added first version of spectral method, changed corrected functions to get correct path to files

This commit is contained in:
Martin Diehl 2010-07-01 15:20:06 +00:00
parent c3e51e5330
commit 2ec39c936c
1 changed files with 653 additions and 16 deletions

View File

@ -92,22 +92,24 @@ function getSolverJobName()
posExt = scan(outName,'.',back=.true.)
posSep = scan(outName,pathSep,back=.true.)
if (posExt <= posSep) posExt = len_trim(outName) ! no extension present
if (posExt <= posSep) posExt = len_trim(outName)+1 ! no extension present
getSolverJobName = outName(1:posExt-1) ! path to mesh file (excl. extension)
getSolverJobName = outName(posSep+1:posExt-1) ! path to mesh file (excl. extension)
if (scan(getSolverJobName,pathSep) /= 1) then ! relative path given as command line argument
if (scan(getSolverJobName,pathSep) /= 1) then ! relative path given as command line argument
call getcwd(cwd)
getSolverJobName = makeRelativePath(getSolverWorkingDirectoryName(),&
rectifyPath(trim(cwd)//'/'//getSolverJobName))
getSolverJobName = rectifyPath(trim(cwd)//'/'//getSolverJobName)
else
getSolverJobName = rectifyPath(getSolverJobName)
endif
getSolverJobName = makeRelativePath(getSolverWorkingDirectoryName(),&
getSolverJobName)
return
end function
!********************************************************************
! realive path of loadcase from command line arguments
! relative path of loadcase from command line arguments
!
!********************************************************************
function getLoadcaseName()
@ -119,17 +121,22 @@ function getLoadcaseName()
character(len=1024) getLoadcaseName, outName, cwd
character(len=*), parameter :: pathSep = achar(47)//achar(92) ! /, \
integer(pInt) posExt,posSep
posExt=0 !not sure if its needed
call getarg(2,getLoadcaseName)
posExt = scan(getLoadcaseName,'.',back=.true.)
posSep = scan(getLoadcaseName,pathSep,back=.true.)
if (posExt <= posSep) getLoadcaseName = trim(getLoadcaseName)//('.load') ! no extension present
if (scan(getLoadcaseName,pathSep) /= 1) then ! relative path given as command line argument
call getcwd(cwd)
getLoadcaseName = rectifyPath(trim(cwd)//'/'//getLoadcaseName)
else
getLoadcaseName = rectifyPath(getLoadcaseName)
endif
getLoadcaseName = makeRelativePath(getSolverWorkingDirectoryName(),&
getLoadcaseName)
return
end function
@ -167,6 +174,7 @@ function rectifyPath(path)
rectifyPath(j+1:l) = rectifyPath(i+3:l)//repeat(' ',2+i-j)
i = j+index(rectifyPath(j+1:l),'../')
end do
if(len_trim(rectifyPath)==0) rectifyPath='/'
return
end function rectifyPath
@ -188,7 +196,6 @@ function makeRelativePath(a,b)
posLastCommonSlash = 0
remainingSlashes = 0
do i = 1,min(1024,len_trim(a),len_trim(b))
if (a(i:i) /= b(i:i)) exit
if (a(i:i) == '/') posLastCommonSlash = i
@ -197,7 +204,6 @@ function makeRelativePath(a,b)
if (a(i:i) == '/') remainingSlashes = remainingSlashes + 1
enddo
makeRelativePath = repeat('../',remainingSlashes)//b(posLastCommonSlash+1:len_trim(b))
return
end function makeRelativePath
@ -233,7 +239,8 @@ program mpie_spectral
use mpie_interface
use prec, only: pInt, pReal
use IO
use math, only: math_I3,math_transpose3x3
! use math, only: math_I3,math_transpose3x3,math_Mandel66to3333
use math
use CPFEM, only: CPFEM_general
implicit none
@ -262,6 +269,43 @@ program mpie_spectral
integer(pInt) unit, N_l, N_s, N_t, N_n, N, i, j, k, l ! numbers of identifiers, loop variables
integer(pInt) a, b, c, e, homog
real(pReal) x, y, z
!-------------------------
!begin RL
!-------------------------
! begin change by m.diehl
!integer(pInt), parameter :: npts1 = 32
!integer(pInt), parameter :: npts2 = 32
!integer(pInt), parameter :: npts3 = 32
integer(pInt) npts1, npts2, npts3 ! will be allocated later
! end change by m.diehl
real(pReal), dimension(:), allocatable :: datafft
real(pReal), dimension(:,:,:,:,:), allocatable :: workfft,workfftim,sg,disgrad,defgradold
integer(pInt), dimension (3,3) :: iudot,iscau
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) :: delt,nn,xk,xk2
real(pReal), dimension(2) :: nn2
real(pReal), dimension(6) :: aux6
real(pReal), dimension(3,3,3,3) :: c0,s0,g1
real(pReal), dimension(6,6) :: c066,s066
integer(pInt) itmax,nsteps,jload,ielem,ii,jj,k1,kxx,kyy,kzz,kx,ky,kz,idum,iter,imicro,m1,n1,p,q
real(pReal) prodnn,wgt,error,tdot,erre,errs,evm,svm,det,xknorm
logical errmatinv
!-------------------------
!end RL
!-------------------------
if (IargC() < 2) call IO_error(102)
@ -273,6 +317,9 @@ program mpie_spectral
N_t = 0_pInt
N_n = 0_pInt
print*,'Loadcase: ',trim(path)
print*,'Workingdir: ',trim(getSolverWorkingDirectoryName())
if (.not. IO_open_file(unit,path)) call IO_error(45,ext_msg=path)
rewind(unit)
@ -366,7 +413,8 @@ program mpie_spectral
gotDimension = .false.
