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DAMASK_EICMD
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initialization of arrays for fourier transform more reasonable 

- padding entries in real data array need to be zero
- all values of the fourier data arrays are explicitly set
This commit is contained in:
Martin Diehl 2019-10-29 16:18:58 +01:00
parent 1ae33cf215
commit 402e681cf5
1 changed files with 17 additions and 13 deletions
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26
src/grid/spectral_utilities.f90
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@ -428,10 +428,12 @@ end subroutine utilities_updateGamma
!--------------------------------------------------------------------------------------------------
!> @brief forward FFT of data in field_real to field_fourier
!> @details Does an unweighted FFT transform from real to complex
!> @details Does an unweighted FFT transform from real to complex. Extra padding entries are set
! to 0.0
!--------------------------------------------------------------------------------------------------
subroutine utilities_FFTtensorForward
tensorField_real(1:3,1:3,grid(1)+1:grid1Red*2,:,:) = cmplx(0.0,0.0,pReal)
call fftw_mpi_execute_dft_r2c(planTensorForth,tensorField_real,tensorField_fourier)
end subroutine utilities_FFTtensorForward
@ -450,10 +452,12 @@ end subroutine utilities_FFTtensorBackward
!--------------------------------------------------------------------------------------------------
!> @brief forward FFT of data in scalarField_real to scalarField_fourier
!> @details Does an unweighted FFT transform from real to complex
!> @details Does an unweighted FFT transform from real to complex. Extra padding entries are set
! to 0.0
!--------------------------------------------------------------------------------------------------
subroutine utilities_FFTscalarForward
scalarField_real(grid(1)+1:grid1Red*2,:,:) = cmplx(0.0,0.0,pReal)
call fftw_mpi_execute_dft_r2c(planScalarForth,scalarField_real,scalarField_fourier)
end subroutine utilities_FFTscalarForward
@ -473,10 +477,12 @@ end subroutine utilities_FFTscalarBackward
!--------------------------------------------------------------------------------------------------
!> @brief forward FFT of data in field_real to field_fourier with highest freqs. removed
!> @details Does an unweighted FFT transform from real to complex.
!> @details Does an unweighted FFT transform from real to complex. Extra padding entries are set
! to 0.0
!--------------------------------------------------------------------------------------------------
subroutine utilities_FFTvectorForward
vectorField_real(1:3,grid(1)+1:grid1Red*2,:,:) = cmplx(0.0,0.0,pReal)
call fftw_mpi_execute_dft_r2c(planVectorForth,vectorField_real,vectorField_fourier)
end subroutine utilities_FFTvectorForward
@ -773,7 +779,6 @@ subroutine utilities_fourierScalarGradient()
integer :: i, j, k
vectorField_fourier = cmplx(0.0_pReal,0.0_pReal,pReal) ! ToDo check padding and set only affected values to zero
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid1Red
vectorField_fourier(1:3,i,j,k) = scalarField_fourier(i,j,k)*xi1st(1:3,i,j,k) ! ToDo: no -conjg?
enddo; enddo; enddo
@ -788,7 +793,6 @@ subroutine utilities_fourierVectorDivergence()
integer :: i, j, k
scalarField_fourier = cmplx(0.0_pReal,0.0_pReal,pReal) ! ToDo check padding and set only affected values to zero
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid1Red
scalarField_fourier(i,j,k) = sum(vectorField_fourier(1:3,i,j,k)*conjg(-xi1st(1:3,i,j,k)))
enddo; enddo; enddo
@ -803,7 +807,6 @@ subroutine utilities_fourierVectorGradient()
integer :: i, j, k, m, n
tensorField_fourier = cmplx(0.0_pReal,0.0_pReal,pReal) ! ToDo check padding and set only affected values to zero
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid1Red
do m = 1, 3; do n = 1, 3
tensorField_fourier(m,n,i,j,k) = vectorField_fourier(m,i,j,k)*xi1st(n,i,j,k)
@ -820,7 +823,6 @@ subroutine utilities_fourierTensorDivergence()
integer :: i, j, k
vectorField_fourier = cmplx(0.0_pReal,0.0_pReal,pReal) ! ToDo check padding and set only affected values to zero
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid1Red
vectorField_fourier(:,i,j,k) = matmul(tensorField_fourier(:,:,i,j,k),conjg(-xi1st(:,i,j,k)))
enddo; enddo; enddo
@ -1043,16 +1045,18 @@ subroutine utilities_updateCoords(F)
step = geomSize/real(grid, pReal)
!--------------------------------------------------------------------------------------------------
! integration in Fourier space to get fluctuations of cell center discplacements
tensorField_real = 0.0_pReal
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = F ! ToDo check padding and set only affected values to zero
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = F
call utilities_FFTtensorForward()
vectorField_fourier = cmplx(0.0,0.0,pReal) ! ToDo check padding and set only affected values to zero
do k = 1, grid3; do j = 1, grid(2); do i = 1, grid1Red
if(any([i,j,k+grid3Offset] /= 1)) &
if(any([i,j,k+grid3Offset] /= 1)) then
vectorField_fourier(1:3,i,j,k) = matmul(tensorField_fourier(1:3,1:3,i,j,k),xi2nd(1:3,i,j,k)) &
/ sum(conjg(-xi2nd(1:3,i,j,k))*xi2nd(1:3,i,j,k)) * wgt
else
vectorField_fourier(1:3,i,j,k) = cmplx(0.0,0.0,pReal)
endif
enddo; enddo; enddo
call fftw_mpi_execute_dft_c2r(planVectorBack,vectorField_fourier,vectorField_real)
!--------------------------------------------------------------------------------------------------