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centralize FFTs

This commit is contained in:
Martin Diehl 2022-11-19 09:25:06 +01:00
parent cd2a21509a
commit 18b8923929
5 changed files with 25 additions and 39 deletions
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19
src/grid/grid_damage_spectral.f90
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@ -253,11 +253,13 @@ end function grid_damage_spectral_solution
subroutine grid_damage_spectral_forward(cutBack)
logical, intent(in) :: cutBack
integer :: i, j, k, ce
DM :: dm_local
PetscScalar, dimension(:,:,:), pointer :: phi_PETSc
PetscErrorCode :: err_PETSc
if (cutBack) then
phi_current = phi_lastInc
phi_stagInc = phi_lastInc
@ -284,7 +286,7 @@ end subroutine grid_damage_spectral_forward
!--------------------------------------------------------------------------------------------------
!> @brief forms the spectral damage residual vector
!> @brief Construct the residual vector.
!--------------------------------------------------------------------------------------------------
subroutine formResidual(in,x_scal,r,dummy,err_PETSc)
@ -297,7 +299,8 @@ subroutine formResidual(in,x_scal,r,dummy,err_PETSc)
X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
r
PetscObject :: dummy
PetscErrorCode :: err_PETSc
PetscErrorCode, intent(out) :: err_PETSc
integer :: i, j, k, ce
@ -305,17 +308,13 @@ subroutine formResidual(in,x_scal,r,dummy,err_PETSc)
!--------------------------------------------------------------------------------------------------
! evaluate polarization field
scalarField_real(1:cells(1),1:cells(2),1:cells3) = phi_current
call utilities_FFTscalarForward
call utilities_fourierScalarGradient !< calculate gradient of damage field
call utilities_FFTvectorBackward
call utilities_fourierScalarGradient()
ce = 0
do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1)
ce = ce + 1
vectorField_real(1:3,i,j,k) = matmul(homogenization_K_phi(ce) - K_ref, vectorField_real(1:3,i,j,k))
end do; end do; end do
call utilities_FFTvectorForward
call utilities_fourierVectorDivergence !< calculate damage divergence in fourier field
call utilities_FFTscalarBackward
call utilities_fourierVectorDivergence()
ce = 0
do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1)
ce = ce + 1
@ -324,11 +323,7 @@ subroutine formResidual(in,x_scal,r,dummy,err_PETSc)
+ mu_ref*phi_current(i,j,k)
end do; end do; end do
!--------------------------------------------------------------------------------------------------
! convolution of damage field with green operator
call utilities_FFTscalarForward
call utilities_fourierGreenConvolution(K_ref, mu_ref, params%Delta_t)
call utilities_FFTscalarBackward
!--------------------------------------------------------------------------------------------------
! constructing residual

4
src/grid/grid_mech_spectral_basic.f90
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@ -544,12 +544,8 @@ subroutine formResidual(in, F, &
F_aim = F_aim - deltaF_aim
err_BC = maxval(abs(merge(.0_pReal,P_av - P_aim,params%stress_mask)))
!--------------------------------------------------------------------------------------------------
! updated deformation gradient using fix point algorithm of basic scheme
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_FFTtensorForward ! FFT forward of global "tensorField_real"
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

4
src/grid/grid_mech_spectral_polarisation.f90
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@ -618,11 +618,7 @@ subroutine formResidual(in, FandF_tau, &
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
!--------------------------------------------------------------------------------------------------
! doing convolution in Fourier space
call utilities_FFTtensorForward
call utilities_fourierGammaConvolution(params%rotation_BC%rotate(num%beta*F_aim,active=.true.))
call utilities_FFTtensorBackward
!--------------------------------------------------------------------------------------------------
! constructing residual