gotHomogenization = .false.
path = getSolverJobName()
if (.not. IO_open_file(unit,path)) call IO_error(101,ext_msg=path)
print*,'JobName: ',trim(path)
if (.not. IO_open_file(unit,trim(path)//InputFileExtension)) call IO_error(101,ext_msg=path)
rewind(unit)
do
@ -405,9 +453,491 @@ program mpie_spectral
end select
if (gotDimension .and. gotHomogenization .and. gotResolution) exit
enddo
100 close(unit)
print '(a,/,i3,i3,i3)','resolution a b c',a,b,c
print '(a,/,f6.2,f6.2,f6.2)','dimension x y z',x, y, z
print *,'homogenization',homog
print *, ''
temperature = 300.0_pReal
call CPFEM_general(2,math_i3,math_i3,temperature,0.0_pReal,1_pInt,1_pInt,stress,dsde)
!-------------------------
!RL
!-------------------------
!begin change m.diehl
npts1=a
npts2=b
npts3=c
!end change m.diehl
allocate (datafft(2*npts1*npts2*npts3))
allocate (workfft(3,3,npts1,npts2,npts3))
allocate (workfftim(3,3,npts1,npts2,npts3))
allocate (sg(3,3,npts1,npts2,npts3))
allocate (disgrad(3,3,npts1,npts2,npts3))
allocate (defgradold(3,3,npts1,npts2,npts3))
error=0.00001
itmax=100
delt(1)=1.
delt(2)=1.
delt(3)=1.
nn(1)=npts1
nn(2)=npts2
nn(3)=npts3
nn2(1)=npts1
nn2(2)=npts2
prodnn=nn(1)*nn(2)*nn(3)
wgt=1./prodnn
! C_0 and S_0 CALCULATION
!!
!! PHILIP: FE_exec_elem?
!!
ielem=0
c0=0.
c066=0.
do k=1,npts3
do j=1,npts2
do i=1,npts1
ielem=ielem+1
call CPFEM_general(3,math_i3,math_i3,temperature,0.0_pReal,ielem,1_pInt,stress,dsde)
c066=c066+dsde
c0=c0+math_Mandel66to3333(dsde)
enddo
enddo
enddo
c066=c066*wgt
c0=c0*wgt
call math_invert(6,c066,s066,idum,errmatinv)
if(errmatinv) then
write(*,*) 'ERROR IN C0 INVERSION'
stop
endif
s0=math_Mandel66to3333(s066)
! INITIALIZATION BEFORE STARTING WITH LOADINGS
disgradmacro=0.
do k=1,npts3
do j=1,npts2
do i=1,npts1
defgradold(:,:,i,j,k)=math_i3(:,:)
enddo
enddo
enddo
do jload = 1,N
udot(:,:)=bc_velocityGrad(:,:,jload)
scauchy(:,:)=bc_stress(:,:,jload)
iudot=0
iscau=0
do i=1,3
do j=1,3
if(bc_mask(i,j,1,jload)) iudot(i,j)=1
if(bc_mask(i,j,2,jload)) iscau(i,j)=1
enddo
enddo
nsteps=bc_steps(jload)
tdot=bc_timeIncrement(jload)/bc_steps(jload)
! evm=dvm*tdot ?
do imicro=1,nsteps
write(*,*) '***************************************************'
write(*,*) 'STEP = ',imicro
! write(21,*) 'STEP = ',imicro
! INITIALIZATION BEFORE NEW TIME STEP
disgradmacro=disgradmacro+udot*tdot
ddisgradmacro=0.
ielem=0
do k=1,npts3
do j=1,npts2
do i=1,npts1
ielem=ielem+1
disgrad(:,:,i,j,k)=disgradmacro(:,:)
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
do k=1,npts3
do j=1,npts2
do i=1,npts1
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)
sg(:,:,i,j,k)=math_Mandel6to33(stress)
enddo
enddo
enddo
ddisgradmacroacum=0.
