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 2011-02-14 17:21:31 +00:00
parent cdeb786721
commit 438bf95105
5 changed files with 161 additions and 52 deletions

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@ -36,7 +36,7 @@ program mpie_spectral
implicit none
include 'fftw3.f' !header file for fftw3 (declaring variables). Library files are also needed
! compile FFTW 3.2.2 with ./configure --enable-threads
! variables to read from loadcase and geom file
real(pReal), dimension(9) :: valuevector ! stores information temporarily from loadcase file
integer(pInt), parameter :: maxNchunksInput = 24 ! 4 identifiers, 18 values for the matrices and 2 scalars
@ -233,6 +233,8 @@ program mpie_spectral
enddo
100 close(unit)
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
print '(a,/,i4,i4,i4)','resolution a b c', resolution
print '(a,/,f6.1,f6.1,f6.1)','dimension x y z', geomdimension
print *,'homogenization',homog
@ -305,7 +307,6 @@ program mpie_spectral
! Initialization of fftw (see manual on fftw.org for more details)
call dfftw_init_threads(ierr) !toDo: add error code
call dfftw_plan_with_nthreads(mpieNumThreadsInt)
! Do r2c/c2r Transform in one step
call dfftw_plan_many_dft_r2c(plan_fft(1),3,(/resolution(1),resolution(2),resolution(3)/),9,&
workfft,(/resolution(1) +2,resolution(2),resolution(3)/),1,(resolution(1) +2)*resolution(2)*resolution(3),&
workfft,(/resolution(1)/2+1,resolution(2),resolution(3)/),1,(resolution(1)/2+1)*resolution(2)*resolution(3),FFTW_PATIENT)

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@ -9,6 +9,7 @@
#f2py -m postprocessingMath -h postprocessingMath.pyf --overwrite-signature postprocessingMath.f90
# --f90flags="-heap-arrays 500000000" prevents segmentation fault for large arrays
# use ./configure --enable-portable-binary --enable-shared for the compilation of fftw3.2.2
f2py -c --f90flags="-heap-arrays 500000000" \
postprocessingMath.pyf postprocessingMath.f90
postprocessingMath.pyf postprocessingMath.f90 -L ./libfftw3.a

