added ft-based reconstruction of deformed configuration to postprocessingMath.f90 and postprocessingMath.pyf
also added function to calculate average of tensor some polishing in mpie_spectral.f90, added sanity check to see im resolution is power of 2
This commit is contained in:
Martin Diehl
parent
cdeb786721
commit
438bf95105
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@ -36,7 +36,7 @@ program mpie_spectral
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implicit none
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include 'fftw3.f' !header file for fftw3 (declaring variables). Library files are also needed
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! compile FFTW 3.2.2 with ./configure --enable-threads
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! variables to read from loadcase and geom file
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real(pReal), dimension(9) :: valuevector ! stores information temporarily from loadcase file
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integer(pInt), parameter :: maxNchunksInput = 24 ! 4 identifiers, 18 values for the matrices and 2 scalars
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@ -232,7 +232,9 @@ program mpie_spectral
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if (gotDimension .and. gotHomogenization .and. gotResolution) exit
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enddo
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100 close(unit)
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if(mod(resolution(1),2)/=0 .or. mod(resolution(2),2)/=0 .or. mod(resolution(3),2)/=0) call IO_error(102) !!ToDo: add correct error to IO
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print '(a,/,i4,i4,i4)','resolution a b c', resolution
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print '(a,/,f6.1,f6.1,f6.1)','dimension x y z', geomdimension
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print *,'homogenization',homog
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@ -305,7 +307,6 @@ program mpie_spectral
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! Initialization of fftw (see manual on fftw.org for more details)
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call dfftw_init_threads(ierr) !toDo: add error code
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call dfftw_plan_with_nthreads(mpieNumThreadsInt)
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! Do r2c/c2r Transform in one step
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call dfftw_plan_many_dft_r2c(plan_fft(1),3,(/resolution(1),resolution(2),resolution(3)/),9,&
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workfft,(/resolution(1) +2,resolution(2),resolution(3)/),1,(resolution(1) +2)*resolution(2)*resolution(3),&
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workfft,(/resolution(1)/2+1,resolution(2),resolution(3)/),1,(resolution(1)/2+1)*resolution(2)*resolution(3),FFTW_PATIENT)
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@ -5,10 +5,11 @@
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# module postprocessingMath.so out of the fortran code postprocessingMath.f90
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# written by M. Diehl, m.diehl@mpie.de
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#for the generation of the pyf file.
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#for the generation of the pyf file.
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#f2py -m postprocessingMath -h postprocessingMath.pyf --overwrite-signature postprocessingMath.f90
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# --f90flags="-heap-arrays 500000000" prevents segmentation fault for large arrays
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# use ./configure --enable-portable-binary --enable-shared for the compilation of fftw3.2.2
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f2py -c --f90flags="-heap-arrays 500000000" \
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postprocessingMath.pyf postprocessingMath.f90
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postprocessingMath.pyf postprocessingMath.f90 -L ./libfftw3.a
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@ -268,6 +268,8 @@ end function math_mul33x33
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END SUBROUTINE math_spectral1
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end module math
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!subroutines below are for postprocessing with python
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!+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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subroutine mesh(res_x,res_y,res_z,geomdim,defgrad_av,centroids,nodes)
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!+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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@ -426,6 +428,133 @@ subroutine deformed(res_x,res_y,res_z,geomdim,defgrad,defgrad_av,coord_avgCorner
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enddo; enddo; enddo
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end subroutine deformed
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!+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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subroutine deformed_fft(res_x,res_y,res_z,geomdim,defgrad,defgrad_av,scaling,coords)
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!+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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implicit none
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integer res_x, res_y, res_z
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real*8 geomdim(3)
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real*8 defgrad(res_x,res_y,res_z,3,3)
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complex*16 defgrad_fft(res_x,res_y,res_z,3,3)
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real*8 defgrad_av(3,3)
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real*8 scaling
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real*8 coords(res_x, res_y,res_z,3)
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complex*16 coords_fft(res_x/2+1,res_y,res_z,3)
