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DAMASK_EICMD
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started suggestions for F77 --> F90 style 

xkdyad useful..?

looking for error calculation (Ricardo to rescue here)
This commit is contained in:
Philip Eisenlohr 2010-07-02 17:15:53 +00:00
parent d6ba9d54b6
commit 4f76eada31
1 changed files with 55 additions and 70 deletions
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125
code/mpie_spectral.f90
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@ -282,7 +282,7 @@ program mpie_spectral
real(pReal), dimension(3,3) :: disgradmacro,disgradmacroactual
real(pReal), dimension(3,3) :: ddisgradmacro,ddisgradmacroacum,ddisgrad,ddisgradim
real(pReal), dimension(3,3) :: defgrad0,defgrad
real(pReal), dimension(3,3) :: udot,scauchy,scauav,aux33
real(pReal), dimension(3,3) :: udot,scauchy,scauav,aux33,xkdyad
integer(pInt), dimension(3) :: nn
integer(pInt), dimension(2) :: nn2
@ -495,6 +495,10 @@ program mpie_spectral
do ielem = 1, prodnn !call each element with identity (math_i3) to initialize with high stress
call CPFEM_general(3,math_i3,math_i3,temperature,0.0_pReal,ielem,1_pInt,stress,dsde)
enddo
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)
c066 = c066+dsde
c0 = c0+math_Mandel66to3333(dsde)
enddo
@ -513,15 +517,8 @@ program mpie_spectral
! INITIALIZATION BEFORE STARTING WITH LOADINGS
disgradmacro = 0.
do k = 1, c
do j = 1, b
do i = 1, a
defgradold(:,:,i,j,k) = math_i3(:,:)
enddo
enddo
enddo
disgrad = 0.0_pReal
disgradmacro = 0.0_pReal
do jload = 1,N !Loop over loadcases defined in the loadcase file
udot(:,:) = bc_velocityGrad(:,:,jload)
@ -551,41 +548,39 @@ program mpie_spectral
do j = 1, b
do i = 1, a
ielem = ielem+1
disgrad(:,:,i,j,k)=disgradmacro(:,:)
defgrad0(:,:)=defgradold(:,:,i,j,k)
defgrad(:,:)=math_i3(:,:)+disgrad(:,:,i,j,k) ! calculate new defgrad
call CPFEM_general(3,defgrad0,defgrad,temperature,0.0_pReal,ielem,1_pInt,stress,dsde)
defgradold(:,:,i,j,k) = math_I3(:,:) + disgrad(:,:,i,j,k) ! wind forward
disgrad(:,:,i,j,k) = disgradmacro(:,:) ! no fluctuations as guess
call CPFEM_general(3,defgradold(:,:,i,j,k),math_i3(:,:)+disgrad(:,:,i,j,k),&
temperature,0.0_pReal,ielem,1_pInt,&
stress,dsde)
! sg(:,:,i,j,k)=math_Mandel6to33(stress) ?
enddo
enddo
enddo
ielem = 0
ielem = 0
do k = 1, c !loop over FPs
do j = 1, b
do i = 1, a
ielem = ielem+1
disgrad(:,:,i,j,k) = disgradmacro(:,:)
defgrad0(:,:) = defgradold(:,:,i,j,k)
defgrad(:,:) = math_i3(:,:)+disgrad(:,:,i,j,k)
call CPFEM_general(1,defgrad0,defgrad,temperature,0.0_pReal,ielem,1_pInt,stress,dsde)
call CPFEM_general(1,defgradold(:,:,i,j,k),math_i3(:,:)+disgrad(:,:,i,j,k),&
temperature,0.0_pReal,ielem,1_pInt,&
stress,dsde)
sg(:,:,i,j,k) = math_Mandel6to33(stress)
enddo
enddo
enddo
ddisgradmacroacum = 0.
ddisgradmacroacum = 0.0_pReal
iter = 0
iter = 0_pInt
erre = 2.*error
errs = 2.*error
do while(iter <= itmax.and.(errs.gt.error.or.erre.gt.error))
do while(iter <= itmax.and.(errs > error .or. erre > error))
iter = iter+1
write(*,*)'ITER = ',iter
write(*,*) 'ITER = ',iter
write(*,*) 'DIRECT FFT OF STRESS FIELD'
do ii = 1,3
do jj = 1,3
@ -602,7 +597,7 @@ program mpie_spectral
enddo
enddo
enddo
if(c.gt.1) then
if(c > 1) then
call fourn(datafft,nn,3,1)
else
call fourn(datafft,nn2,2,1)
@ -641,19 +636,26 @@ program mpie_spectral
else
xk(3) = 0.
endif
! if (any(xk /= 0.0_pReal) then
! 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
! endif
xknorm = sqrt(xk(1)**2+xk(2)**2+xk(3)**2)
if (xknorm.ne.0.) then
if (xknorm /= 0.0_pReal) then
do i = 1,3
xk2(i) = xk(i)/(xknorm*xknorm*2.*pi)
xk2(i) = xk(i)/(xknorm*xknorm*2.*pi) ! seems to be not needed...?
