521 lines
27 KiB
Fortran
521 lines
27 KiB
Fortran
!--------------------------------------------------------------------------------------------------
|
||
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
|
||
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
|
||
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
|
||
!> @brief Grid solver for mechanics: Spectral basic
|
||
!--------------------------------------------------------------------------------------------------
|
||
module grid_mechanical_spectral_basic
|
||
#include <petsc/finclude/petscsnes.h>
|
||
#include <petsc/finclude/petscdmda.h>
|
||
use PETScDMDA
|
||
use PETScSNES
|
||
#if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>14) && !defined(PETSC_HAVE_MPI_F90MODULE_VISIBILITY)
|
||
use MPI_f08
|
||
#endif
|
||
|
||
use prec
|
||
use parallelization
|
||
use DAMASK_interface
|
||
use IO
|
||
use HDF5
|
||
use HDF5_utilities
|
||
use math
|
||
use rotations
|
||
use spectral_utilities
|
||
use config
|
||
use homogenization
|
||
use discretization_grid
|
||
|
||
implicit none
|
||
private
|
||
|
||
type(tSolutionParams) :: params
|
||
|
||
type :: tNumerics
|
||
logical :: update_gamma !< update gamma operator with current stiffness
|
||
integer :: &
|
||
itmin, & !< minimum number of iterations
|
||
itmax !< maximum number of iterations
|
||
real(pReal) :: &
|
||
eps_div_atol, & !< absolute tolerance for equilibrium
|
||
eps_div_rtol, & !< relative tolerance for equilibrium
|
||
eps_stress_atol, & !< absolute tolerance for fullfillment of stress BC
|
||
eps_stress_rtol !< relative tolerance for fullfillment of stress BC
|
||
end type tNumerics
|
||
|
||
type(tNumerics) :: num ! numerics parameters. Better name?
|
||
|
||
logical :: debugRotation
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
! PETSc data
|
||
DM :: da
|
||
SNES :: snes
|
||
Vec :: solution_vec
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
! common pointwise data
|
||
real(pReal), dimension(:,:,:,:,:), allocatable :: &
|
||
F_lastInc, & !< field of previous compatible deformation gradients
|
||
Fdot !< field of assumed rate of compatible deformation gradient
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
! stress, stiffness and compliance average etc.
|
||
real(pReal), dimension(3,3) :: &
|
||
F_aimDot = 0.0_pReal, & !< assumed rate of average deformation gradient
|
||
F_aim = math_I3, & !< current prescribed deformation gradient
|
||
F_aim_lastInc = math_I3, & !< previous average deformation gradient
|
||
P_av = 0.0_pReal, & !< average 1st Piola--Kirchhoff stress
|
||
P_aim = 0.0_pReal
|
||
character(len=:), allocatable :: incInfo !< time and increment information
|
||
real(pReal), dimension(3,3,3,3) :: &
|
||
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
||
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
||
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
||
C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness
|
||
S = 0.0_pReal !< current compliance (filled up with zeros)
|
||
|
||
real(pReal) :: &
|
||
err_BC, & !< deviation from stress BC
|
||
err_div !< RMS of div of P
|
||
|
||
integer :: &
|
||
totalIter = 0 !< total iteration in current increment
|
||
|
||
public :: &
|
||
grid_mechanical_spectral_basic_init, &
|
||
grid_mechanical_spectral_basic_solution, &
|
||
grid_mechanical_spectral_basic_forward, &
|
||
grid_mechanical_spectral_basic_updateCoords, &
|
||
grid_mechanical_spectral_basic_restartWrite
|
||
|
||
contains
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
!> @brief allocates all necessary fields and fills them with data, potentially from restart info
|
||
!--------------------------------------------------------------------------------------------------
|
||
subroutine grid_mechanical_spectral_basic_init
|
||
|
||
real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: P
|
||
PetscErrorCode :: ierr
|
||
PetscScalar, pointer, dimension(:,:,:,:) :: &
|
||
F ! pointer to solution data
|
||
PetscInt, dimension(0:worldsize-1) :: localK
|
||
integer(HID_T) :: fileHandle, groupHandle
|
||
#if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>14) && !defined(PETSC_HAVE_MPI_F90MODULE_VISIBILITY)
|
||
type(MPI_File) :: fileUnit
|
||
#else
|
||
integer :: fileUnit
|
||
#endif
|
||
class (tNode), pointer :: &