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@ -268,6 +268,8 @@ end function math_mul33x33
END SUBROUTINE math_spectral1
end module math
!subroutines below are for postprocessing with python
!+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
subroutine mesh(res_x,res_y,res_z,geomdim,defgrad_av,centroids,nodes)
!+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
@ -426,6 +428,133 @@ subroutine deformed(res_x,res_y,res_z,geomdim,defgrad,defgrad_av,coord_avgCorner
enddo; enddo; enddo
end subroutine deformed
!+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
subroutine deformed_fft(res_x,res_y,res_z,geomdim,defgrad,defgrad_av,scaling,coords)
!+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
implicit none
integer res_x, res_y, res_z
real*8 geomdim(3)
real*8 defgrad(res_x,res_y,res_z,3,3)
complex*16 defgrad_fft(res_x,res_y,res_z,3,3)
real*8 defgrad_av(3,3)
real*8 scaling
real*8 coords(res_x, res_y,res_z,3)
complex*16 coords_fft(res_x/2+1,res_y,res_z,3)
real*8 waves(res_x/2+1,res_y,res_z,3)
include 'fftw3.f' !header file for fftw3 (declaring variables). Library files are also needed
integer*8 :: plan_fft(2)
real*8, parameter :: pi = 3.14159265358979323846264338327950288419716939937510
real*8 zero
real*8 temp33_Real(3,3)
integer i, j, k, ierr
integer k_s(3)
real*8 step(3)
complex*16 img
img = cmplx(0.0,1.0)
do k = 1, res_z
k_s(3) = k-1
if(k > res_z/2+1) k_s(3) = k_s(3)-res_z
do j = 1, res_y
k_s(2) = j-1
if(j > res_y/2+1) k_s(2) = k_s(2)-res_y
do i = 1, res_x/2+1
k_s(1) = i-1
waves(i,j,k,:) = real(k_s)/geomdim
enddo; enddo; enddo
call dfftw_plan_many_dft(plan_fft(1),3,(/res_x,res_y,res_z/),9,&
defgrad_fft,(/res_x,res_y,res_z/),1,res_x*res_y*res_z,&
defgrad_fft,(/res_x,res_y,res_z/),1,res_x*res_y*res_z,FFTW_FORWARD,FFTW_PATIENT)
call dfftw_plan_many_dft_c2r(plan_fft(2),3,(/res_x,res_y,res_z/),3,&
coords_fft,(/res_x/2+1,res_y,res_z/),1,(res_x/2+1)*res_y*res_z,&
coords, (/res_x, res_y,res_z/),1, res_x* res_y*res_z,FFTW_PATIENT)
coords_fft=0.0
defgrad_fft = defgrad
call dfftw_execute_dft(plan_fft(1), defgrad_fft, defgrad_fft)
do k = 1, res_z; do j = 1, res_y; do i = 1, res_x/2+1
if(i/=1) then
coords_fft(i,j,k,1) = defgrad_fft(i,j,k,1,1)/(waves(i,j,k,1)*img)
coords_fft(i,j,k,2) = defgrad_fft(i,j,k,2,1)/(waves(i,j,k,1)*img)
coords_fft(i,j,k,3) = defgrad_fft(i,j,k,3,1)/(waves(i,j,k,1)*img)
endif
if(j/=1) then
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)
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)
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)
endif
if(k/=1) then
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)
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)
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)
endif
enddo; enddo; enddo
call dfftw_execute_dft_c2r(plan_fft(2), coords_fft, coords)
coords = coords/real(res_x*res_y*res_z)
do k = 1, res_z; do j = 1, res_y; do i = 1, res_x
coords(i,j,k,:) = coords(i,j,k,:)/(geomdim*2.0*pi)
enddo; enddo; enddo
step(1) = geomdim(1)/real(res_x)
step(2) = geomdim(2)/real(res_y)
step(3) = geomdim(3)/real(res_z)
temp33_Real(1,:) = matmul(defgrad_av,step/2.0) &
- matmul(defgrad_av,(/zero,zero,step(3)/)) ! start below origin
do k = 1, res_z; do j = 1, res_y; do i = 1, res_x
if((j==1).and.(i==1)) then
temp33_Real(1,:) = temp33_Real(1,:) + matmul(defgrad_av,&
(/zero,zero,step(3)/))
temp33_Real(2,:) = temp33_Real(1,:)
temp33_Real(3,:) = temp33_Real(1,:)
coords(i,j,k,:) = coords(i,j,k,:) + temp33_Real(1,:)
else
if(i==1) then
temp33_Real(2,:) = temp33_Real(2,:) + matmul(defgrad_av,&
(/zero,step(2),zero/))
temp33_Real(3,:) = temp33_Real(2,:)
coords(i,j,k,:) = coords(i,j,k,:) + temp33_Real(2,:)
else
temp33_Real(3,:) = temp33_Real(3,:) + matmul(defgrad_av,&
(/step(1),zero,zero/))
coords(i,j,k,:) = coords(i,j,k,:) + temp33_Real(3,:)
endif
endif
enddo; enddo; enddo
end subroutine deformed_fft
!+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
subroutine tensor_avg(res_x,res_y,res_z,tensor,avg)
!+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
implicit none
integer res_x, res_y, res_z
real*8 tensor(res_x,res_y,res_z,3,3)
real*8 avg(3,3)
real*8 wgt
integer m,n
wgt = 1/real(res_x*res_y*res_z)
do m = 1,3; do n = 1,3
avg(m,n) = sum(tensor(:,:,:,m,n)) * wgt
enddo; enddo
end subroutine tensor_avg
!+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
subroutine logstrain_spat(res_x,res_y,res_z,defgrad,logstrain_field)
!+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

