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added P and dPdF for the call to cpfem_general, made some comments in the code, aligned some loops

This commit is contained in:
Martin Diehl 2010-07-07 09:10:54 +00:00
parent f9834bc612
commit 80016f8429
1 changed files with 84 additions and 109 deletions
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135
code/mpie_spectral.f90
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@ -250,8 +250,8 @@ program mpie_spectral
integer(pInt), dimension(:), allocatable :: bc_steps ! number of steps integer(pInt), dimension(:), allocatable :: bc_steps ! number of steps
logical, dimension(:,:,:,:), allocatable :: bc_mask ! mask logical, dimension(:,:,:,:), allocatable :: bc_mask ! mask
real(pReal) temperature real(pReal) temperature ! not used, but needed
real(pReal), dimension(6) :: stress real(pReal), dimension(6) :: stress !
real(pReal), dimension(6,6) :: dsde real(pReal), dimension(6,6) :: dsde
character(len=1024) path,line character(len=1024) path,line
@ -263,7 +263,7 @@ program mpie_spectral
integer(pInt), parameter :: maxNchunksMesh = 7 ! 4 identifiers, 3 values integer(pInt), parameter :: maxNchunksMesh = 7 ! 4 identifiers, 3 values
integer(pInt), dimension (1+2*maxNchunksMesh) :: posMesh integer(pInt), dimension (1+2*maxNchunksMesh) :: posMesh
real(pReal), dimension(9) :: valuevector real(pReal), dimension(9) :: valuevector ! stores information temporarily from loadcase file
integer(pInt) unit, N_l, N_s, N_t, N_n, N, i, j, k, l ! numbers of identifiers, loop variables integer(pInt) unit, N_l, N_s, N_t, N_n, N, i, j, k, l ! numbers of identifiers, loop variables
integer(pInt) e, homog integer(pInt) e, homog
@ -271,9 +271,11 @@ program mpie_spectral
integer(pInt), dimension(3) :: resolution integer(pInt), dimension(3) :: resolution
!------------------------- real(pReal), dimension (3,3) :: pstress ! Piola-Kirchhoff stress in Matrix notation
!begin RL real(pReal), dimension (3,3,3,3) :: dPdF !
!------------------------- real(pReal), dimension(3,3,3,3) :: c0,s0,g1
real(pReal), dimension(6,6) :: c066,s066
real(pReal), dimension(:), allocatable :: datafft real(pReal), dimension(:), allocatable :: datafft
real(pReal), dimension(:,:,:,:,:), allocatable :: workfft,workfftim,sg,disgrad,defgradold real(pReal), dimension(:,:,:,:,:), allocatable :: workfft,workfftim,sg,disgrad,defgradold
@ -289,21 +291,16 @@ program mpie_spectral
real(pReal), dimension(3) :: delt,xk real(pReal), dimension(3) :: delt,xk
real(pReal), dimension(6) :: aux6 real(pReal), dimension(6) :: aux6
real(pReal), dimension(3,3,3,3) :: c0,s0,g1
real(pReal), dimension(6,6) :: c066,s066
integer(pInt) prodnn,itmax, jload, ielem, ii, jj, k1, kxx, kyy, kzz, kx, ky, kz, idum, iter, imicro, m1, n1, p, q integer(pInt) prodnn,itmax, jload, ielem, ii, jj, k1, kxx, kyy, kzz, kx, ky, kz, idum, iter, imicro, m1, n1, p, q
