_pPetscInt, 1_pPetscInt, int(worldsize,pPetscInt), & 1_pPETSCINT, 1_pPETSCINT, int(worldsize,pPETSCINT), &
18_pPetscInt, 0_pPetscInt, & ! #dof (2xtensor), ghost boundary width (domain overlap) 18_pPETSCINT, 0_pPETSCINT, & ! #dof (2xtensor), ghost boundary width (domain overlap)
[int(cells(1),pPetscInt)],[int(cells(2),pPetscInt)],localK, & ! local cells [int(cells(1),pPETSCINT)],[int(cells(2),pPETSCINT)],int(cells3_global,pPETSCINT), & ! local cells
da,err_PETSc) ! handle, error DM_mech,err_PETSc) ! handle, error
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMsetFromOptions(da,err_PETSc) call DMsetFromOptions(DM_mech,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMsetUp(da,err_PETSc) call DMsetUp(DM_mech,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMcreateGlobalVector(da,solution_vec,err_PETSc) ! global solution vector (cells x 18, i.e. every def grad tensor) call DMcreateGlobalVector(DM_mech,FandF_tau_PETSc,err_PETSc) ! global solution vector (cells x 18, i.e. every def grad tensor)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMDASNESsetFunctionLocal(da,INSERT_VALUES,formResidual,PETSC_NULL_SNES,err_PETSc) ! residual vector of same shape as solution vector call DMDASNESsetFunctionLocal(DM_mech,INSERT_VALUES,formResidual,PETSC_NULL_SNES,err_PETSc) ! residual vector of same shape as solution vector
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESsetConvergenceTest(SNES_mechanical,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,err_PETSc) ! specify custom convergence check function "converged" call SNESsetConvergenceTest(SNES_mech,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,err_PETSc) ! specify custom convergence check function "converged"
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESSetDM(SNES_mechanical,da,err_PETSc) call SNESSetDM(SNES_mech,DM_mech,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESsetFromOptions(SNES_mechanical,err_PETSc) ! pull it all together with additional CLI arguments call SNESsetFromOptions(SNES_mech,err_PETSc) ! pull it all together with additional CLI arguments
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! init fields ! init fields
call DMDAVecGetArrayF90(da,solution_vec,FandF_tau,err_PETSc) ! places pointer on PETSc data call DMDAVecGetArrayF90(DM_mech,FandF_tau_PETSc,FandF_tau,err_PETSc) ! places pointer on PETSc data
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
F => FandF_tau(0: 8,:,:,:) F => FandF_tau(0: 8,:,:,:)
F_tau => FandF_tau(9:17,:,:,:) F_tau => FandF_tau(9:17,:,:,:)
@ -267,7 +266,7 @@ subroutine grid_mechanical_spectral_polarization_init(num_grid)
call utilities_constitutiveResponse(P,P_av,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2 call utilities_constitutiveResponse(P,P_av,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
reshape(F,shape(F_lastInc)), & ! target F reshape(F,shape(F_lastInc)), & ! target F
0.0_pREAL) ! time increment 0.0_pREAL) ! time increment
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,err_PETSc) ! deassociate pointer call DMDAVecRestoreArrayF90(DM_mech,FandF_tau_PETSc,FandF_tau,err_PETSc) ! deassociate pointer
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
restartRead2: if (CLI_restartInc > 0) then restartRead2: if (CLI_restartInc > 0) then
@ -322,9 +321,9 @@ function grid_mechanical_spectral_polarization_solution(incInfoIn) result(soluti
S_scale = math_invSym3333(C_minMaxAvg) S_scale = math_invSym3333(C_minMaxAvg)
