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DAMASK_EICMD
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easier to store positions than displacement

This commit is contained in:
Martin Diehl 2019-06-06 18:28:10 +02:00
parent e4c1102bdb
commit 14da4f8e43
3 changed files with 60 additions and 130 deletions
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56
src/discretization.f90
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@ -11,43 +11,65 @@ module discretization
private
integer, public, protected :: &
discretization_nElem, &
discretization_nIP
discretization_nIP, &
discretization_nElem
real(pReal), dimension(:,:), allocatable :: &
discretization_Centers_disp, &
discretization_Nodes_disp
discretization_IPcoords0, &
discretization_NodeCoords0, &
discretization_IPcoords, &
discretization_NodeCoords
public :: &
discretization_init, &
discretization_results
discretization_results, &
discretization_setIPcoords
contains
subroutine discretization_init(nElem,nIP,nNodes)
subroutine discretization_init(nElem,IPcoords0,NodeCoords0)
integer, intent(in) :: &
nElem, &
nIP, &
nNodes
integer, intent(in) :: &
nElem
real(pReal), dimension(:,:), intent(in) :: &
IPcoords0, &
NodeCoords0
write(6,'(/,a)') ' <<<+- discretization init -+>>>'
discretization_nElem = nElem
discretization_nIP = nIP
allocate(discretization_Centers_disp(3,nIP),source = 0.0_pReal)
allocate(discretization_Nodes_disp( 3,nNodes),source = 0.0_pReal)
discretization_nElem = nElem
discretization_nIP = size(IPcoords0,2)
discretization_IPcoords0 = IPcoords0
discretization_IPcoords = IPcoords0
discretization_NodeCoords0 = NodeCoords0
discretization_NodeCoords = NodeCoords0
end subroutine discretization_init
subroutine discretization_results
call results_writeDataset('current',discretization_Nodes_disp,'U', 'nodal displacements','m')
call results_writeDataset('current',discretization_Centers_disp,'u','IP displacements','m')
real(pReal), dimension(:,:), allocatable :: u
u = discretization_NodeCoords -discretization_NodeCoords0
call results_writeDataset('current',U,'U','nodal displacements','m')
u = discretization_IPcoords -discretization_IPcoords0
call results_writeDataset('current',u,'u','IP displacements','m')
end subroutine discretization_results
subroutine discretization_setIPcoords(IPcoords)
real(pReal), dimension(:,:), intent(in) :: IPcoords
discretization_IPcoords = IPcoords
end subroutine discretization_setIPcoords
end module discretization