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@ -3,50 +3,6 @@
python module postprocessingMath ! in
interface ! in :postprocessingMath
module math ! in :postprocessingMath:postprocessingMath.f90
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/))
real*8 parameter,optional :: pi=3.14159265359
function math_mul33x33(a,b) ! in :postprocessingMath:postprocessingMath.f90:math
real*8 dimension(3,3),intent(in) :: a
real*8 dimension(3,3),intent(in) :: b
real*8 dimension(3,3) :: math_mul33x33
end function math_mul33x33
subroutine math_invert3x3(a,inva,deta,error) ! in :postprocessingMath:postprocessingMath.f90:math
real*8 dimension(3,3),intent(in) :: a
real*8 dimension(3,3),intent(out) :: inva
real*8 intent(out) :: deta
logical intent(out) :: error
end subroutine math_invert3x3
function math_det3x3(m) ! in :postprocessingMath:postprocessingMath.f90:math
real*8 dimension(3,3),intent(in) :: m
real*8 :: math_det3x3
end function math_det3x3
subroutine math_pdecomposition(fe,u,r,error) ! in :postprocessingMath:postprocessingMath.f90:math
real*8 dimension(3,3),intent(in) :: fe
real*8 dimension(3,3),intent(out) :: u
real*8 dimension(3,3),intent(out) :: r
logical intent(out) :: error
end subroutine math_pdecomposition
function math_inv3x3(a) ! in :postprocessingMath:postprocessingMath.f90:math
real*8 dimension(3,3),intent(in) :: a
real*8 dimension(3,3) :: math_inv3x3
end function math_inv3x3
subroutine math_hi(m,hi1m,hi2m,hi3m) ! in :postprocessingMath:postprocessingMath.f90:math
real*8 dimension(3,3),intent(in) :: m
real*8 intent(out) :: hi1m
real*8 intent(out) :: hi2m
real*8 intent(out) :: hi3m
end subroutine math_hi
subroutine math_spectral1(m,ew1,ew2,ew3,eb1,eb2,eb3) ! in :postprocessingMath:postprocessingMath.f90:math
real*8 dimension(3,3),intent(in) :: m
real*8 intent(out) :: ew1
real*8 intent(out) :: ew2
real*8 intent(out) :: ew3
real*8 dimension(3,3),intent(out) :: eb1
real*8 dimension(3,3),intent(out) :: eb2
real*8 dimension(3,3),intent(out) :: eb3
end subroutine math_spectral1
end module math
subroutine mesh(res_x,res_y,res_z,geomdim,defgrad_av,centroids,nodes) ! in :postprocessingMath:postprocessingMath.f90
integer intent(in) :: res_x
integer intent(in) :: res_y
@ -68,6 +24,26 @@ python module postprocessingMath ! in
real*8 dimension(8,res_x,res_y,res_z,3),depend(res_x,res_y,res_z) :: coord_avgOrder
real*8 dimension(res_x,res_y,res_z,3,3),intent(in),depend(res_x,res_y,res_z) :: defgrad
end subroutine deformed
subroutine deformed_fft(res_x,res_y,res_z,geomdim,defgrad,defgrad_av,scaling,coords) ! in :postprocessingMath:postprocessingMath.f90
integer intent(in) :: res_x
integer intent(in) :: res_y
integer intent(in) :: res_z
real*8 intent(in) :: scaling
real*8 dimension(3),intent(in) :: geomdim
real*8 dimension(3,3),intent(in) :: defgrad_av
real*8 dimension(res_x,res_y,res_z,3),intent(out),depend(res_x,res_y,res_z) :: coords
complex*16 dimension(res_x/2+1,res_y,res_z,3),depend(res_x,res_y,res_z) :: coords_fft
real*8 dimension(res_x,res_y,res_z,3,3),intent(in),depend(res_x,res_y,res_z) :: defgrad
complex*16 dimension(res_x,res_y,res_z,3,3),depend(res_x,res_y,res_z) :: defgrad_fft
real*8 dimension(res_x/2+1,res_y,res_z,3),depend(res_x,res_y,res_z) :: waves
end subroutine deformed_fft
subroutine tensor_avg(res_x,res_y,res_z,tensor,avg) ! in :postprocessingMath:postprocessingMath.f90
integer intent(in) :: res_x
integer intent(in) :: res_y
integer intent(in) :: res_z
real*8 dimension(res_x,res_y,res_z,3,3),intent(in),depend(res_x,res_y,res_z) :: tensor
real*8 dimension(3,3),intent(out) :: avg
end subroutine tensor_avg
subroutine logstrain_mat(res_x,res_y,res_z,defgrad,logstrain_field) ! in :postprocessingMath:postprocessingMath.f90
integer intent(in) :: res_x
integer intent(in) :: res_y

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@ -341,11 +341,13 @@ for i in range(249,250):
p_stress = readTensor(p.resolution,p.file,p.N_element_scalars,c_pos,58)
c_stress = postprocessingMath.calculate_cauchy(res_x,res_y,res_z,defgrad,p_stress)
vm = postprocessingMath.calculate_mises(res_x,res_y,res_z,c_stress)
defgrad_av=numpy.average(numpy.average(numpy.average(defgrad,0),0),0)
defgrad_av = postprocessingMath.tensor_avg(res_x,res_y,res_z,defgrad)
centroids_coord = postprocessingMath.deformed(res_x,res_y,res_z,p.dimension,defgrad,defgrad_av)
centroids_coord2 = postprocessingMath.deformed_fft(res_x,res_y,res_z,p.dimension,defgrad,defgrad_av,1.0)
ms = postprocessingMath.mesh(p.resolution[0],p.resolution[1],p.resolution[2],p.dimension,defgrad_av,centroids_coord)
writeVtkAscii(name+'-mesh-1-%s.vtk'%i,ms,logstrain[:,:,:,1,2],p.resolution)
writeVtkAscii(name+'-mesh-2-%s.vtk'%i,ms,logstrain2[:,:,:,1,2],p.resolution)
ms2 = postprocessingMath.mesh(p.resolution[0],p.resolution[1],p.resolution[2],p.dimension,defgrad_av,centroids_coord2)
writeVtkAscii(name+'-mesh-usual-%s.vtk'%i,ms,logstrain[:,:,:,1,2],p.resolution)
writeVtkAscii(name+'-mesh-fft-%s.vtk'%i,ms2,logstrain[:,:,:,1,2],p.resolution)
#writeVtkAsciidefgrad_av(name+'-box-%i.vtk'%i,p.dimension,defgrad_av)
#writeVtkAsciiDots(name+'-points-%i.vtk'%i,centroids_coord,grain,p.resolution)
sys.stdout.flush()