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DAMASK_EICMD
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using new names

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Martin Diehl 2019-03-12 06:06:59 +01:00
parent c57bfd34e9
commit 2353545779
2 changed files with 67 additions and 59 deletions
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16
src/DAMASK_grid.f90
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@ -71,7 +71,7 @@ program DAMASK_spectral
FIELD_MECH_ID, & FIELD_MECH_ID, &
FIELD_THERMAL_ID, & FIELD_THERMAL_ID, &
FIELD_DAMAGE_ID FIELD_DAMAGE_ID
use spectral_mech_Basic use grid_mech_spectral_basic
use spectral_mech_Polarisation use spectral_mech_Polarisation
use grid_damage_spectral use grid_damage_spectral
use grid_thermal_spectral use grid_thermal_spectral
@ -135,11 +135,11 @@ program DAMASK_spectral
integer(pInt), parameter :: maxRealOut = maxByteOut/pReal integer(pInt), parameter :: maxRealOut = maxByteOut/pReal
integer(pLongInt), dimension(2) :: outputIndex integer(pLongInt), dimension(2) :: outputIndex
PetscErrorCode :: ierr PetscErrorCode :: ierr
procedure(basic_init), pointer :: & procedure(grid_mech_spectral_basic_init), pointer :: &
mech_init mech_init
procedure(basic_forward), pointer :: & procedure(grid_mech_spectral_basic_forward), pointer :: &
mech_forward mech_forward
procedure(basic_solution), pointer :: & procedure(grid_mech_spectral_basic_solution), pointer :: &
mech_solution mech_solution
external :: & external :: &
@ -166,10 +166,10 @@ program DAMASK_spectral
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! assign mechanics solver depending on selected type ! assign mechanics solver depending on selected type
select case (spectral_solver) select case (spectral_solver)
case (DAMASK_spectral_SolverBasic_label) case (GRID_MECH_SPECTRAL_BASIC_LABEL)
mech_init => basic_init mech_init => grid_mech_spectral_basic_init
mech_forward => basic_forward mech_forward => grid_mech_spectral_basic_forward
mech_solution => basic_solution mech_solution => grid_mech_spectral_basic_solution
case (DAMASK_spectral_SolverPolarisation_label) case (DAMASK_spectral_SolverPolarisation_label)
if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) & if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) &

110
src/grid_mech_spectral_basic.f90
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@ -2,14 +2,14 @@
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH !> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Basic scheme solver !> @brief Grid solver for mechanics: Spectral basic
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module spectral_mech_basic module grid_mech_spectral_basic
#include <petsc/finclude/petscsnes.h> #include <petsc/finclude/petscsnes.h>
#include <petsc/finclude/petscdmda.h> #include <petsc/finclude/petscdmda.h>
use PETScdmda use PETScdmda
use PETScsnes use PETScsnes
use prec, only: & use prec, only: &
pInt, & pInt, &
pReal pReal
use math, only: & use math, only: &
@ -22,7 +22,7 @@ module spectral_mech_basic
private private
character (len=*), parameter, public :: & character (len=*), parameter, public :: &
DAMASK_spectral_SolverBasic_label = 'basic' GRID_MECH_SPECTRAL_BASIC_LABEL = 'spectral_basic'
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! derived types ! derived types
@ -63,16 +63,16 @@ module spectral_mech_basic
totalIter = 0_pInt !< total iteration in current increment totalIter = 0_pInt !< total iteration in current increment
public :: & public :: &
basic_init, & grid_mech_spectral_basic_init, &
basic_solution, & grid_mech_spectral_basic_solution, &
basic_forward grid_mech_spectral_basic_forward
contains contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief allocates all necessary fields and fills them with data, potentially from restart info !> @brief allocates all necessary fields and fills them with data, potentially from restart info
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine basic_init subroutine grid_mech_spectral_basic_init
use IO, only: & use IO, only: &
IO_intOut, & IO_intOut, &
IO_error, & IO_error, &
@ -85,15 +85,16 @@ subroutine basic_init
restartInc restartInc
use numerics, only: & use numerics, only: &
worldrank, & worldrank, &
worldsize worldsize, &
petsc_options
use homogenization, only: & use homogenization, only: &
materialpoint_F0 materialpoint_F0
use DAMASK_interface, only: & use DAMASK_interface, only: &
getSolverJobName getSolverJobName
use spectral_utilities, only: & use spectral_utilities, only: &
Utilities_constitutiveResponse, & utilities_constitutiveResponse, &
Utilities_updateGamma, & utilities_updateGamma, &
Utilities_updateIPcoords, & utilities_updateIPcoords, &
wgt wgt
use mesh, only: & use mesh, only: &
grid, & grid, &
@ -111,8 +112,8 @@ subroutine basic_init
PetscInt, dimension(worldsize) :: localK PetscInt, dimension(worldsize) :: localK
integer :: fileUnit integer :: fileUnit
character(len=1024) :: rankStr character(len=1024) :: rankStr
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverBasic init -+>>>' write(6,'(/,a)') ' <<<+- grid_mech_spectral_basic init -+>>>'
write(6,'(/,a)') ' Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013' write(6,'(/,a)') ' Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2012.09.012' write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2012.09.012'
@ -120,6 +121,13 @@ subroutine basic_init
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015' write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006' write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
