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DAMASK_EICMD
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avoid global variables

This commit is contained in:
Martin Diehl 2022-11-19 10:50:15 +01:00
parent 18b8923929
commit cb6df618fe
3 changed files with 27 additions and 25 deletions
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15
src/grid/grid_mech_spectral_basic.f90
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@ -491,7 +491,7 @@ end subroutine converged
!--------------------------------------------------------------------------------------------------
!> @brief forms the residual vector
!> @brief Construct the residual vector.
!--------------------------------------------------------------------------------------------------
subroutine formResidual(in, F, &
r, dummy, err_PETSc)
@ -501,15 +501,17 @@ subroutine formResidual(in, F, &
intent(in) :: F !< deformation gradient field
PetscScalar, dimension(3,3,X_RANGE,Y_RANGE,Z_RANGE), &
intent(out) :: r !< residuum field
PetscObject :: dummy
PetscErrorCode :: err_PETSc
real(pReal), dimension(3,3) :: &
deltaF_aim
PetscInt :: &
PETScIter, &
nfuncs
PetscObject :: dummy
PetscErrorCode :: err_PETSc
integer(MPI_INTEGER_KIND) :: err_MPI
call SNESGetNumberFunctionEvals(SNES_mechanical,nfuncs,err_PETSc)
CHKERRQ(err_PETSc)
call SNESGetIterationNumber(SNES_mechanical,PETScIter,err_PETSc)
@ -544,12 +546,7 @@ subroutine formResidual(in, F, &
F_aim = F_aim - deltaF_aim
err_BC = maxval(abs(merge(.0_pReal,P_av - P_aim,params%stress_mask)))
tensorField_real(1:3,1:3,1:cells(1),1:cells(2),1:cells3) = r ! store fPK field for subsequent FFT forward transform
call utilities_fourierGammaConvolution(params%rotation_BC%rotate(deltaF_aim,active=.true.)) ! convolution of Gamma and tensorField_fourier
!--------------------------------------------------------------------------------------------------
! constructing residual
r = tensorField_real(1:3,1:3,1:cells(1),1:cells(2),1:cells3) ! Gamma*P gives correction towards div(P) = 0, so needs to be zero, too
r = utilities_fourierGammaConvolution(r,params%rotation_BC%rotate(deltaF_aim,active=.true.)) ! convolution of Gamma and tensorField_fourier
end subroutine formResidual

15
src/grid/grid_mech_spectral_polarisation.f90
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@ -551,7 +551,7 @@ end subroutine converged
!--------------------------------------------------------------------------------------------------
!> @brief forms the residual vector
!> @brief Construct the residual vector.
!--------------------------------------------------------------------------------------------------
subroutine formResidual(in, FandF_tau, &
r, dummy,err_PETSc)
@ -561,6 +561,9 @@ subroutine formResidual(in, FandF_tau, &
target, intent(in) :: FandF_tau
PetscScalar, dimension(3,3,2,X_RANGE,Y_RANGE,Z_RANGE),&
target, intent(out) :: r !< residuum field
PetscObject :: dummy
PetscErrorCode :: err_PETSc
PetscScalar, pointer, dimension(:,:,:,:,:) :: &
F, &
F_tau, &
@ -569,13 +572,10 @@ subroutine formResidual(in, FandF_tau, &
PetscInt :: &
PETScIter, &
nfuncs
PetscObject :: dummy
PetscErrorCode :: err_PETSc
integer(MPI_INTEGER_KIND) :: err_MPI
integer :: &
i, j, k, e
!---------------------------------------------------------------------------------------------------
F => FandF_tau(1:3,1:3,1,&
XG_RANGE,YG_RANGE,ZG_RANGE)
@ -612,17 +612,16 @@ subroutine formResidual(in, FandF_tau, &
!--------------------------------------------------------------------------------------------------
!
do k = 1, cells3; do j = 1, cells(2); do i = 1, cells(1)
tensorField_real(1:3,1:3,i,j,k) = &
r_F_tau(1:3,1:3,i,j,k) = &
num%beta*math_mul3333xx33(C_scale,F(1:3,1:3,i,j,k) - math_I3) -&
num%alpha*matmul(F(1:3,1:3,i,j,k), &
math_mul3333xx33(C_scale,F_tau(1:3,1:3,i,j,k) - F(1:3,1:3,i,j,k) - math_I3))
end do; end do; end do
call utilities_fourierGammaConvolution(params%rotation_BC%rotate(num%beta*F_aim,active=.true.))
!--------------------------------------------------------------------------------------------------
! constructing residual
r_F_tau = num%beta*F - tensorField_real(1:3,1:3,1:cells(1),1:cells(2),1:cells3)
r_F_tau = num%beta*F &
- utilities_fourierGammaConvolution(r_F_tau,params%rotation_BC%rotate(num%beta*F_aim,active=.true.))
!--------------------------------------------------------------------------------------------------
! evaluate constitutive response

