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mesh_elem and theMesh are deprecated

This commit is contained in:
Martin Diehl 2019-06-06 22:49:17 +02:00
parent 0720da29fb
commit cfc1dcf04b
4 changed files with 44 additions and 127 deletions
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18
src/crystallite.f90
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@ -20,6 +20,7 @@ module crystallite
use FEsolving
use material
use constitutive
use discretization
use lattice
use future
use plastic_nonlocal
@ -174,8 +175,8 @@ subroutine crystallite_init
write(6,'(/,a)') ' <<<+- crystallite init -+>>>'
cMax = homogenization_maxNgrains
iMax = theMesh%elem%nIPs
eMax = theMesh%nElems
iMax = discretization_nIP
eMax = discretization_nElem
allocate(crystallite_S0(3,3,cMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_partionedS0(3,3,cMax,iMax,eMax), source=0.0_pReal)
@ -426,7 +427,6 @@ subroutine crystallite_init
write(6,'(a42,1x,i10)') ' # of elements: ', eMax
write(6,'(a42,1x,i10)') 'max # of integration points/element: ', iMax
write(6,'(a42,1x,i10)') 'max # of constituents/integration point: ', cMax
write(6,'(a42,1x,i10)') 'max # of neigbours/integration point: ', theMesh%elem%nIPneighbors
write(6,'(a42,1x,i10)') ' # of nonlocal constituents: ',count(.not. crystallite_localPlasticity)
flush(6)
endif
@ -443,7 +443,7 @@ end subroutine crystallite_init
!--------------------------------------------------------------------------------------------------
function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
logical, dimension(theMesh%elem%nIPs,theMesh%Nelems) :: crystallite_stress
logical, dimension(discretization_nIP,discretization_nElem) :: crystallite_stress
real(pReal), intent(in), optional :: &
dummyArgumentToPreventInternalCompilerErrorWithGCC
real(pReal) :: &
@ -512,7 +512,7 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
endIP = startIP
else singleRun
startIP = 1
endIP = theMesh%elem%nIPs
endIP = discretization_nIP
endif singleRun
NiterationCrystallite = 0
@ -1744,11 +1744,11 @@ subroutine integrateStateAdaptiveEuler
! ToDo: MD: once all constitutives use allocate state, attach residuum arrays to the state in case of adaptive Euler
real(pReal), dimension(constitutive_plasticity_maxSizeDotState, &
homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems) :: &
homogenization_maxNgrains,discretization_nIP,discretization_nElem) :: &
residuum_plastic
real(pReal), dimension(constitutive_source_maxSizeDotState,&
maxval(phase_Nsources), &
homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems) :: &
homogenization_maxNgrains,discretization_nIP,discretization_nElem) :: &
residuum_source
!--------------------------------------------------------------------------------------------------
@ -1919,11 +1919,11 @@ subroutine integrateStateRKCK45
! ToDo: MD: once all constitutives use allocate state, attach residuum arrays to the state in case of RKCK45
real(pReal), dimension(constitutive_plasticity_maxSizeDotState, &
homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems) :: &
homogenization_maxNgrains,discretization_nIP,discretization_nElem) :: &
residuum_plastic ! relative residuum from evolution in microstructure
real(pReal), dimension(constitutive_source_maxSizeDotState, &
maxval(phase_Nsources), &
homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems) :: &
homogenization_maxNgrains,discretization_nIP,discretization_nElem) :: &
residuum_source ! relative residuum from evolution in microstructure

6
src/discretization.f90
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@ -10,15 +10,15 @@ module discretization
implicit none
private
integer, public, protected :: &
integer, public, protected :: &
discretization_nIP, &
discretization_nElem
integer, dimension(:), allocatable :: &
integer, public, protected, dimension(:), allocatable :: &
discretization_homogenizationAt, &
discretization_microstructureAt
real(pReal), dimension(:,:), allocatable :: &
real(pReal), public, protected, dimension(:,:), allocatable :: &
discretization_IPcoords0, &
discretization_NodeCoords0, &
discretization_IPcoords, &

112
src/grid/grid_mech_FEM.f90
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@ -11,13 +11,18 @@ module grid_mech_FEM
use HDF5_utilities
use PETScdmda
use PETScsnes
use prec, only: &
pReal
use math, only: &
math_I3
use spectral_utilities, only: &