iter=0
erre=2.*error
errs=2.*error
do while(iter.lt.itmax.and.(errs.gt.error.or.erre.gt.error))
iter=iter+1
write(*,*)'ITER = ',iter
write(*,*) 'DIRECT FFT OF STRESS FIELD'
do ii=1,3
do jj=1,3
k1=0
do k=1,npts3
! write(*,'(1H+,a,i2,2(a,i4))')
! # 'STRESS - COMPONENT',ii,jj,' - Z = ',k,' OUT OF ',npts
do j=1,npts2
do i=1,npts1
k1=k1+1
datafft(k1)=sg(ii,jj,i,j,k)
k1=k1+1
datafft(k1)=0.
enddo
enddo
enddo
if(npts3.gt.1) then
call fourn(datafft,nn,3,1)
else
call fourn(datafft,nn2,2,1)
endif
k1=0
do k=1,npts3
do j=1,npts2
do i=1,npts1
k1=k1+1
workfft(ii,jj,i,j,k)=datafft(k1)
k1=k1+1
workfftim(ii,jj,i,j,k)=datafft(k1)
enddo
enddo
enddo
enddo
enddo
write(*,*) 'CALCULATING G^pq,ij : SG^ij ...'
do kzz=1,npts3
do kyy=1,npts2
do kxx=1,npts1
if(kxx.le.npts1/2) kx=kxx-1
if(kxx.gt.npts1/2) kx=kxx-npts1-1
if(kyy.le.npts2/2) ky=kyy-1
if(kyy.gt.npts2/2) ky=kyy-npts2-1
if(kzz.le.npts3/2) kz=kzz-1
if(kzz.gt.npts3/2) kz=kzz-npts3-1
xk(1)=kx/(delt(1)*nn(1))
xk(2)=ky/(delt(2)*nn(2))
if(npts3.gt.1) then
xk(3)=kz/(delt(3)*nn(3))
else
xk(3)=0.
endif
xknorm=sqrt(xk(1)**2+xk(2)**2+xk(3)**2)
if (xknorm.ne.0.) then
do i=1,3
xk2(i)=xk(i)/(xknorm*xknorm*2.*pi)
xk(i)=xk(i)/xknorm
enddo
endif
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)
enddo
enddo
enddo
enddo
aux33=math_inv3x3(aux33)
! call minv(aux33,3,det,minv1,minv2)
! if(det.eq.0) then
! write(*,*) kx,ky,kz,' --> SINGULAR SYSTEM'
! stop
! pause
! endif
do p=1,3
do q=1,3
do i=1,3
do j=1,3
g1(p,q,i,j)=-aux33(p,i)*xk(q)*xk(j)
enddo
enddo
enddo
enddo
do i=1,3
do j=1,3
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
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)
ddisgradim(i,j)=ddisgradim(i,j)+g1(i,j,k,l)*workfftim(k,l,kxx,kyy,kzz)
enddo
enddo
endif
enddo
enddo
workfft(:,:,kxx,kyy,kzz)=ddisgrad(:,:)
workfftim(:,:,kxx,kyy,kzz)=ddisgradim(:,:)
enddo
enddo
enddo
write(*,*) 'INVERSE FFT TO GET DISPLACEMENT GRADIENT FIELD'
do m1=1,3
do n1=1,3
k1=0
do k=1,npts3
do j=1,npts2
do i=1,npts1
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(npts3.gt.1) then
call fourn(datafft,nn,3,-1)
else
call fourn(datafft,nn2,2,-1)
endif
datafft=datafft*wgt
k1=0
do k=1,npts3
do j=1,npts2
do i=1,npts1
k1=k1+1
disgrad(m1,n1,i,j,k)=disgrad(m1,n1,i,j,k)+ddisgradmacro(m1,n1)+datafft(k1)
k1=k1+1
enddo
enddo
enddo
enddo
enddo
write(*,*) 'UPDATE STRESS FIELD'
!!! call evpal
ielem=0
do k=1,npts3
do j=1,npts2
do i=1,npts1
ielem=ielem+1
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
do k=1,npts3
do j=1,npts2
do i=1,npts1
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)
sg(:,:,i,j,k)=math_Mandel6to33(stress)
enddo
enddo
enddo
!!! call get_smacro
! AVERAGE STRESS
scauav=0.
do k=1,npts3
do j=1,npts2
do i=1,npts1
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
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))
enddo
enddo
endif
enddo
enddo
ddisgradmacroacum=ddisgradmacroacum+ddisgradmacro
! write(*,*) 'DDEFGRADMACRO(1,1),(2,2)=',ddefgradmacro(1,1),ddefgradmacro(2,2)
!! svm= ?