|
||
num_grid, &
|
||
debug_grid
|
||
|
||
print'(/,a)', ' <<<+- grid_mechanical_spectral_basic init -+>>>'; flush(IO_STDOUT)
|
||
|
||
print*, 'P. Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
|
||
print*, 'https://doi.org/10.1016/j.ijplas.2012.09.012'//IO_EOL
|
||
|
||
print*, 'P. Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
|
||
print*, 'https://doi.org/10.1016/j.ijplas.2014.02.006'
|
||
|
||
!-------------------------------------------------------------------------------------------------
|
||
! debugging options
|
||
debug_grid => config_debug%get('grid',defaultVal=emptyList)
|
||
debugRotation = debug_grid%contains('rotation')
|
||
|
||
!-------------------------------------------------------------------------------------------------
|
||
! read numerical parameters and do sanity checks
|
||
num_grid => config_numerics%get('grid',defaultVal=emptyDict)
|
||
|
||
num%update_gamma = num_grid%get_asBool ('update_gamma', defaultVal=.false.)
|
||
num%eps_div_atol = num_grid%get_asFloat('eps_div_atol', defaultVal=1.0e-4_pReal)
|
||
num%eps_div_rtol = num_grid%get_asFloat('eps_div_rtol', defaultVal=5.0e-4_pReal)
|
||
num%eps_stress_atol = num_grid%get_asFloat('eps_stress_atol',defaultVal=1.0e3_pReal)
|
||
num%eps_stress_rtol = num_grid%get_asFloat('eps_stress_rtol',defaultVal=1.0e-3_pReal)
|
||
num%itmin = num_grid%get_asInt ('itmin',defaultVal=1)
|
||
num%itmax = num_grid%get_asInt ('itmax',defaultVal=250)
|
||
|
||
if (num%eps_div_atol <= 0.0_pReal) call IO_error(301,ext_msg='eps_div_atol')
|
||
if (num%eps_div_rtol < 0.0_pReal) call IO_error(301,ext_msg='eps_div_rtol')
|
||
if (num%eps_stress_atol <= 0.0_pReal) call IO_error(301,ext_msg='eps_stress_atol')
|
||
if (num%eps_stress_rtol < 0.0_pReal) call IO_error(301,ext_msg='eps_stress_rtol')
|
||
if (num%itmax <= 1) call IO_error(301,ext_msg='itmax')
|
||
if (num%itmin > num%itmax .or. num%itmin < 1) call IO_error(301,ext_msg='itmin')
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
! set default and user defined options for PETSc
|
||
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mechanical_snes_type ngmres',ierr)
|
||
CHKERRQ(ierr)
|
||
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_grid%get_asString('petsc_options',defaultVal=''),ierr)
|
||
CHKERRQ(ierr)
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
! allocate global fields
|
||
allocate(F_lastInc(3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
|
||
allocate(Fdot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
! initialize solver specific parts of PETSc
|
||
call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
|
||
call SNESSetOptionsPrefix(snes,'mechanical_',ierr);CHKERRQ(ierr)
|
||
localK = 0
|
||
localK(worldrank) = grid3
|
||
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,MPI_COMM_WORLD,ierr)
|
||
call DMDACreate3d(PETSC_COMM_WORLD, &
|
||
DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary
|
||
DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point
|
||
grid(1),grid(2),grid(3), & ! global grid
|
||
1 , 1, worldsize, &
|
||
9, 0, & ! #dof (F tensor), ghost boundary width (domain overlap)
|
||
[grid(1)],[grid(2)],localK, & ! local grid
|
||
da,ierr) ! handle, error
|
||
CHKERRQ(ierr)
|
||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da
|
||
call DMsetFromOptions(da,ierr); CHKERRQ(ierr)
|
||
call DMsetUp(da,ierr); CHKERRQ(ierr)
|
||
call DMcreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
|
||
call DMDASNESsetFunctionLocal(da,INSERT_VALUES,formResidual,PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
|
||
CHKERRQ(ierr)
|
||
call SNESsetConvergenceTest(snes,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "converged"
|
||
CHKERRQ(ierr)
|
||
call SNESsetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional CLI arguments
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
! init fields
|
||
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! places pointer on PETSc data
|
||
|
||
restartRead: if (interface_restartInc > 0) then
|
||
print'(/,a,i0,a)', ' reading restart data of increment ', interface_restartInc, ' from file'
|
||
|
||
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r')
|
||
groupHandle = HDF5_openGroup(fileHandle,'solver')
|
||
|
||
call HDF5_read(P_aim,groupHandle,'P_aim',.false.)