tSolutionState, &
tSolutionParams
use prec
use CPFEM2
use IO
use debug
use FEsolving
use numerics
use homogenization
use DAMASK_interface
use spectral_utilities
use discretization
use mesh
use math
implicit none
private
@ -74,30 +79,6 @@ contains
!> @brief allocates all necessary fields and fills them with data, potentially from restart info
!--------------------------------------------------------------------------------------------------
subroutine grid_mech_FEM_init
use IO, only: &
IO_intOut, &
IO_error, &
IO_open_jobFile_binary
use FEsolving, only: &
restartInc
use numerics, only: &
worldrank, &
worldsize, &
petsc_options
use homogenization, only: &
materialpoint_F0
use DAMASK_interface, only: &
getSolverJobName
use spectral_utilities, only: &
utilities_constitutiveResponse, &
utilities_updateIPcoords, &
wgt
use mesh, only: &
geomSize, &
grid, &
grid3
use math, only: &
math_invSym3333
real(pReal) :: HGCoeff = 0e-2_pReal
PetscInt, dimension(:), allocatable :: localK
@ -243,14 +224,6 @@ end subroutine grid_mech_FEM_init
!> @brief solution for the FEM scheme with internal iterations
!--------------------------------------------------------------------------------------------------
function grid_mech_FEM_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC) result(solution)
use IO, only: &
IO_error
use spectral_utilities, only: &
tBoundaryCondition, &
utilities_maskedCompliance
use FEsolving, only: &
restartWrite, &
terminallyIll
!--------------------------------------------------------------------------------------------------
! input data for solution
@ -304,25 +277,6 @@ end function grid_mech_FEM_solution
!> possibly writing restart information, triggering of state increment in DAMASK, and updating of IPcoordinates
!--------------------------------------------------------------------------------------------------
subroutine grid_mech_FEM_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
use math, only: &
math_rotate_backward33
use numerics, only: &
worldrank
use homogenization, only: &
materialpoint_F0
use mesh, only: &
grid, &
grid3
use CPFEM2, only: &
CPFEM_age
use spectral_utilities, only: &
utilities_updateIPcoords, &
tBoundaryCondition, &
cutBack
use IO, only: &
IO_open_jobFile_binary
use FEsolving, only: &
restartWrite
logical, intent(in) :: &
guess
@ -422,17 +376,6 @@ end subroutine grid_mech_FEM_forward
!> @brief convergence check
!--------------------------------------------------------------------------------------------------
subroutine converged(snes_local,PETScIter,devNull1,devNull2,fnorm,reason,dummy,ierr)
use mesh
use spectral_utilities
use numerics, only: &
itmax, &
itmin, &
err_div_tolRel, &
err_div_tolAbs, &
err_stress_tolRel, &
err_stress_tolAbs
use FEsolving, only: &
terminallyIll
SNES :: snes_local
PetscInt, intent(in) :: PETScIter
@ -481,28 +424,6 @@ end subroutine converged
!--------------------------------------------------------------------------------------------------
subroutine formResidual(da_local,x_local, &
f_local,dummy,ierr)
use numerics, only: &
itmax, &
itmin
use numerics, only: &
worldrank
use mesh, only: &
grid
use math, only: &
math_rotate_backward33, &
math_mul3333xx33
use debug, only: &
debug_level, &
debug_spectral, &
debug_spectralRotation
use spectral_utilities, only: &
utilities_constitutiveResponse
use IO, only: &
IO_intOut
use FEsolving, only: &
terminallyIll
use homogenization, only: &
materialpoint_dPdF
DM :: da_local
Vec :: x_local, f_local
@ -617,12 +538,7 @@ end subroutine formResidual
!> @brief forms the FEM stiffness matrix
!--------------------------------------------------------------------------------------------------
subroutine formJacobian(da_local,x_local,Jac_pre,Jac,dummy,ierr)
use mesh, only: &
mesh_ipCoordinates
use homogenization, only: &
materialpoint_dPdF
DM :: da_local
Vec :: x_local, coordinates
Mat :: Jac_pre, Jac
@ -699,7 +615,7 @@ subroutine formJacobian(da_local,x_local,Jac_pre,Jac,dummy,ierr)
ele = 0
do k = zstart, zend; do j = ystart, yend; do i = xstart, xend
ele = ele + 1
x_scal(0:2,i,j,k) = mesh_ipCoordinates(1:3,1,ele)
x_scal(0:2,i,j,k) = discretization_IPcoords(1:3,ele)
enddo; enddo; enddo
call DMDAVecRestoreArrayF90(da_local,coordinates,x_scal,ierr);CHKERRQ(ierr) ! initialize to undeformed coordinates (ToDo: use ip coordinates)