! erre=erre/evm
! errs=errs/svm
write(*,*) 'STRESS FIELD ERROR =',errs
write(*,*) 'STRAIN FIELD ERROR =',erre
! write(21,101) iter,erre,errs,svm
!101 format(i3,4(1x,e10.4),10(1x,F7.4))
enddo ! WHILE ENDDO
disgradmacroactual=disgradmacro+ddisgradmacroacum
!! write(*,*) 'defgradmacro(1,1),defgradmacro(2,2),defgradmacro(3,3)'
!! write(*,*) defgradmacroactual(1,1),defgradmacroactual(2,2),defgradmacroactual(3,3)
!! write(*,*) 'defgradmacro(1,1)/defgradmacro(3,3)'
!! write(*,*) defgradmacroactual(1,1)/defgradmacroactual(3,3)
!! write(*,*) 'scauav(1,1),scauav(2,2),scauav(3,3)'
!! write(*,*) scauav(1,1),scauav(2,2),scauav(3,3)
do k=1,npts3
do j=1,npts2
do i=1,npts1
defgradold(:,:,i,j,k)=math_i3(:,:)+disgrad(:,:,i,j,k)
enddo
enddo
enddo
enddo ! IMICRO ENDDO
enddo ! JLOAD ENDDO
!-------------------------
!RL
!-------------------------
end program mpie_spectral
@ -424,3 +954,110 @@ subroutine quit(id)
stop
end subroutine
SUBROUTINE fourn(data,nn,ndim,isign)
!
! FROM NUMERICAL RECIPES IN F77 (FIXED FORMAT),
! CONVERTED INTO FREE FORMAT (RL @ MPIE, JUNE 2010)
!
INTEGER isign,ndim,nn(ndim)
REAL data(*)
! INTEGER i1,i2,i2rev,i3,i3rev,ibit,idim,ifp1,ifp2,ip1,ip2,ip3,k1,
! *k2,n,nprev,nrem,ntot
INTEGER i1,i2,i2rev,i3,i3rev,ibit,idim,ifp1,ifp2,ip1,ip2,ip3,k1,k2,n,nprev,nrem,ntot
REAL tempi,tempr
DOUBLE PRECISION theta,wi,wpi,wpr,wr,wtemp
ntot=1
! do 11 idim=1,ndim
do idim=1,ndim ! 11
!
ntot=ntot*nn(idim)
!11 continue
enddo ! 11
!
nprev=1
! do 18 idim=1,ndim
do idim=1,ndim ! 18
n=nn(idim)
nrem=ntot/(n*nprev)
ip1=2*nprev
ip2=ip1*n
ip3=ip2*nrem
i2rev=1
! do 14 i2=1,ip2,ip1
do i2=1,ip2,ip1 ! 14
if(i2.lt.i2rev)then
! do 13 i1=i2,i2+ip1-2,2
! do 12 i3=i1,ip3,ip2
do i1=i2,i2+ip1-2,2 ! 13
do i3=i1,ip3,ip2 ! 12
i3rev=i2rev+i3-i2
tempr=data(i3)
tempi=data(i3+1)
data(i3)=data(i3rev)
data(i3+1)=data(i3rev+1)
data(i3rev)=tempr
data(i3rev+1)=tempi
!12 continue
!13 continue
enddo ! 12
enddo ! 13
endif
ibit=ip2/2
!1 if ((ibit.ge.ip1).and.(i2rev.gt.ibit)) then
do while ((ibit.ge.ip1).and.(i2rev.gt.ibit)) ! if 1
i2rev=i2rev-ibit
ibit=ibit/2
! goto 1
! endif
enddo ! do while (if 1)
i2rev=i2rev+ibit
!14 continue
enddo ! 14
ifp1=ip1
!2 if(ifp1.lt.ip2)then
do while (ifp1.lt.ip2) ! if 2
ifp2=2*ifp1
theta=isign*6.28318530717959d0/(ifp2/ip1)
wpr=-2.d0*sin(0.5d0*theta)**2
wpi=sin(theta)
wr=1.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 i1=i3,i3+ip1-2,2 ! 16
do i2=i1,ip3,ifp2 ! 15
k1=i2
k2=k1+ifp1
tempr=sngl(wr)*data(k2)-sngl(wi)*data(k2+1)
tempi=sngl(wr)*data(k2+1)+sngl(wi)*data(k2)
data(k2)=data(k1)-tempr
data(k2+1)=data(k1+1)-tempi
data(k1)=data(k1)+tempr
data(k1+1)=data(k1+1)+tempi
!15 continue
!16 continue
enddo ! 15
enddo ! 16
wtemp=wr
wr=wr*wpr-wi*wpi+wr
wi=wi*wpr+wtemp*wpi+wi
!17 continue
enddo ! 17
ifp1=ifp2
! goto 2
! endif
enddo ! do while (if 2)
nprev=n*nprev
!18 continue
enddo ! 18
return
END subroutine