|
||
call MPI_Bcast(P_aim,9,MPI_DOUBLE,0,MPI_COMM_WORLD,ierr)
|
||
if(ierr /=0) error stop 'MPI error'
|
||
call HDF5_read(F_aim,groupHandle,'F_aim',.false.)
|
||
call MPI_Bcast(F_aim,9,MPI_DOUBLE,0,MPI_COMM_WORLD,ierr)
|
||
if(ierr /=0) error stop 'MPI error'
|
||
call HDF5_read(F_aim_lastInc,groupHandle,'F_aim_lastInc',.false.)
|
||
call MPI_Bcast(F_aim_lastInc,9,MPI_DOUBLE,0,MPI_COMM_WORLD,ierr)
|
||
if(ierr /=0) error stop 'MPI error'
|
||
call HDF5_read(F_aimDot,groupHandle,'F_aimDot',.false.)
|
||
call MPI_Bcast(F_aimDot,9,MPI_DOUBLE,0,MPI_COMM_WORLD,ierr)
|
||
if(ierr /=0) error stop 'MPI error'
|
||
call HDF5_read(F,groupHandle,'F')
|
||
call HDF5_read(F_lastInc,groupHandle,'F_lastInc')
|
||
|
||
elseif (interface_restartInc == 0) then restartRead
|
||
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
||
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
||
endif restartRead
|
||
|
||
homogenization_F0 = reshape(F_lastInc, [3,3,product(grid(1:2))*grid3]) ! set starting condition for homogenization_mechanical_response
|
||
call utilities_updateCoords(reshape(F,shape(F_lastInc)))
|
||
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
|
||
0.0_pReal) ! time increment
|
||
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! deassociate pointer
|
||
|
||
restartRead2: if (interface_restartInc > 0) then
|
||
print'(a,i0,a)', ' reading more restart data of increment ', interface_restartInc, ' from file'
|
||
call HDF5_read(C_volAvg,groupHandle,'C_volAvg',.false.)
|
||
call MPI_Bcast(C_volAvg,81,MPI_DOUBLE,0,MPI_COMM_WORLD,ierr)
|
||
if(ierr /=0) error stop 'MPI error'
|
||
call HDF5_read(C_volAvgLastInc,groupHandle,'C_volAvgLastInc',.false.)