end if end if
call SNESSolve(SNES_mechanical,PETSC_NULL_VEC,solution_vec,err_PETSc) call SNESSolve(SNES_mech,PETSC_NULL_VEC,FandF_tau_PETSc,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESGetConvergedReason(SNES_mechanical,reason,err_PETSc) call SNESGetConvergedReason(SNES_mech,reason,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
solution%converged = reason > 0 solution%converged = reason > 0
@ -361,7 +360,7 @@ subroutine grid_mechanical_spectral_polarization_forward(cutBack,guess,Delta_t,D
real(pREAL), dimension(3,3) :: F_lambda33 real(pREAL), dimension(3,3) :: F_lambda33
call DMDAVecGetArrayF90(da,solution_vec,FandF_tau,err_PETSc) call DMDAVecGetArrayF90(DM_mech,FandF_tau_PETSc,FandF_tau,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
F => FandF_tau(0: 8,:,:,:) F => FandF_tau(0: 8,:,:,:)
F_tau => FandF_tau(9:17,:,:,:) F_tau => FandF_tau(9:17,:,:,:)
@ -425,7 +424,7 @@ subroutine grid_mechanical_spectral_polarization_forward(cutBack,guess,Delta_t,D
end do; end do; end do end do; end do; end do
end if end if
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,err_PETSc) call DMDAVecRestoreArrayF90(DM_mech,FandF_tau_PETSc,FandF_tau,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -445,10 +444,10 @@ subroutine grid_mechanical_spectral_polarization_updateCoords()
PetscErrorCode :: err_PETSc PetscErrorCode :: err_PETSc
real(pREAL), dimension(:,:,:,:), pointer :: FandF_tau real(pREAL), dimension(:,:,:,:), pointer :: FandF_tau
call DMDAVecGetArrayReadF90(da,solution_vec,FandF_tau,err_PETSc) call DMDAVecGetArrayReadF90(DM_mech,FandF_tau_PETSc,FandF_tau,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call utilities_updateCoords(reshape(FandF_tau(0:8,:,:,:),[3,3,size(FandF_tau,2),size(FandF_tau,3),size(FandF_tau,4)])) call utilities_updateCoords(reshape(FandF_tau(0:8,:,:,:),[3,3,size(FandF_tau,2),size(FandF_tau,3),size(FandF_tau,4)]))
call DMDAVecRestoreArrayReadF90(da,solution_vec,FandF_tau,err_PETSc) call DMDAVecRestoreArrayReadF90(DM_mech,FandF_tau_PETSc,FandF_tau,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
end subroutine grid_mechanical_spectral_polarization_updateCoords end subroutine grid_mechanical_spectral_polarization_updateCoords
@ -463,7 +462,7 @@ subroutine grid_mechanical_spectral_polarization_restartWrite()
integer(HID_T) :: fileHandle, groupHandle integer(HID_T) :: fileHandle, groupHandle
real(pREAL), dimension(:,:,:,:), pointer :: FandF_tau, F, F_tau real(pREAL), dimension(:,:,:,:), pointer :: FandF_tau, F, F_tau
call DMDAVecGetArrayReadF90(da,solution_vec,FandF_tau,err_PETSc) call DMDAVecGetArrayReadF90(DM_mech,FandF_tau_PETSc,FandF_tau,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
F => FandF_tau(0: 8,:,:,:) F => FandF_tau(0: 8,:,:,:)
F_tau => FandF_tau(9:17,:,:,:) F_tau => FandF_tau(9:17,:,:,:)
@ -495,7 +494,7 @@ subroutine grid_mechanical_spectral_polarization_restartWrite()
call HDF5_closeFile(fileHandle) call HDF5_closeFile(fileHandle)
end if end if
call DMDAVecRestoreArrayReadF90(da,solution_vec,FandF_tau,err_PETSc) call DMDAVecRestoreArrayReadF90(DM_mech,FandF_tau_PETSc,FandF_tau,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
end subroutine grid_mechanical_spectral_polarization_restartWrite end subroutine grid_mechanical_spectral_polarization_restartWrite
@ -583,9 +582,9 @@ subroutine formResidual(residual_subdomain, FandF_tau, &