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real*8 waves(res_x/2+1,res_y,res_z,3)
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include 'fftw3.f' !header file for fftw3 (declaring variables). Library files are also needed
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integer*8 :: plan_fft(2)
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real*8, parameter :: pi = 3.14159265358979323846264338327950288419716939937510
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real*8 zero
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real*8 temp33_Real(3,3)
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integer i, j, k, ierr
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integer k_s(3)
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real*8 step(3)
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complex*16 img
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img = cmplx(0.0,1.0)
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do k = 1, res_z
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k_s(3) = k-1
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if(k > res_z/2+1) k_s(3) = k_s(3)-res_z
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do j = 1, res_y
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k_s(2) = j-1
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if(j > res_y/2+1) k_s(2) = k_s(2)-res_y
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do i = 1, res_x/2+1
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k_s(1) = i-1
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waves(i,j,k,:) = real(k_s)/geomdim
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enddo; enddo; enddo
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call dfftw_plan_many_dft(plan_fft(1),3,(/res_x,res_y,res_z/),9,&
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defgrad_fft,(/res_x,res_y,res_z/),1,res_x*res_y*res_z,&
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defgrad_fft,(/res_x,res_y,res_z/),1,res_x*res_y*res_z,FFTW_FORWARD,FFTW_PATIENT)
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call dfftw_plan_many_dft_c2r(plan_fft(2),3,(/res_x,res_y,res_z/),3,&
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coords_fft,(/res_x/2+1,res_y,res_z/),1,(res_x/2+1)*res_y*res_z,&
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coords, (/res_x, res_y,res_z/),1, res_x* res_y*res_z,FFTW_PATIENT)
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coords_fft=0.0
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defgrad_fft = defgrad
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call dfftw_execute_dft(plan_fft(1), defgrad_fft, defgrad_fft)
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do k = 1, res_z; do j = 1, res_y; do i = 1, res_x/2+1
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if(i/=1) then
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coords_fft(i,j,k,1) = defgrad_fft(i,j,k,1,1)/(waves(i,j,k,1)*img)
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coords_fft(i,j,k,2) = defgrad_fft(i,j,k,2,1)/(waves(i,j,k,1)*img)
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coords_fft(i,j,k,3) = defgrad_fft(i,j,k,3,1)/(waves(i,j,k,1)*img)
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endif
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if(j/=1) then
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coords_fft(i,j,k,1) = coords_fft(i,j,k,1) + defgrad_fft(i,j,k,1,2)/(waves(i,j,k,2)*img)
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coords_fft(i,j,k,2) = coords_fft(i,j,k,2) + defgrad_fft(i,j,k,2,2)/(waves(i,j,k,2)*img)
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coords_fft(i,j,k,3) = coords_fft(i,j,k,3) + defgrad_fft(i,j,k,3,2)/(waves(i,j,k,2)*img)
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endif
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if(k/=1) then
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coords_fft(i,j,k,1) = coords_fft(i,j,k,1) + defgrad_fft(i,j,k,1,3)/(waves(i,j,k,3)*img)
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coords_fft(i,j,k,2) = coords_fft(i,j,k,2) + defgrad_fft(i,j,k,2,3)/(waves(i,j,k,3)*img)
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coords_fft(i,j,k,3) = coords_fft(i,j,k,3) + defgrad_fft(i,j,k,3,3)/(waves(i,j,k,3)*img)
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endif
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enddo; enddo; enddo
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call dfftw_execute_dft_c2r(plan_fft(2), coords_fft, coords)
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coords = coords/real(res_x*res_y*res_z)
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do k = 1, res_z; do j = 1, res_y; do i = 1, res_x
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coords(i,j,k,:) = coords(i,j,k,:)/(geomdim*2.0*pi)
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enddo; enddo; enddo
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step(1) = geomdim(1)/real(res_x)
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step(2) = geomdim(2)/real(res_y)
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step(3) = geomdim(3)/real(res_z)
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temp33_Real(1,:) = matmul(defgrad_av,step/2.0) &
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- matmul(defgrad_av,(/zero,zero,step(3)/)) ! start below origin
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do k = 1, res_z; do j = 1, res_y; do i = 1, res_x
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if((j==1).and.(i==1)) then
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temp33_Real(1,:) = temp33_Real(1,:) + matmul(defgrad_av,&
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(/zero,zero,step(3)/))
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temp33_Real(2,:) = temp33_Real(1,:)
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temp33_Real(3,:) = temp33_Real(1,:)
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coords(i,j,k,:) = coords(i,j,k,:) + temp33_Real(1,:)
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else
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if(i==1) then
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temp33_Real(2,:) = temp33_Real(2,:) + matmul(defgrad_av,&