real(pReal) wgt,error,tdot,erre,errs,evm,svm,det,xknorm, erraux, scaunorm real(pReal) wgt,error,tdot,erre,errs,evm,svm,det,xknorm, erraux, scaunorm
logical errmatinv logical errmatinv
!-------------------------
!end RL
!-------------------------
if (IargC() < 2) call IO_error(102) if (IargC() < 2) call IO_error(102) ! check for correct Nr. of arguments given
! Now reading the loadcase file and assigne the variables
path = getLoadcaseName() path = getLoadcaseName()
bc_maskvector = '' bc_maskvector = ''
unit = 234_pInt unit = 234_pInt
@ -396,7 +393,7 @@ program mpie_spectral
print *, '' print *, ''
enddo enddo
!read header of mesh file !read header of mesh file to get the information needed before the complete mesh file is intepretated by mesh.f90
resolution = 1_pInt resolution = 1_pInt
x = 1_pReal x = 1_pReal
y = 1_pReal y = 1_pReal
@ -454,9 +451,7 @@ program mpie_spectral
temperature = 300.0_pReal temperature = 300.0_pReal
!-------------------------
!begin RL
!-------------------------
allocate (datafft(2*resolution(1)*resolution(2)*resolution(3))) allocate (datafft(2*resolution(1)*resolution(2)*resolution(3)))
allocate (workfft(3,3,resolution(1),resolution(2),resolution(3))) allocate (workfft(3,3,resolution(1),resolution(2),resolution(3)))
allocate (workfftim(3,3,resolution(1),resolution(2),resolution(3))) allocate (workfftim(3,3,resolution(1),resolution(2),resolution(3)))
@ -485,7 +480,7 @@ program mpie_spectral
do ielem = 1, prodnn !call each element with identity (math_i3) to initialize with high stress do ielem = 1, prodnn !call each element with identity (math_i3) to initialize with high stress
!# !#
call CPFEM_general(2,math_I3,math_I3,temperature,0.0_pReal,ielem,1_pInt,stress,dsde) call CPFEM_general(2,math_I3,math_I3,temperature,0.0_pReal,ielem,1_pInt,stress,dsde, pstress, dPdF)
c066 = c066+dsde c066 = c066+dsde
c0 = c0+math_Mandel66to3333(dsde) c0 = c0+math_Mandel66to3333(dsde)
enddo enddo
@ -539,7 +534,7 @@ program mpie_spectral
disgrad(:,:,i,j,k) = disgradmacro(:,:) ! no fluctuations as guess disgrad(:,:,i,j,k) = disgradmacro(:,:) ! no fluctuations as guess
call CPFEM_general(3,defgradold(:,:,i,j,k),math_I3(:,:)+disgrad(:,:,i,j,k),& call CPFEM_general(3,defgradold(:,:,i,j,k),math_I3(:,:)+disgrad(:,:,i,j,k),&
temperature,0.0_pReal,ielem,1_pInt,& temperature,0.0_pReal,ielem,1_pInt,&
stress,dsde) stress,dsde, pstress, dPdF)
enddo enddo
enddo enddo
enddo enddo
@ -552,7 +547,7 @@ program mpie_spectral
ielem = ielem+1 ielem = ielem+1
call CPFEM_general(1,defgradold(:,:,i,j,k),math_i3(:,:)+disgrad(:,:,i,j,k),& call CPFEM_general(1,defgradold(:,:,i,j,k),math_i3(:,:)+disgrad(:,:,i,j,k),&
temperature,0.0_pReal,ielem,1_pInt,& temperature,0.0_pReal,ielem,1_pInt,&
stress,dsde) stress,dsde, pstress, dPdF)
sg(:,:,i,j,k) = math_Mandel6to33(stress) sg(:,:,i,j,k) = math_Mandel6to33(stress)
enddo enddo
enddo enddo
@ -624,32 +619,34 @@ program mpie_spectral
xk(3) = 0. xk(3) = 0.