call MPI_Allreduce(MPI_IN_PLACE,F_av,9_MPI_INTEGER_KIND,MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,err_MPI) call MPI_Allreduce(MPI_IN_PLACE,F_av,9_MPI_INTEGER_KIND,MPI_DOUBLE,MPI_SUM,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'
call SNESGetNumberFunctionEvals(SNES_mechanical,nfuncs,err_PETSc) call SNESGetNumberFunctionEvals(SNES_mech,nfuncs,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESGetIterationNumber(SNES_mechanical,PETScIter,err_PETSc) call SNESGetIterationNumber(SNES_mech,PETScIter,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1 ! new increment if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1 ! new increment

171
src/grid/grid_thermal_spectral.f90
View File

@ -47,9 +47,8 @@ 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
@ -74,10 +73,10 @@ subroutine grid_thermal_spectral_init(num_grid)
type(tDict), pointer, intent(in) :: num_grid type(tDict), pointer, intent(in) :: num_grid
PetscInt, dimension(0:worldsize-1) :: localK integer(MPI_INTEGER_KIND), dimension(0:worldsize-1) :: cells3_global
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
@ -89,6 +88,7 @@ subroutine grid_thermal_spectral_init(num_grid)
petsc_options petsc_options
print'(/,1x,a)', '<<<+- grid_thermal_spectral init -+>>>' print'(/,1x,a)', '<<<+- grid_thermal_spectral init -+>>>'
print'(/,1x,a)', 'P. Shanthraj et al., Handbook of Mechanics of Materials, 2019' print'(/,1x,a)', 'P. Shanthraj et al., Handbook of Mechanics of Materials, 2019'
@ -117,45 +117,39 @@ subroutine grid_thermal_spectral_init(num_grid)
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,petsc_options,err_PETSc) call PetscOptionsInsertString(PETSC_NULL_OPTIONS,petsc_options,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)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call SNESSetOptionsPrefix(SNES_thermal,'thermal_',err_PETSc) call SNESSetOptionsPrefix(SNES_thermal,'thermal_',err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
localK = 0_pPetscInt call MPI_Allgather(int(cells3,pPETSCINT),1_MPI_INTEGER_KIND,MPI_INTEGER,&
localK(worldrank) = int(cells3,pPetscInt) cells3_global,1_MPI_INTEGER_KIND,MPI_INTEGER,MPI_COMM_WORLD,err_MPI)
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,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'
call DMDACreate3D(PETSC_COMM_WORLD, & call DMDACreate3D(PETSC_COMM_WORLD, &
DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary
DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point
int(cells(1),pPetscInt),int(cells(2),pPetscInt),int(cells(3),pPetscInt), & ! global cells int(cells(1),pPETSCINT),int(cells(2),pPETSCINT),int(cells(3),pPETSCINT), & ! global cells
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)],int(cells3_global,pPETSCINT), & ! 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
@ -167,20 +161,23 @@ subroutine grid_thermal_spectral_init(num_grid)
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()
@ -195,37 +192,43 @@ 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)
T_min = minval(T)
T_max = maxval(T)
stagNorm = maxval(abs(T - T_stagInc)) stagNorm = maxval(abs(T - T_stagInc))
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
@ -233,15 +236,14 @@ 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
@ -252,42 +254,40 @@ 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
@ -297,13 +297,14 @@ 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)
@ -316,13 +317,12 @@ 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