|
||
call MPI_Bcast(C_volAvgLastInc,81,MPI_DOUBLE,0,MPI_COMM_WORLD,ierr)
|
||
if(ierr /=0) error stop 'MPI error'
|
||
|
||
call HDF5_closeGroup(groupHandle)
|
||
call HDF5_closeFile(fileHandle)
|
||
|
||
call MPI_File_open(MPI_COMM_WORLD, trim(getSolverJobName())//'.C_ref', &
|
||
MPI_MODE_RDONLY,MPI_INFO_NULL,fileUnit,ierr)
|
||
call MPI_File_read(fileUnit,C_minMaxAvg,81,MPI_DOUBLE,MPI_STATUS_IGNORE,ierr)
|
||
call MPI_File_close(fileUnit,ierr)
|
||
endif restartRead2
|
||
|
||
call utilities_updateGamma(C_minMaxAvg)
|
||
call utilities_saveReferenceStiffness
|
||
|
||
end subroutine grid_mechanical_spectral_basic_init
|
||
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
!> @brief solution for the basic scheme with internal iterations
|
||
!--------------------------------------------------------------------------------------------------
|
||
function grid_mechanical_spectral_basic_solution(incInfoIn) result(solution)
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
! input data for solution
|
||
character(len=*), intent(in) :: &
|
||
incInfoIn
|
||
type(tSolutionState) :: &
|
||
solution
|
||
!--------------------------------------------------------------------------------------------------
|
||
! PETSc Data
|
||
PetscErrorCode :: ierr
|
||
SNESConvergedReason :: reason
|
||
|
||
incInfo = incInfoIn
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
! update stiffness (and gamma operator)
|
||
S = utilities_maskedCompliance(params%rotation_BC,params%stress_mask,C_volAvg)
|
||
if(num%update_gamma) call utilities_updateGamma(C_minMaxAvg)
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
! solve BVP
|
||
call SNESsolve(snes,PETSC_NULL_VEC,solution_vec,ierr); CHKERRQ(ierr)
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
! check convergence
|
||
call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
|
||
|
||
solution%converged = reason > 0
|
||
solution%iterationsNeeded = totalIter
|
||
solution%termIll = terminallyIll
|
||
terminallyIll = .false.
|
||
P_aim = merge(P_aim,P_av,params%stress_mask)
|
||
|
||
end function grid_mechanical_spectral_basic_solution
|
||
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
!> @brief forwarding routine
|
||
!> @details find new boundary conditions and best F estimate for end of current timestep
|
||
!--------------------------------------------------------------------------------------------------
|
||
subroutine grid_mechanical_spectral_basic_forward(cutBack,guess,Delta_t,Delta_t_old,t_remaining,&
|
||
deformation_BC,stress_BC,rotation_BC)
|
||
|
||
logical, intent(in) :: &
|
||
cutBack, &
|
||
guess
|
||
real(pReal), intent(in) :: &
|
||
Delta_t_old, &
|
||
Delta_t, &
|
||
t_remaining !< remaining time of current load case
|
||
type(tBoundaryCondition), intent(in) :: &
|
||
stress_BC, &
|
||
deformation_BC
|
||
type(rotation), intent(in) :: &
|
||
rotation_BC
|
||
PetscErrorCode :: ierr
|
||
PetscScalar, pointer, dimension(:,:,:,:) :: F
|
||
|
||
|
||
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
|
||
|
||
if (cutBack) then
|
||
C_volAvg = C_volAvgLastInc
|
||
C_minMaxAvg = C_minMaxAvgLastInc
|
||
else
|
||
C_volAvgLastInc = C_volAvg
|
||
C_minMaxAvgLastInc = C_minMaxAvg
|
||
|
||
F_aimDot = merge(merge((F_aim-F_aim_lastInc)/Delta_t_old,0.0_pReal,stress_BC%mask), 0.0_pReal, guess) ! estimate deformation rate for prescribed stress components
|
||
F_aim_lastInc = F_aim
|
||
|
||
!-----------------------------------------------------------------------------------------------
|
||
! calculate rate for aim
|
||
if (deformation_BC%myType=='L') then ! calculate F_aimDot from given L and current F
|
||
F_aimDot = F_aimDot &
|
||
+ merge(matmul(deformation_BC%values, F_aim_lastInc),.0_pReal,deformation_BC%mask)
|
||
elseif (deformation_BC%myType=='dot_F') then ! F_aimDot is prescribed
|
||
F_aimDot = F_aimDot &
|
||
+ merge(deformation_BC%values,.0_pReal,deformation_BC%mask)
|
||
elseif (deformation_BC%myType=='F') then ! aim at end of load case is prescribed
|
||
F_aimDot = F_aimDot &
|
||
+ merge((deformation_BC%values - F_aim_lastInc)/t_remaining,.0_pReal,deformation_BC%mask)
|
||
endif
|
||
|
||
Fdot = utilities_calculateRate(guess, &
|
||
F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),Delta_t_old, &
|
||
rotation_BC%rotate(F_aimDot,active=.true.))