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(/zero,step(2),zero/))
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temp33_Real(3,:) = temp33_Real(2,:)
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coords(i,j,k,:) = coords(i,j,k,:) + temp33_Real(2,:)
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else
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temp33_Real(3,:) = temp33_Real(3,:) + matmul(defgrad_av,&
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(/step(1),zero,zero/))
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coords(i,j,k,:) = coords(i,j,k,:) + temp33_Real(3,:)
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endif
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endif
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enddo; enddo; enddo
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end subroutine deformed_fft
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!+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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subroutine tensor_avg(res_x,res_y,res_z,tensor,avg)
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!+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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implicit none
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integer res_x, res_y, res_z
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real*8 tensor(res_x,res_y,res_z,3,3)
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real*8 avg(3,3)
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real*8 wgt
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integer m,n
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wgt = 1/real(res_x*res_y*res_z)
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do m = 1,3; do n = 1,3
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avg(m,n) = sum(tensor(:,:,:,m,n)) * wgt
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enddo; enddo
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end subroutine tensor_avg
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!+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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subroutine logstrain_spat(res_x,res_y,res_z,defgrad,logstrain_field)
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!+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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@ -3,50 +3,6 @@
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python module postprocessingMath ! in
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interface ! in :postprocessingMath
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module math ! in :postprocessingMath:postprocessingMath.f90
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real*8 parameter,optional,dimension(3,3) :: math_i3=reshape((/1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,1.0/),(/3,3/))
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real*8 parameter,optional :: pi=3.14159265359
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function math_mul33x33(a,b) ! in :postprocessingMath:postprocessingMath.f90:math
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real*8 dimension(3,3),intent(in) :: a
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real*8 dimension(3,3),intent(in) :: b
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real*8 dimension(3,3) :: math_mul33x33
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end function math_mul33x33
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subroutine math_invert3x3(a,inva,deta,error) ! in :postprocessingMath:postprocessingMath.f90:math
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real*8 dimension(3,3),intent(in) :: a
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real*8 dimension(3,3),intent(out) :: inva
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real*8 intent(out) :: deta
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logical intent(out) :: error
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end subroutine math_invert3x3
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function math_det3x3(m) ! in :postprocessingMath:postprocessingMath.f90:math
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real*8 dimension(3,3),intent(in) :: m
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real*8 :: math_det3x3
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end function math_det3x3
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subroutine math_pdecomposition(fe,u,r,error) ! in :postprocessingMath:postprocessingMath.f90:math
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real*8 dimension(3,3),intent(in) :: fe
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real*8 dimension(3,3),intent(out) :: u
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real*8 dimension(3,3),intent(out) :: r
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logical intent(out) :: error
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end subroutine math_pdecomposition
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function math_inv3x3(a) ! in :postprocessingMath:postprocessingMath.f90:math
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real*8 dimension(3,3),intent(in) :: a
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real*8 dimension(3,3) :: math_inv3x3
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end function math_inv3x3
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subroutine math_hi(m,hi1m,hi2m,hi3m) ! in :postprocessingMath:postprocessingMath.f90:math
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real*8 dimension(3,3),intent(in) :: m
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real*8 intent(out) :: hi1m
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real*8 intent(out) :: hi2m
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real*8 intent(out) :: hi3m
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end subroutine math_hi
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subroutine math_spectral1(m,ew1,ew2,ew3,eb1,eb2,eb3) ! in :postprocessingMath:postprocessingMath.f90:math
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real*8 dimension(3,3),intent(in) :: m