!--------------------------------------------------------------------------------------------------
! set default and user defined options for PETSc
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,'-mech_snes_type ngmres',ierr)
CHKERRQ(ierr)
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_options),ierr)
CHKERRQ(ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! allocate global fields ! allocate global fields
allocate (F_lastInc (3,3,grid(1),grid(2),grid3),source = 0.0_pReal) allocate (F_lastInc (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
@ -145,9 +153,9 @@ subroutine basic_init
call DMsetFromOptions(da,ierr); CHKERRQ(ierr) call DMsetFromOptions(da,ierr); CHKERRQ(ierr)
call DMsetUp(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 DMcreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
call DMDASNESsetFunctionLocal(da,INSERT_VALUES,Basic_formResidual,PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector call DMDASNESsetFunctionLocal(da,INSERT_VALUES,grid_mech_spectral_basic_formResidual,PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESsetConvergenceTest(snes,Basic_converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged" call SNESsetConvergenceTest(snes,grid_mech_spectral_basic_converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESsetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional CLI arguments call SNESsetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional CLI arguments
@ -192,8 +200,8 @@ subroutine basic_init
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! write data back to PETSc call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! write data back to PETSc
! QUESTION: why not writing back right after reading (l.189)? ! QUESTION: why not writing back right after reading (l.189)?
restartRead: if (restartInc > 0_pInt) then ! QUESTION: are those values not calc'ed by constitutiveResponse? why reading from file? restartRead: if (restartInc > 0_pInt) then
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0 .and. worldrank == 0_pInt) & if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0) &
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') & write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
'reading more values of increment ', restartInc, ' from file' 'reading more values of increment ', restartInc, ' from file'
flush(6) flush(6)
@ -207,20 +215,19 @@ subroutine basic_init
call Utilities_updateGamma(C_minMaxAvg,.true.) call Utilities_updateGamma(C_minMaxAvg,.true.)
end subroutine basic_init end subroutine grid_mech_spectral_basic_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief solution for the Basic scheme with internal iterations !> @brief solution for the Basic scheme with internal iterations
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
type(tSolutionState) function basic_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC) function grid_mech_spectral_basic_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC) result(solution)
use IO, only: &
IO_error
use numerics, only: & use numerics, only: &
update_gamma update_gamma
use spectral_utilities, only: & use spectral_utilities, only: &
tBoundaryCondition, & tBoundaryCondition, &
Utilities_maskedCompliance, & utilities_maskedCompliance, &
Utilities_updateGamma utilities_updateGamma
use FEsolving, only: & use FEsolving, only: &
restartWrite, & restartWrite, &
terminallyIll terminallyIll
@ -232,15 +239,17 @@ type(tSolutionState) function basic_solution(incInfoIn,timeinc,timeinc_old,stres
character(len=*), intent(in) :: & character(len=*), intent(in) :: &
incInfoIn incInfoIn
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
timeinc, & !< increment time for current solution timeinc, & !< time increment of current solution
timeinc_old !< increment time of last successful increment timeinc_old !< time increment of last successful increment
type(tBoundaryCondition), intent(in) :: & type(tBoundaryCondition), intent(in) :: &
stress_BC stress_BC
real(pReal), dimension(3,3), intent(in) :: rotation_BC real(pReal), dimension(3,3), intent(in) :: rotation_BC
type(tSolutionState) :: &
solution
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! PETSc Data ! PETSc Data
PetscErrorCode :: ierr PetscErrorCode :: ierr
SNESConvergedReason :: reason SNESConvergedReason :: reason
incInfo = incInfoIn incInfo = incInfoIn
@ -250,9 +259,8 @@ type(tSolutionState) function basic_solution(incInfoIn,timeinc,timeinc_old,stres
S = Utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg) S = Utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg)
if (update_gamma) call Utilities_updateGamma(C_minMaxAvg,restartWrite) if (update_gamma) call Utilities_updateGamma(C_minMaxAvg,restartWrite)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! set module wide availabe data ! set module wide available data
params%stress_mask = stress_BC%maskFloat params%stress_mask = stress_BC%maskFloat
params%stress_BC = stress_BC%values params%stress_BC = stress_BC%values
params%rotation_BC = rotation_BC params%rotation_BC = rotation_BC
@ -267,19 +275,19 @@ type(tSolutionState) function basic_solution(incInfoIn,timeinc,timeinc_old,stres
! check convergence ! check convergence
call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr) call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
basic_solution%converged = reason > 0 solution%converged = reason > 0
basic_solution%iterationsNeeded = totalIter solution%iterationsNeeded = totalIter
basic_solution%termIll = terminallyIll solution%termIll = terminallyIll
terminallyIll = .false. terminallyIll = .false.