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Construct the residual vector. !> @brief Construct the residual vector.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -333,7 +333,7 @@ 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
@ -341,24 +341,25 @@ 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)
end associate
err_PETSc = 0 err_PETSc = 0
end subroutine formResidual end subroutine formResidual

40
src/result.f90
View File

@ -495,10 +495,9 @@ subroutine result_mapping_phase(ID,entry,label)
integer, dimension(:,:), intent(in) :: entry !< phase entry at (co,ce) integer, dimension(:,:), intent(in) :: entry !< phase entry at (co,ce)
character(len=*), dimension(:), intent(in) :: label !< label of each phase section character(len=*), dimension(:), intent(in) :: label !< label of each phase section
integer(pI64), dimension(size(entry,1),size(entry,2)) :: & integer(pI64), dimension(size(entry,1),size(entry,2)) :: entryGlobal
entryGlobal
integer(pI64), dimension(size(label),0:worldsize-1) :: entryOffset !< offset in entry counting per process integer(pI64), dimension(size(label),0:worldsize-1) :: entryOffset !< offset in entry counting per process
integer, dimension(0:worldsize-1) :: writeSize !< amount of data written per process integer(MPI_INTEGER_KIND), dimension(0:worldsize-1) :: writeSize !< amount of data written per process
integer(HSIZE_T), dimension(2) :: & integer(HSIZE_T), dimension(2) :: &
myShape, & !< shape of the dataset (this process) myShape, & !< shape of the dataset (this process)
myOffset, & myOffset, &
@ -521,21 +520,19 @@ subroutine result_mapping_phase(ID,entry,label)
integer(MPI_INTEGER_KIND) :: err_MPI integer(MPI_INTEGER_KIND) :: err_MPI
writeSize = 0
writeSize(worldrank) = size(entry(1,:)) ! total number of entries of this process
call H5Pcreate_f(H5P_DATASET_XFER_F, plist_id, hdferr) call H5Pcreate_f(H5P_DATASET_XFER_F, plist_id, hdferr)
call HDF5_chkerr(hdferr) call HDF5_chkerr(hdferr)
#ifndef PETSC #ifndef PETSC
entryGlobal = int(entry -1,pI64) ! 0-based entryGlobal = int(entry-1,pI64) ! 0-based
writeSize(0) = size(entry,dim=2,kind=MPI_INTEGER_KIND) ! total number of entries of this process
#else #else
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! MPI settings and communication ! MPI settings and communication
call H5Pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr) call H5Pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr)
call HDF5_chkerr(hdferr) call HDF5_chkerr(hdferr)
call MPI_Allgather(size(entry,dim=2,kind=MPI_INTEGER_KIND),1_MPI_INTEGER_KIND,MPI_INTEGER,&
call MPI_Allreduce(MPI_IN_PLACE,writeSize,worldsize,MPI_INTEGER,MPI_SUM,MPI_COMM_WORLD,err_MPI) ! get output at each process writeSize,1_MPI_INTEGER_KIND,MPI_INTEGER,MPI_COMM_WORLD,err_MPI)
call parallelization_chkerr(err_MPI) call parallelization_chkerr(err_MPI)
entryOffset = 0_pI64 entryOffset = 0_pI64
@ -554,9 +551,9 @@ subroutine result_mapping_phase(ID,entry,label)
end do end do
#endif #endif
myShape = int([size(ID,1),writeSize(worldrank)], HSIZE_T) myShape = int([size(ID,1,MPI_INTEGER_KIND),writeSize(worldrank)], HSIZE_T)
myOffset = int([0,sum(writeSize(0:worldrank-1))], HSIZE_T) myOffset = int([0_MPI_INTEGER_KIND,sum(writeSize(0:worldrank-1))], HSIZE_T)
totalShape = int([size(ID,1),sum(writeSize)], HSIZE_T) totalShape = int([size(ID,1,MPI_INTEGER_KIND),sum(writeSize)], HSIZE_T)