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real*8 intent(out) :: ew1
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real*8 intent(out) :: ew2
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real*8 intent(out) :: ew3
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real*8 dimension(3,3),intent(out) :: eb1
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real*8 dimension(3,3),intent(out) :: eb2
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real*8 dimension(3,3),intent(out) :: eb3
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end subroutine math_spectral1
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end module math
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subroutine mesh(res_x,res_y,res_z,geomdim,defgrad_av,centroids,nodes) ! in :postprocessingMath:postprocessingMath.f90
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integer intent(in) :: res_x
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integer intent(in) :: res_y
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@ -68,6 +24,26 @@ python module postprocessingMath ! in
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real*8 dimension(8,res_x,res_y,res_z,3),depend(res_x,res_y,res_z) :: coord_avgOrder
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real*8 dimension(res_x,res_y,res_z,3,3),intent(in),depend(res_x,res_y,res_z) :: defgrad
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end subroutine deformed
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subroutine deformed_fft(res_x,res_y,res_z,geomdim,defgrad,defgrad_av,scaling,coords) ! in :postprocessingMath:postprocessingMath.f90
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integer intent(in) :: res_x
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integer intent(in) :: res_y
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integer intent(in) :: res_z
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real*8 intent(in) :: scaling
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real*8 dimension(3),intent(in) :: geomdim
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real*8 dimension(3,3),intent(in) :: defgrad_av
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real*8 dimension(res_x,res_y,res_z,3),intent(out),depend(res_x,res_y,res_z) :: coords
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complex*16 dimension(res_x/2+1,res_y,res_z,3),depend(res_x,res_y,res_z) :: coords_fft
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real*8 dimension(res_x,res_y,res_z,3,3),intent(in),depend(res_x,res_y,res_z) :: defgrad
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complex*16 dimension(res_x,res_y,res_z,3,3),depend(res_x,res_y,res_z) :: defgrad_fft
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real*8 dimension(res_x/2+1,res_y,res_z,3),depend(res_x,res_y,res_z) :: waves
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end subroutine deformed_fft
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subroutine tensor_avg(res_x,res_y,res_z,tensor,avg) ! in :postprocessingMath:postprocessingMath.f90
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integer intent(in) :: res_x
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integer intent(in) :: res_y
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integer intent(in) :: res_z
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real*8 dimension(res_x,res_y,res_z,3,3),intent(in),depend(res_x,res_y,res_z) :: tensor
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real*8 dimension(3,3),intent(out) :: avg
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end subroutine tensor_avg
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subroutine logstrain_mat(res_x,res_y,res_z,defgrad,logstrain_field) ! in :postprocessingMath:postprocessingMath.f90
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integer intent(in) :: res_x
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integer intent(in) :: res_y
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@ -341,11 +341,13 @@ for i in range(249,250):
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p_stress = readTensor(p.resolution,p.file,p.N_element_scalars,c_pos,58)
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c_stress = postprocessingMath.calculate_cauchy(res_x,res_y,res_z,defgrad,p_stress)
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vm = postprocessingMath.calculate_mises(res_x,res_y,res_z,c_stress)
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defgrad_av=numpy.average(numpy.average(numpy.average(defgrad,0),0),0)
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defgrad_av = postprocessingMath.tensor_avg(res_x,res_y,res_z,defgrad)
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centroids_coord = postprocessingMath.deformed(res_x,res_y,res_z,p.dimension,defgrad,defgrad_av)
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centroids_coord2 = postprocessingMath.deformed_fft(res_x,res_y,res_z,p.dimension,defgrad,defgrad_av,1.0)
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ms = postprocessingMath.mesh(p.resolution[0],p.resolution[1],p.resolution[2],p.dimension,defgrad_av,centroids_coord)
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writeVtkAscii(name+'-mesh-1-%s.vtk'%i,ms,logstrain[:,:,:,1,2],p.resolution)
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writeVtkAscii(name+'-mesh-2-%s.vtk'%i,ms,logstrain2[:,:,:,1,2],p.resolution)
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ms2 = postprocessingMath.mesh(p.resolution[0],p.resolution[1],p.resolution[2],p.dimension,defgrad_av,centroids_coord2)
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writeVtkAscii(name+'-mesh-usual-%s.vtk'%i,ms,logstrain[:,:,:,1,2],p.resolution)
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writeVtkAscii(name+'-mesh-fft-%s.vtk'%i,ms2,logstrain[:,:,:,1,2],p.resolution)
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#writeVtkAsciidefgrad_av(name+'-box-%i.vtk'%i,p.dimension,defgrad_av)
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#writeVtkAsciiDots(name+'-points-%i.vtk'%i,centroids_coord,grain,p.resolution)
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sys.stdout.flush()
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