if (reason == -4) call IO_error(893_pInt) ! MPI error
end function basic_solution
end function grid_mech_spectral_basic_solution
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief forms the basic residual vector !> @brief forms the basic residual vector
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine Basic_formResidual(in, & ! DMDA info (needs to be named "in" for XRANGE, etc. macros to work) subroutine grid_mech_spectral_basic_formResidual(in, & ! DMDA info (needs to be named "in" for XRANGE, etc. macros to work)
F, & ! defgrad field on grid F, & ! defgrad field on grid
residuum, & ! residuum field on grid residuum, & ! residuum field on grid
dummy, & dummy, &
@ -302,8 +310,8 @@ subroutine Basic_formResidual(in, &
utilities_FFTtensorForward, & utilities_FFTtensorForward, &
utilities_fourierGammaConvolution, & utilities_fourierGammaConvolution, &
utilities_FFTtensorBackward, & utilities_FFTtensorBackward, &
Utilities_constitutiveResponse, & utilities_constitutiveResponse, &
Utilities_divergenceRMS utilities_divergenceRMS
use IO, only: & use IO, only: &
IO_intOut IO_intOut
use FEsolving, only: & use FEsolving, only: &
@ -315,13 +323,13 @@ subroutine Basic_formResidual(in, &
dimension(3,3, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: F dimension(3,3, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: F
PetscScalar, & PetscScalar, &
dimension(3,3, X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: residuum dimension(3,3, X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: residuum
real(pReal), dimension(3,3) :: &
deltaF_aim
PetscInt :: & PetscInt :: &
PETScIter, & PETScIter, &
nfuncs nfuncs
PetscObject :: dummy PetscObject :: dummy
PetscErrorCode :: ierr PetscErrorCode :: ierr
real(pReal), dimension(3,3) :: &
deltaF_aim
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr) call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr) call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
@ -367,13 +375,13 @@ subroutine Basic_formResidual(in, &
! constructing residual ! 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 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 Basic_formResidual end subroutine grid_mech_spectral_basic_formResidual
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief convergence check !> @brief convergence check
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine Basic_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr) subroutine grid_mech_spectral_basic_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
use numerics, only: & use numerics, only: &
itmax, & itmax, &
itmin, & itmin, &
@ -420,21 +428,21 @@ subroutine Basic_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,i
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', & write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')' err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
write(6,'(/,a)') ' ===========================================================================' write(6,'(/,a)') ' ==========================================================================='
flush(6) flush(6)
end subroutine Basic_converged end subroutine grid_mech_spectral_basic_converged
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief forwarding routine !> @brief forwarding routine
!> @details find new boundary conditions and best F estimate for end of current timestep !> @details find new boundary conditions and best F estimate for end of current timestep
!> possibly writing restart information, triggering of state increment in DAMASK, and updating of IPcoordinates !> possibly writing restart information, triggering of state increment in DAMASK, and updating of IPcoordinates
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine Basic_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC) subroutine grid_mech_spectral_basic_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
use math, only: & use math, only: &
math_mul33x33 ,& math_mul33x33 ,&
math_rotate_backward33 math_rotate_backward33
use numerics, only: & use numerics, only: &
worldrank worldrank
use homogenization, only: & use homogenization, only: &
materialpoint_F0 materialpoint_F0
use mesh, only: & use mesh, only: &
@ -443,9 +451,9 @@ subroutine Basic_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,s
use CPFEM2, only: & use CPFEM2, only: &
CPFEM_age CPFEM_age
use spectral_utilities, only: & use spectral_utilities, only: &
Utilities_calculateRate, & utilities_calculateRate, &
Utilities_forwardField, & utilities_forwardField, &
Utilities_updateIPcoords, & utilities_updateIPcoords, &
tBoundaryCondition, & tBoundaryCondition, &
cutBack cutBack
use IO, only: & use IO, only: &
@ -465,7 +473,7 @@ subroutine Basic_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,s
deformation_BC deformation_BC
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
rotation_BC rotation_BC
PetscErrorCode :: ierr PetscErrorCode :: ierr
PetscScalar, dimension(:,:,:,:), pointer :: F PetscScalar, dimension(:,:,:,:), pointer :: F
integer :: fileUnit integer :: fileUnit
@ -536,6 +544,6 @@ subroutine Basic_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,s
math_rotate_backward33(F_aim,rotation_BC)),[9,grid(1),grid(2),grid3]) math_rotate_backward33(F_aim,rotation_BC)),[9,grid(1),grid(2),grid3])
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
end subroutine Basic_forward end subroutine grid_mech_spectral_basic_forward
end module spectral_mech_basic end module grid_mech_spectral_basic