130
src/grid/spectral_utilities.f90
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@ -7,14 +7,19 @@ module spectral_utilities
use, intrinsic :: iso_c_binding
#include <petsc/finclude/petscsys.h>
use PETScSys
use prec, only: &
pReal, &
pStringLen
use math, only: &
math_I3
use prec
use math
use IO
use mesh
use numerics
use debug
use config
use discretization
use homogenization
implicit none
private
include 'fftw3-mpi.f03'
logical, public :: cutBack = .false. !< cut back of BVP solver in case convergence is not achieved or a material point is terminally ill
@ -170,32 +175,7 @@ contains
!> Initializes FFTW.
!--------------------------------------------------------------------------------------------------
subroutine utilities_init
use IO, only: &
IO_error, &
IO_warning, &
IO_lc
use numerics, only: &
petsc_defaultOptions, &
petsc_options
use debug, only: &
debug_level, &
debug_SPECTRAL, &
debug_LEVELBASIC, &
debug_SPECTRALDIVERGENCE, &
debug_SPECTRALFFTW, &
debug_SPECTRALPETSC, &
debug_SPECTRALROTATION
use config, only: &
config_numerics
use debug, only: &
PETSCDEBUG
use math
use mesh, only: &
grid, &
grid3, &
grid3Offset, &
geomSize
PetscErrorCode :: ierr
integer :: i, j, k, &
FFTW_planner_flag
@ -412,17 +392,6 @@ end subroutine utilities_init
!> Also writes out the current reference stiffness for restart.
!---------------------------------------------------------------------------------------------------
subroutine utilities_updateGamma(C,saveReference)
use IO, only: &
IO_open_jobFile_binary
use numerics, only: &
worldrank
use mesh, only: &
grid3Offset, &
grid3,&
grid
use math, only: &
math_det33, &
math_invert2
real(pReal), intent(in), dimension(3,3,3,3) :: C !< input stiffness to store as reference stiffness
logical , intent(in) :: saveReference !< save reference stiffness to file for restart
@ -538,13 +507,6 @@ end subroutine utilities_FFTvectorBackward
!> @brief doing convolution gamma_hat * field_real, ensuring that average value = fieldAim
!--------------------------------------------------------------------------------------------------
subroutine utilities_fourierGammaConvolution(fieldAim)
use math, only: &
math_det33, &
math_invert2
use mesh, only: &
grid3, &
grid, &
grid3Offset
real(pReal), intent(in), dimension(3,3) :: fieldAim !< desired average value of the field after convolution
complex(pReal), dimension(3,3) :: temp33_complex, xiDyad_cmplx
@ -600,12 +562,7 @@ end subroutine utilities_fourierGammaConvolution
!> @brief doing convolution DamageGreenOp_hat * field_real
!--------------------------------------------------------------------------------------------------
subroutine utilities_fourierGreenConvolution(D_ref, mobility_ref, deltaT)
use math, only: &
PI
use mesh, only: &
grid, &
grid3
real(pReal), dimension(3,3), intent(in) :: D_ref
real(pReal), intent(in) :: mobility_ref, deltaT
complex(pReal) :: GreenOp_hat
@ -676,13 +633,7 @@ end function utilities_divergenceRMS
!> @brief calculate max of curl of field_fourier
!--------------------------------------------------------------------------------------------------
real(pReal) function utilities_curlRMS()
use IO, only: &
IO_error
use mesh, only: &
geomSize, &
grid, &
grid3
integer :: i, j, k, l, ierr
complex(pReal), dimension(3,3) :: curl_fourier
complex(pReal), dimension(3) :: rescaledGeom
@ -743,17 +694,7 @@ end function utilities_curlRMS
!> @brief calculates mask compliance tensor used to adjust F to fullfill stress BC
!--------------------------------------------------------------------------------------------------
function utilities_maskedCompliance(rot_BC,mask_stress,C)
use, intrinsic :: &
IEEE_arithmetic
use IO, only: &
IO_error
use math, only: &
math_3333to99, &
math_99to3333, &
math_rotate_forward3333, &
math_rotate_forward33, &
math_invert2
real(pReal), dimension(3,3,3,3) :: utilities_maskedCompliance !< masked compliance
real(pReal), intent(in) , dimension(3,3,3,3) :: C !< current average stiffness
real(pReal), intent(in) , dimension(3,3) :: rot_BC !< rotation of load frame
@ -844,9 +785,6 @@ end function utilities_maskedCompliance
!> @brief calculate scalar gradient in fourier field
!--------------------------------------------------------------------------------------------------
subroutine utilities_fourierScalarGradient()
use mesh, only: &
grid3, &
grid
integer :: i, j, k
@ -861,9 +799,6 @@ end subroutine utilities_fourierScalarGradient
!> @brief calculate vector divergence in fourier field
!--------------------------------------------------------------------------------------------------
subroutine utilities_fourierVectorDivergence()
use mesh, only: &
grid3, &
grid
integer :: i, j, k
@ -879,9 +814,6 @@ end subroutine utilities_fourierVectorDivergence
!> @brief calculate vector gradient in fourier field
!--------------------------------------------------------------------------------------------------
subroutine utilities_fourierVectorGradient()
use mesh, only: &
grid3, &
grid
integer :: i, j, k, m, n
@ -899,10 +831,7 @@ end subroutine utilities_fourierVectorGradient
!> @brief calculate tensor divergence in fourier field
!--------------------------------------------------------------------------------------------------
subroutine utilities_fourierTensorDivergence()
use mesh, only: &
grid3, &
grid
integer :: i, j, k, m, n
vectorField_fourier = cmplx(0.0_pReal,0.0_pReal,pReal)
@ -921,21 +850,6 @@ end subroutine utilities_fourierTensorDivergence
!--------------------------------------------------------------------------------------------------
subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
F,timeinc,rotation_BC)
use IO, only: &
IO_error
use numerics, only: &
worldrank
use math, only: &
math_rotate_forward33, &
math_det33
use mesh, only: &
grid,&
grid3
use homogenization, only: &
materialpoint_F, &
materialpoint_P, &
materialpoint_dPdF, &
materialpoint_stressAndItsTangent
real(pReal),intent(out), dimension(3,3,3,3) :: C_volAvg, C_minmaxAvg !< average stiffness
real(pReal),intent(out), dimension(3,3) :: P_av !< average PK stress
@ -1127,16 +1041,6 @@ end function utilities_getFreqDerivative
! convolution
!--------------------------------------------------------------------------------------------------
subroutine utilities_updateIPcoords(F)
use prec, only: &
cNeq
use IO, only: &
IO_error
use mesh, only: &
grid, &
grid3, &
grid3Offset, &
geomSize, &
mesh_ipCoordinates
real(pReal), dimension(3,3,grid(1),grid(2),grid3), intent(in) :: F
integer :: i, j, k, m, ierr
@ -1178,6 +1082,8 @@ subroutine utilities_updateIPcoords(F)
+ matmul(Favg,step*real([i,j,k+grid3Offset]-1,pReal))
m = m+1
enddo; enddo; enddo
call discretization_setIPcoords(reshape(mesh_ipCoordinates,[3,grid(1)*grid(2)*grid3]))
end subroutine utilities_updateIPcoords

4
src/mesh_grid.f90
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@ -197,7 +197,9 @@ subroutine mesh_init(ip,el)
theMesh%homogenizationAt = mesh_element(3,:)
theMesh%microstructureAt = mesh_element(4,:)
!!!!!!!!!!!!!!!!!!!!!!!!
call discretization_init(product(grid),product(grid),mesh_Nnodes)
call discretization_init(product(grid), &
reshape(mesh_ipCoordinates,[3,grid(1)*grid(2)*grid3]),&
mesh_node0)
end subroutine mesh_init