|
||
F_lastInc = reshape(F,[3,3,grid(1),grid(2),grid3])
|
||
|
||
homogenization_F0 = reshape(F,[3,3,product(grid(1:2))*grid3])
|
||
endif
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
! update average and local deformation gradients
|
||
F_aim = F_aim_lastInc + F_aimDot * Delta_t
|
||
if (stress_BC%myType=='P') P_aim = P_aim &
|
||
+ merge((stress_BC%values - P_aim)/t_remaining,0.0_pReal,stress_BC%mask)*Delta_t
|
||
if (stress_BC%myType=='dot_P') P_aim = P_aim &
|
||
+ merge(stress_BC%values,0.0_pReal,stress_BC%mask)*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
|
||
rotation_BC%rotate(F_aim,active=.true.)),[9,grid(1),grid(2),grid3])
|
||
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
! set module wide available data
|
||
params%stress_mask = stress_BC%mask
|
||
params%rotation_BC = rotation_BC
|
||
params%timeinc = Delta_t
|
||
|
||
end subroutine grid_mechanical_spectral_basic_forward
|
||
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
!> @brief Update coordinates
|
||
!--------------------------------------------------------------------------------------------------
|
||
subroutine grid_mechanical_spectral_basic_updateCoords
|
||
|
||
PetscErrorCode :: ierr
|
||
PetscScalar, dimension(:,:,:,:), pointer :: F
|
||
|
||
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
|
||
call utilities_updateCoords(F)
|
||
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
|
||
|
||
end subroutine grid_mechanical_spectral_basic_updateCoords
|
||
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
!> @brief Write current solver and constitutive data for restart to file
|
||
!--------------------------------------------------------------------------------------------------
|
||
subroutine grid_mechanical_spectral_basic_restartWrite
|
||
|
||
PetscErrorCode :: ierr
|
||
integer(HID_T) :: fileHandle, groupHandle
|
||
PetscScalar, dimension(:,:,:,:), pointer :: F
|
||
|
||
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
|
||
|
||
print*, 'writing solver data required for restart to file'; flush(IO_STDOUT)
|
||
|
||
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','w')
|
||
groupHandle = HDF5_addGroup(fileHandle,'solver')
|
||
|
||
call HDF5_write(P_aim,groupHandle,'P_aim',.false.)
|
||
call HDF5_write(F_aim,groupHandle,'F_aim',.false.)
|
||
call HDF5_write(F_aim_lastInc,groupHandle,'F_aim_lastInc',.false.)
|
||
call HDF5_write(F_aimDot,groupHandle,'F_aimDot',.false.)
|
||
call HDF5_write(F,groupHandle,'F')
|
||
call HDF5_write(F_lastInc,groupHandle,'F_lastInc')
|
||
|
||
call HDF5_write(C_volAvg,groupHandle,'C_volAvg',.false.)
|
||
call HDF5_write(C_volAvgLastInc,groupHandle,'C_volAvgLastInc',.false.)
|
||
call HDF5_write(C_minMaxAvg,groupHandle,'C_minMaxAvg',.false.)
|
||
|
||
call HDF5_closeGroup(groupHandle)
|
||
call HDF5_closeFile(fileHandle)
|
||
|
||
if (num%update_gamma) call utilities_saveReferenceStiffness
|
||
|
||
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
|
||
|
||
end subroutine grid_mechanical_spectral_basic_restartWrite
|
||
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
!> @brief convergence check
|
||
!--------------------------------------------------------------------------------------------------
|
||
subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dummy,ierr)
|
||
|
||
SNES :: snes_local
|
||
PetscInt, intent(in) :: PETScIter
|
||
PetscReal, intent(in) :: &
|
||
devNull1, &
|
||
devNull2, &
|
||
devNull3
|
||
SNESConvergedReason :: reason
|
||
PetscObject :: dummy
|
||
PetscErrorCode :: ierr
|
||
real(pReal) :: &
|
||
divTol, &
|
||
BCTol
|
||
|
||
divTol = max(maxval(abs(P_av))*num%eps_div_rtol, num%eps_div_atol)
|
||
BCTol = max(maxval(abs(P_av))*num%eps_stress_rtol, num%eps_stress_atol)
|
||
|
||
if ((totalIter >= num%itmin .and. all([err_div/divTol, err_BC/BCTol] < 1.0_pReal)) &
|
||
.or. terminallyIll) then
|
||
reason = 1
|
||
elseif (totalIter >= num%itmax) then
|
||
reason = -1
|
||
else
|
||
reason = 0
|
||
endif
|
||
|
||
print'(1/,a)', ' ... reporting .............................................................'