call MatNullSpaceCreateRigidBody(coordinates,matnull,ierr);CHKERRQ(ierr) ! get rigid body deformation modes

35
src/homogenization.f90
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@ -14,8 +14,9 @@ module homogenization
use numerics
use constitutive
use crystallite
use mesh
use FEsolving
use mesh
use discretization
use thermal_isothermal
use thermal_adiabatic
use thermal_conduction
@ -236,20 +237,20 @@ subroutine homogenization_init
!--------------------------------------------------------------------------------------------------
! allocate and initialize global variables
allocate(materialpoint_dPdF(3,3,3,3,theMesh%elem%nIPs,theMesh%nElems), source=0.0_pReal)
allocate(materialpoint_F0(3,3,theMesh%elem%nIPs,theMesh%nElems), source=0.0_pReal)
materialpoint_F0 = spread(spread(math_I3,3,theMesh%elem%nIPs),4,theMesh%nElems) ! initialize to identity
allocate(materialpoint_F(3,3,theMesh%elem%nIPs,theMesh%nElems), source=0.0_pReal)
allocate(materialpoint_dPdF(3,3,3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
allocate(materialpoint_F0(3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
materialpoint_F0 = spread(spread(math_I3,3,discretization_nIP),4,discretization_nElem) ! initialize to identity
allocate(materialpoint_F(3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
materialpoint_F = materialpoint_F0 ! initialize to identity
allocate(materialpoint_subF0(3,3,theMesh%elem%nIPs,theMesh%nElems), source=0.0_pReal)
allocate(materialpoint_subF(3,3,theMesh%elem%nIPs,theMesh%nElems), source=0.0_pReal)
allocate(materialpoint_P(3,3,theMesh%elem%nIPs,theMesh%nElems), source=0.0_pReal)
allocate(materialpoint_subFrac(theMesh%elem%nIPs,theMesh%nElems), source=0.0_pReal)
allocate(materialpoint_subStep(theMesh%elem%nIPs,theMesh%nElems), source=0.0_pReal)
allocate(materialpoint_subdt(theMesh%elem%nIPs,theMesh%nElems), source=0.0_pReal)
allocate(materialpoint_requested(theMesh%elem%nIPs,theMesh%nElems), source=.false.)
allocate(materialpoint_converged(theMesh%elem%nIPs,theMesh%nElems), source=.true.)
allocate(materialpoint_doneAndHappy(2,theMesh%elem%nIPs,theMesh%nElems), source=.true.)
allocate(materialpoint_subF0(3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
allocate(materialpoint_subF(3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
allocate(materialpoint_P(3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
allocate(materialpoint_subFrac(discretization_nIP,discretization_nElem), source=0.0_pReal)
allocate(materialpoint_subStep(discretization_nIP,discretization_nElem), source=0.0_pReal)
allocate(materialpoint_subdt(discretization_nIP,discretization_nElem), source=0.0_pReal)
allocate(materialpoint_requested(discretization_nIP,discretization_nElem), source=.false.)
allocate(materialpoint_converged(discretization_nIP,discretization_nElem), source=.true.)
allocate(materialpoint_doneAndHappy(2,discretization_nIP,discretization_nElem), source=.true.)
!--------------------------------------------------------------------------------------------------
! allocate and initialize global state and postresutls variables
@ -266,7 +267,7 @@ subroutine homogenization_init
+ homogenization_maxNgrains * (1 + crystallite_maxSizePostResults & ! crystallite size & crystallite results
+ 1 + constitutive_plasticity_maxSizePostResults & ! constitutive size & constitutive results
+ constitutive_source_maxSizePostResults)
allocate(materialpoint_results(materialpoint_sizeResults,theMesh%elem%nIPs,theMesh%nElems))
allocate(materialpoint_results(materialpoint_sizeResults,discretization_nIP,discretization_nElem))
write(6,'(/,a)') ' <<<+- homogenization init -+>>>'
@ -286,7 +287,7 @@ subroutine homogenization_init
endif
flush(6)
if (debug_g < 1 .or. debug_g > homogenization_Ngrains(mesh_element(3,debug_e))) &
if (debug_g < 1 .or. debug_g > homogenization_Ngrains(material_homogenizationAt(debug_e))) &
call IO_error(602,ext_msg='constituent', el=debug_e, g=debug_g)
end subroutine homogenization_init
@ -601,7 +602,7 @@ subroutine materialpoint_postResults
!$OMP PARALLEL DO PRIVATE(myNgrains,myCrystallite,thePos,theSize)
elementLooping: do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(material_homogenizationAt(e))
myCrystallite = microstructure_crystallite(mesh_element(4,e))
myCrystallite = microstructure_crystallite(discretization_microstructureAt(e))
IpLooping: do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
thePos = 0