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
! compound type: label(ID) + entry ! compound type: label(ID) + entry
@ -651,10 +648,9 @@ subroutine result_mapping_homogenization(ID,entry,label)
integer, dimension(:), intent(in) :: entry !< homogenization entry at (ce) integer, dimension(:), intent(in) :: entry !< homogenization entry at (ce)
character(len=*), dimension(:), intent(in) :: label !< label of each homogenization section character(len=*), dimension(:), intent(in) :: label !< label of each homogenization section
integer(pI64), dimension(size(entry,1)) :: & integer(pI64), dimension(size(entry,1)) :: entryGlobal
entryGlobal
integer(pI64), dimension(size(label),0:worldsize-1) :: entryOffset !< offset in entry counting per process integer(pI64), dimension(size(label),0:worldsize-1) :: entryOffset !< offset in entry counting per process
integer, dimension(0:worldsize-1) :: writeSize !< amount of data written per process integer(MPI_INTEGER_KIND), dimension(0:worldsize-1) :: writeSize !< amount of data written per process
integer(HSIZE_T), dimension(1) :: & integer(HSIZE_T), dimension(1) :: &
myShape, & !< shape of the dataset (this process) myShape, & !< shape of the dataset (this process)
myOffset, & myOffset, &
@ -677,31 +673,29 @@ subroutine result_mapping_homogenization(ID,entry,label)
integer(MPI_INTEGER_KIND) :: err_MPI integer(MPI_INTEGER_KIND) :: err_MPI
writeSize = 0
writeSize(worldrank) = size(entry) ! total number of entries of this process
call H5Pcreate_f(H5P_DATASET_XFER_F, plist_id, hdferr) call H5Pcreate_f(H5P_DATASET_XFER_F, plist_id, hdferr)
call HDF5_chkerr(hdferr) call HDF5_chkerr(hdferr)
#ifndef PETSC #ifndef PETSC
entryGlobal = int(entry -1,pI64) ! 0-based entryGlobal = int(entry-1,pI64)
writeSize(0) = size(entry,kind=MPI_INTEGER_KIND) ! total number of entries of this process ! 0-based
#else #else
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! MPI settings and communication ! MPI settings and communication
call H5Pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr) call H5Pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr)
call HDF5_chkerr(hdferr) call HDF5_chkerr(hdferr)
call MPI_Allgather(size(entry,kind=MPI_INTEGER_KIND),1_MPI_INTEGER_KIND,MPI_INTEGER,&
call MPI_Allreduce(MPI_IN_PLACE,writeSize,worldsize,MPI_INTEGER,MPI_SUM,MPI_COMM_WORLD,err_MPI) ! get output at each process writeSize,1_MPI_INTEGER_KIND,MPI_INTEGER,MPI_COMM_WORLD,err_MPI)
call parallelization_chkerr(err_MPI) call parallelization_chkerr(err_MPI)
entryOffset = 0_pI64 entryOffset = 0_pI64
do ce = 1, size(ID,1) do ce = 1, size(ID)
entryOffset(ID(ce),worldrank) = entryOffset(ID(ce),worldrank) +1_pI64 entryOffset(ID(ce),worldrank) = entryOffset(ID(ce),worldrank) +1_pI64
end do end do
call MPI_Allreduce(MPI_IN_PLACE,entryOffset,size(entryOffset),MPI_INTEGER8,MPI_SUM,MPI_COMM_WORLD,err_MPI)! get offset at each process call MPI_Allreduce(MPI_IN_PLACE,entryOffset,size(entryOffset),MPI_INTEGER8,MPI_SUM,MPI_COMM_WORLD,err_MPI)! get offset at each process
call parallelization_chkerr(err_MPI) call parallelization_chkerr(err_MPI)
entryOffset(:,worldrank) = sum(entryOffset(:,0:worldrank-1),2) entryOffset(:,worldrank) = sum(entryOffset(:,0:worldrank-1),2)
do ce = 1, size(ID,1) do ce = 1, size(ID)
entryGlobal(ce) = int(entry(ce),pI64) -1_pI64 + entryOffset(ID(ce),worldrank) entryGlobal(ce) = int(entry(ce),pI64) -1_pI64 + entryOffset(ID(ce),worldrank)
end do end do
#endif #endif