|
||
print'(1/,a,f12.2,a,es8.2,a,es9.2,a)', ' error divergence = ', &
|
||
err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')'
|
||
print'(a,f12.2,a,es8.2,a,es9.2,a)', ' error stress BC = ', &
|
||
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
||
print'(/,a)', ' ==========================================================================='
|
||
flush(IO_STDOUT)
|
||
|
||
end subroutine converged
|
||
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
!> @brief forms the residual vector
|
||
!--------------------------------------------------------------------------------------------------
|
||
subroutine formResidual(in, F, &
|
||
residuum, dummy, ierr)
|
||
|
||
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in !< DMDA info (needs to be named "in" for macros like XRANGE to work)
|
||
PetscScalar, dimension(3,3,XG_RANGE,YG_RANGE,ZG_RANGE), &
|
||
intent(in) :: F !< deformation gradient field
|
||
PetscScalar, dimension(3,3,X_RANGE,Y_RANGE,Z_RANGE), &
|
||
intent(out) :: residuum !< residuum field
|
||
real(pReal), dimension(3,3) :: &
|
||
deltaF_aim
|
||
PetscInt :: &
|
||
PETScIter, &
|
||
nfuncs
|
||
PetscObject :: dummy
|
||
PetscErrorCode :: ierr
|
||
|
||
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
||
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
||
|
||
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1 ! new increment
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
! begin of new iteration
|
||
newIteration: if (totalIter <= PETScIter) then
|
||
totalIter = totalIter + 1
|
||
print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter, '≤', num%itmax
|
||
if (debugRotation) print'(/,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
|
||
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
|
||
print'(/,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
|
||
' deformation gradient aim =', transpose(F_aim)
|
||
flush(IO_STDOUT)
|
||
endif newIteration
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
! evaluate constitutive response
|
||
call utilities_constitutiveResponse(residuum, & ! "residuum" gets field of first PK stress (to save memory)
|
||
P_av,C_volAvg,C_minMaxAvg, &
|
||
F,params%timeinc,params%rotation_BC)
|
||
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,MPI_COMM_WORLD,ierr)
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
! stress BC handling
|
||
deltaF_aim = math_mul3333xx33(S, P_av - P_aim) ! S = 0.0 for no bc
|
||
F_aim = F_aim - deltaF_aim
|
||
err_BC = maxval(abs(merge(P_av - P_aim,.0_pReal,params%stress_mask)))
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
! updated deformation gradient using fix point algorithm of basic scheme
|
||
tensorField_real = 0.0_pReal
|
||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residuum ! store fPK field for subsequent FFT forward transform
|
||
call utilities_FFTtensorForward ! FFT forward of global "tensorField_real"
|
||
err_div = utilities_divergenceRMS() ! divRMS of tensorField_fourier for later use
|
||
call utilities_fourierGammaConvolution(params%rotation_BC%rotate(deltaF_aim,active=.true.)) ! convolution of Gamma and tensorField_fourier
|
||
call utilities_FFTtensorBackward ! FFT backward of global tensorField_fourier
|
||
|
||
!--------------------------------------------------------------------------------------------------
|
||
! constructing residual
|
||
residuum = tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) ! Gamma*P gives correction towards div(P) = 0, so needs to be zero, too
|
||
|
||
end subroutine formResidual
|
||
|
||
|
||
end module grid_mechanical_spectral_basic
|