20
src/grid/spectral_utilities.f90
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@ -42,7 +42,7 @@ module spectral_utilities
!--------------------------------------------------------------------------------------------------
! variables storing information for spectral method and FFTW
real(C_DOUBLE), public, dimension(:,:,:,:,:), pointer :: tensorField_real !< tensor field in real space
real(C_DOUBLE), dimension(:,:,:,:,:), pointer :: tensorField_real !< tensor field in real space
real(C_DOUBLE), public, dimension(:,:,:,:), pointer :: vectorField_real !< vector field in real space
real(C_DOUBLE), public, dimension(:,:,:), pointer :: scalarField_real !< scalar field in real space
complex(C_DOUBLE_COMPLEX), dimension(:,:,:,:,:), pointer :: tensorField_fourier !< tensor field in Fourier space
@ -505,12 +505,14 @@ end subroutine utilities_FFTvectorBackward
!--------------------------------------------------------------------------------------------------
!> @brief doing convolution gamma_hat * field_real, ensuring that average value = fieldAim
!--------------------------------------------------------------------------------------------------
subroutine utilities_fourierGammaConvolution(fieldAim)
function utilities_fourierGammaConvolution(field, fieldAim) result(gammaField)
real(pReal), intent(in), dimension(3,3,cells(1),cells(2),cells3) :: field
real(pReal), intent(in), dimension(3,3) :: fieldAim !< desired average value of the field after convolution
real(pReal), dimension(3,3,cells(1),cells(2),cells3) :: gammaField
complex(pReal), dimension(3,3) :: temp33_cmplx, xiDyad_cmplx
real(pReal), dimension(6,6) :: A, A_inv
integer :: &
i, j, k, &
l, m, n, o
@ -520,8 +522,11 @@ subroutine utilities_fourierGammaConvolution(fieldAim)
print'(/,1x,a)', '... doing gamma convolution ...............................................'
flush(IO_STDOUT)
call utilities_FFTtensorForward()
!--------------------------------------------------------------------------------------------------
tensorField_real(1:3,1:3,cells(1)+1:cells1Red*2,1:cells(2),1:cells3) = 0.0_pReal
tensorField_real(1:3,1:3,1:cells(1), 1:cells(2),1:cells3) = field
call fftw_mpi_execute_dft_r2c(planTensorForth,tensorField_real,tensorField_fourier)
!--------------------------------------------------------------------------------------------------
! do the actual spectral method calculation (mechanical equilibrium)
memoryEfficient: if (num%memory_efficient) then
!$OMP PARALLEL DO PRIVATE(l,m,n,o,temp33_cmplx,xiDyad_cmplx,A,A_inv,err,gamma_hat)
@ -582,9 +587,10 @@ subroutine utilities_fourierGammaConvolution(fieldAim)
end if memoryEfficient
if (cells3Offset == 0) tensorField_fourier(1:3,1:3,1,1,1) = cmplx(fieldAim/wgt,0.0_pReal,pReal)
call utilities_FFTtensorBackward()
call fftw_mpi_execute_dft_c2r(planTensorBack,tensorField_fourier,tensorField_real)
gammaField = tensorField_real(1:3,1:3,1:cells(1),1:cells(2),1:cells3)*wgt
end subroutine utilities_fourierGammaConvolution
end function utilities_fourierGammaConvolution
!--------------------------------------------------------------------------------------------------