23
src/grid/grid_thermal_spectral.f90
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@ -242,11 +242,13 @@ end function grid_thermal_spectral_solution
subroutine grid_thermal_spectral_forward(cutBack)
logical, intent(in) :: cutBack
integer :: i, j, k, ce
DM :: dm_local
PetscScalar, dimension(:,:,:), pointer :: T_PETSc
PetscErrorCode :: err_PETSc
if (cutBack) then
T_current = T_lastInc
T_stagInc = T_lastInc
@ -307,7 +309,7 @@ end subroutine grid_thermal_spectral_restartWrite
!--------------------------------------------------------------------------------------------------
!> @brief forms the spectral thermal residual vector
!> @brief Construct the residual vector.
!--------------------------------------------------------------------------------------------------
subroutine formResidual(in,x_scal,r,dummy,err_PETSc)
@ -320,24 +322,22 @@ subroutine formResidual(in,x_scal,r,dummy,err_PETSc)
X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
r
PetscObject :: dummy
PetscErrorCode :: err_PETSc
PetscErrorCode, intent(out) :: err_PETSc
integer :: i, j, k, ce
T_current = x_scal
!--------------------------------------------------------------------------------------------------
! evaluate polarization field
scalarField_real(1:cells(1),1:cells(2),1:cells3) = T_current
call utilities_FFTscalarForward
call utilities_fourierScalarGradient !< calculate gradient of temperature field
call utilities_FFTvectorBackward
call utilities_fourierScalarGradient()
ce = 0
do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1)
ce = ce + 1
vectorField_real(1:3,i,j,k) = matmul(homogenization_K_T(ce) - K_ref, vectorField_real(1:3,i,j,k))
end do; end do; end do
call utilities_FFTvectorForward
call utilities_fourierVectorDivergence !< calculate temperature divergence in fourier field
call utilities_FFTscalarBackward
call utilities_fourierVectorDivergence()
ce = 0
do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1)
ce = ce + 1
@ -346,15 +346,12 @@ subroutine formResidual(in,x_scal,r,dummy,err_PETSc)
+ mu_ref*T_current(i,j,k)
end do; end do; end do
!--------------------------------------------------------------------------------------------------
! convolution of temperature field with green operator
call utilities_FFTscalarForward
call utilities_fourierGreenConvolution(K_ref, mu_ref, params%Delta_t)
call utilities_FFTscalarBackward
!--------------------------------------------------------------------------------------------------
! constructing residual
r = T_current - scalarField_real(1:cells(1),1:cells(2),1:cells3)
r = T_current &
- scalarField_real(1:cells(1),1:cells(2),1:cells3)
err_PETSc = 0
end subroutine formResidual

14
src/grid/spectral_utilities.f90
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@ -116,12 +116,6 @@ module spectral_utilities
public :: &
spectral_utilities_init, &
utilities_updateGamma, &
utilities_FFTtensorForward, &
utilities_FFTtensorBackward, &
utilities_FFTvectorForward, &
utilities_FFTvectorBackward, &
utilities_FFTscalarForward, &
utilities_FFTscalarBackward, &
utilities_fourierGammaConvolution, &
utilities_fourierGreenConvolution, &
utilities_divergenceRMS, &
@ -526,6 +520,7 @@ subroutine utilities_fourierGammaConvolution(fieldAim)
print'(/,1x,a)', '... doing gamma convolution ...............................................'
flush(IO_STDOUT)
call utilities_FFTtensorForward()
!--------------------------------------------------------------------------------------------------
! do the actual spectral method calculation (mechanical equilibrium)
memoryEfficient: if (num%memory_efficient) then
@ -587,6 +582,7 @@ 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()
end subroutine utilities_fourierGammaConvolution
@ -603,6 +599,7 @@ subroutine utilities_fourierGreenConvolution(D_ref, mu_ref, Delta_t)
!--------------------------------------------------------------------------------------------------
! do the actual spectral method calculation
call utilities_FFTscalarForward()
!$OMP PARALLEL DO PRIVATE(GreenOp_hat)
do j = 1, cells2; do k = 1, cells(3); do i = 1, cells1Red
GreenOp_hat = cmplx(1.0_pReal,0.0_pReal,pReal) &
@ -611,6 +608,7 @@ subroutine utilities_fourierGreenConvolution(D_ref, mu_ref, Delta_t)
scalarField_fourier(i,k,j) = scalarField_fourier(i,k,j)*GreenOp_hat
end do; end do; end do
!$OMP END PARALLEL DO
call utilities_FFTscalarBackward()
end subroutine utilities_fourierGreenConvolution
@ -810,9 +808,11 @@ subroutine utilities_fourierScalarGradient()
integer :: i, j, k
call utilities_FFTscalarForward()
do j = 1, cells2; do k = 1, cells(3); do i = 1,cells1Red
vectorField_fourier(1:3,i,k,j) = scalarField_fourier(i,k,j)*xi1st(1:3,i,k,j) ! ToDo: no -conjg?
end do; end do; end do
call utilities_FFTvectorBackward()
end subroutine utilities_fourierScalarGradient
@ -822,8 +822,10 @@ end subroutine utilities_fourierScalarGradient
!--------------------------------------------------------------------------------------------------
subroutine utilities_fourierVectorDivergence()
call utilities_FFTvectorForward()
scalarField_fourier(1:cells1Red,1:cells(3),1:cells2) = sum(vectorField_fourier(1:3,1:cells1Red,1:cells(3),1:cells2) &
*conjg(-xi1st),1)
call utilities_FFTscalarBackward()
end subroutine utilities_fourierVectorDivergence