xk(i) = xk(i)/xknorm
enddo
endif
! forall(i=1:3,k=1:3) aux33(i,k) = sum(c0(i,:,k,:)*xkdyad(:,:)
! this is probably equiv with below quad looping
aux33 = 0.0_pReal
do i = 1,3
do k = 1,3
aux33(i,k) = 0.
do j = 1,3
do l = 1,3
aux33(i,k) = aux33(i,k)+c0(i,j,k,l)*xk(j)*xk(l)
@ -662,7 +664,7 @@ program mpie_spectral
enddo
enddo
aux33 = math_inv3x3(aux33)
! call minv(aux33,3,det,minv1,minv2)
! if(det.eq.0) then
! write(*,*) kx,ky,kz,' --> SINGULAR SYSTEM'
@ -670,6 +672,8 @@ program mpie_spectral
! pause
! endif
! forall (p=1:3,q=1:3,i=1:3,j=1:3) g1(p,q,i,j) = -aux33(p,i)*xk(q)*xk(j)
! could substitute below quad loop
do p = 1,3
do q = 1,3
do i = 1,3
@ -685,7 +689,7 @@ program mpie_spectral
ddisgrad(i,j) = 0.
ddisgradim(i,j) = 0.
! if(kx.eq.0.and.ky.eq.0.and.kz.eq.0.) goto 4
if(.not.(kx.eq.0.and.ky.eq.0.and.kz.eq.0.)) then
if(.not.(kx == 0. .and. ky == 0. .and. kz == 0.)) then
do k = 1,3
do l = 1,3
ddisgrad(i,j) = ddisgrad(i,j)+g1(i,j,k,l)*workfft(k,l,kxx,kyy,kzz)
@ -698,7 +702,7 @@ program mpie_spectral
workfft(:,:,kxx,kyy,kzz) = ddisgrad(:,:)
workfftim(:,:,kxx,kyy,kzz) = ddisgradim(:,:)
enddo
enddo
enddo
@ -713,17 +717,17 @@ program mpie_spectral
do k = 1,c
do j = 1,b
do i = 1,a
k1 = k1+1
datafft(k1) = workfft(m1,n1,i,j,k)
k1 = k1+1
datafft(k1) = workfftim(m1,n1,i,j,k)
enddo
enddo
enddo
if(c.gt.1) then
if(c > 1) then
call fourn(datafft,nn,3,-1)
else
call fourn(datafft,nn2,2,-1)
@ -753,53 +757,41 @@ program mpie_spectral
do i = 1,a
ielem = ielem+1
call CPFEM_general(3,defgradold(:,:,i,j,k),math_i3(:,:)+disgrad(:,:,i,j,k),&
temperature,0.0_pReal,ielem,1_pInt,&
stress,dsde)
defgrad0(:,:) = defgradold(:,:,i,j,k)
defgrad(:,:) = math_i3(:,:)+disgrad(:,:,i,j,k)
call CPFEM_general(3,defgrad0,defgrad,temperature,0.0_pReal,ielem,1_pInt,stress,dsde)
sg(:,:,i,j,k) = math_Mandel6to33(stress)
enddo
enddo
enddo
ielem = 0
scauav = 0.
do k = 1,c
do j = 1,b
do i = 1,a
ielem = ielem+1
defgrad0(:,:) = defgradold(:,:,i,j,k)
defgrad(:,:) = math_i3(:,:)+disgrad(:,:,i,j,k)
call CPFEM_general(2,defgrad0,defgrad,temperature,0.0_pReal,ielem,1_pInt,stress,dsde)
call CPFEM_general(2,defgradold(:,:,i,j,k),math_i3(:,:)+disgrad(:,:,i,j,k),&
temperature,0.0_pReal,ielem,1_pInt,&
stress,dsde)
sg(:,:,i,j,k) = math_Mandel6to33(stress)
scauav(:,:) = scauav(:,:)+sg(:,:,i,j,k) ! average stress
enddo
enddo
enddo
!!! call get_smacro
! AVERAGE STRESS
scauav = scauav*wgt ! final weighting
scauav = 0.
do k = 1,c
do j = 1,b
do i = 1,a
scauav(:,:) = scauav(:,:)+sg(:,:,i,j,k)*wgt
enddo
enddo
enddo
! MIXED BC
do i = 1,3
do j = 1,3
ddisgradmacro(i,j) = 0.
if(iudot(i,j).eq.0) then
if(iudot(i,j) == 0) then
! ddisgradmacro(i,j) = ddisgradmacro(i,j)+sum(s0(i,j,:,:)*iscau(:,:)*(scauchy(:,:)-scauav(:,:)))=
! could replace the k,l loop
do k = 1,3
do l = 1,3
ddisgradmacro(i,j) = ddisgradmacro(i,j)+s0(i,j,k,l)*iscau(k,l)*(scauchy(k,l)-scauav(k,l))
@ -829,13 +821,6 @@ program mpie_spectral
!! write(*,*) 'scauav(1,1),scauav(2,2),scauav(3,3)'
!! write(*,*) scauav(1,1),scauav(2,2),scauav(3,3)
do k = 1,c
do j = 1,b
do i = 1,a
defgradold(:,:,i,j,k) = math_i3(:,:)+disgrad(:,:,i,j,k)
enddo
enddo
enddo
enddo ! IMICRO ENDDO
enddo ! JLOAD ENDDO Ende looping over loadcases