endif endif
! if (any(xk /= 0.0_pReal) then if (any(xk /= 0.0_pReal)) then
! xknorm = 1.0_pReal/(xk(1)**2+xk(2)**2+xk(3)**2) xknorm = 1.0_pReal/(xk(1)**2+xk(2)**2+xk(3)**2)
! forall (i=1:3,j=1:3) xkdyad(i,j) = xknorm * xk(i)*xk(j) ! the dyad is always used anfd could speed up things by using element-wise multiplication plus summation of array forall (i=1:3,j=1:3) xkdyad(i,j) = xknorm * xk(i)*xk(j) ! the dyad is always used and could speed up things by using element-wise multiplication plus summation of array
! endif
xknorm = sqrt(xk(1)**2+xk(2)**2+xk(3)**2)
if (xknorm /= 0.0_pReal) then
do i = 1,3
!! xk2(i) = xk(i)/(xknorm*xknorm*2.*pi)
xk(i) = xk(i)/xknorm
enddo
endif endif
forall(i=1:3,k=1:3) aux33(i,k) = sum(c0(i,:,k,:)*xkdyad(:,:))
! forall(i=1:3,k=1:3) aux33(i,k) = sum(c0(i,:,k,:)*xkdyad(:,:)
! this is probably equiv with below quad looping !!!!!!!!! replace that by the stuff above, except from small rounding errors get the same results m.diehl
aux33 = 0.0_pReal ! xknorm = sqrt(xk(1)**2+xk(2)**2+xk(3)**2)
do i = 1,3 !
do k = 1,3 ! if (xknorm /= 0.0_pReal) then
do j = 1,3 ! do i = 1,3
do l = 1,3 ! ! xk2(i) = xk(i)/(xknorm*xknorm*2.*pi)
aux33(i,k) = aux33(i,k)+c0(i,j,k,l)*xk(j)*xk(l) ! xk(i) = xk(i)/xknorm
enddo ! enddo
enddo ! endif
enddo !
enddo ! aux33 = 0.0_pReal
! do i = 1,3
! do k = 1,3
! do j = 1,3
! do l = 1,3
! aux33(i,k) = aux33(i,k)+c0(i,j,k,l)*xk(j)*xk(l)
! enddo
! enddo
! enddo
! enddo
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
aux33 = math_inv3x3(aux33) aux33 = math_inv3x3(aux33)
! call minv(aux33,3,det,minv1,minv2) ! call minv(aux33,3,det,minv1,minv2)
@ -746,7 +743,7 @@ program mpie_spectral
ielem = ielem+1 ielem = ielem+1
call CPFEM_general(3,defgradold(:,:,i,j,k),math_i3(:,:)+disgrad(:,:,i,j,k),& call CPFEM_general(3,defgradold(:,:,i,j,k),math_i3(:,:)+disgrad(:,:,i,j,k),&
temperature,0.0_pReal,ielem,1_pInt,& temperature,0.0_pReal,ielem,1_pInt,&
stress,dsde) stress,dsde, pstress, dPdF)
enddo enddo
enddo enddo
@ -764,7 +761,7 @@ program mpie_spectral
ielem = ielem+1 ielem = ielem+1
call CPFEM_general(2,defgradold(:,:,i,j,k),math_i3(:,:)+disgrad(:,:,i,j,k),& call CPFEM_general(2,defgradold(:,:,i,j,k),math_i3(:,:)+disgrad(:,:,i,j,k),&
temperature,0.0_pReal,ielem,1_pInt,& temperature,0.0_pReal,ielem,1_pInt,&
stress,dsde) stress,dsde, pstress, dPdF)
!# !#
!# sg(:,:,i,j,k) = math_Mandel6to33(stress) !# sg(:,:,i,j,k) = math_Mandel6to33(stress)
!# scauav(:,:) = scauav(:,:)+sg(:,:,i,j,k) ! average stress !# scauav(:,:) = scauav(:,:)+sg(:,:,i,j,k) ! average stress
@ -841,9 +838,6 @@ program mpie_spectral
enddo ! IMICRO ENDDO enddo ! IMICRO ENDDO
enddo ! JLOAD ENDDO Ende looping over loadcases enddo ! JLOAD ENDDO Ende looping over loadcases
!-------------------------
!end RL
!-------------------------
end program mpie_spectral end program mpie_spectral
@ -861,7 +855,6 @@ subroutine quit(id)
end subroutine end subroutine
!******************************************************************** !********************************************************************
! fourn subroutine (fourier transform) ! fourn subroutine (fourier transform)
! FROM NUMERICAL RECIPES IN F77 (FIXED FORMAT), ! FROM NUMERICAL RECIPES IN F77 (FIXED FORMAT),
@ -881,24 +874,20 @@ subroutine fourn(data,nn,ndim,isign)
do idim = 1,ndim do idim = 1,ndim
ntot = ntot*nn(idim) ntot = ntot*nn(idim)
enddo enddo
!
nprev = 1 nprev = 1
! do 18 idim = 1,ndim
do idim = 1,ndim ! 18 do idim = 1,ndim
n = nn(idim) n = nn(idim)
nrem = ntot/(n*nprev) nrem = ntot/(n*nprev)
ip1 = 2*nprev ip1 = 2*nprev
ip2 = ip1*n ip2 = ip1*n
ip3 = ip2*nrem ip3 = ip2*nrem
i2rev = 1 i2rev = 1
! do 14 i2 = 1,ip2,ip1 do i2 = 1,ip2,ip1
do i2 = 1,ip2,ip1 ! 14
if(i2.lt.i2rev) then if(i2.lt.i2rev) then
do i1 = i2,i2+ip1-2,2
! do 13 i1 = i2,i2+ip1-2,2 do i3 = i1,ip3,ip2
! do 12 i3 = i1,ip3,ip2
do i1 = i2,i2+ip1-2,2 ! 13
do i3 = i1,ip3,ip2 ! 12
i3rev = i2rev+i3-i2 i3rev = i2rev+i3-i2
tempr = data(i3) tempr = data(i3)
tempi = data(i3+1) tempi = data(i3+1)
@ -906,37 +895,25 @@ subroutine fourn(data,nn,ndim,isign)
data(i3+1) = data(i3rev+1) data(i3+1) = data(i3rev+1)
data(i3rev) = tempr data(i3rev) = tempr
data(i3rev+1) = tempi data(i3rev+1) = tempi
enddo
!13 continue enddo
enddo ! 12
enddo ! 13
endif endif
ibit = ip2/2 ibit = ip2/2
do while ((ibit.ge.ip1).and.(i2rev.gt.ibit))
!1 if ((ibit.ge.ip1).and.(i2rev.gt.ibit)) then
do while ((ibit.ge.ip1).and.(i2rev.gt.ibit)) ! if 1
i2rev = i2rev-ibit i2rev = i2rev-ibit
ibit = ibit/2 ibit = ibit/2
! goto 1 enddo
! endif
enddo ! do while (if 1)
i2rev = i2rev+ibit i2rev = i2rev+ibit
!14 continue enddo
enddo ! 14
ifp1 = ip1 ifp1 = ip1
!2 if(ifp1.lt.ip2)then do while (ifp1.lt.ip2)
do while (ifp1.lt.ip2) ! if 2
ifp2 = 2*ifp1 ifp2 = 2*ifp1
theta = isign*6.28318530717959d0/(ifp2/ip1) theta = isign*6.28318530717959d0/(ifp2/ip1)
wpr = -2.d0*sin(0.5d0*theta)**2 wpr = -2.d0*sin(0.5d0*theta)**2
wpi = sin(theta) wpi = sin(theta)
wr = 1.d0 wr = 1.d0
wi = 0.d0 wi = 0.d0
! do 17 i3 = 1,ifp1,ip1
! do 16 i1 = i3,i3+ip1-2,2
! do 15 i2 = i1,ip3,ifp2
do i3 = 1,ifp1,ip1 ! 17 do i3 = 1,ifp1,ip1 ! 17
do i1 = i3,i3+ip1-2,2 ! 16 do i1 = i3,i3+ip1-2,2 ! 16
do i2 = i1,ip3,ifp2 ! 15 do i2 = i1,ip3,ifp2 ! 15
@ -949,8 +926,6 @@ subroutine fourn(data,nn,ndim,isign)
data(k2+1) = data(k1+1)-tempi data(k2+1) = data(k1+1)-tempi
data(k1) = data(k1)+tempr data(k1) = data(k1)+tempr
data(k1+1) = data(k1+1)+tempi data(k1+1) = data(k1+1)+tempi
!15 continue
!16 continue
enddo ! 15 enddo ! 15
enddo ! 16 enddo ! 16
wtemp = wr wtemp = wr