diff --git a/code/mpie_spectral2.f90 b/code/mpie_spectral2.f90 deleted file mode 100644 index be0028a94..000000000 --- a/code/mpie_spectral2.f90 +++ /dev/null @@ -1,606 +0,0 @@ -!* $Id: mpie_spectral.f90 665 2010-10-13 16:04:44Z MPIE\m.diehl $ -!******************************************************************** -! Material subroutine for BVP solution using spectral method -! -! written by P. Eisenlohr, -! F. Roters, -! L. Hantcherli, -! W.A. Counts -! D.D. Tjahjanto -! C. Kords -! M. Diehl -! R. Lebensohn -! -! MPI fuer Eisenforschung, Duesseldorf -! -!******************************************************************** -! Usage: -! - start program with mpie_spectral PathToMeshFile/NameOfMesh.mesh -! PathToLoadFile/NameOfLoadFile.load -! - PathToLoadFile will be the working directory -! - make sure the file "material.config" exists in the working -! directory -!******************************************************************** -program mpie_spectral -!******************************************************************** - - use mpie_interface - use prec, only: pInt, pReal - use IO - use math - use CPFEM, only: CPFEM_general - use numerics, only: relevantStrain, rTol_crystalliteStress - - implicit none - include 'fftw3.f' !header file for fftw3 (declaring variables). Library file is also needed - -! variables to read from loadcase and mesh 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 - integer(pInt), dimension (1+maxNchunksInput*2) :: posInput - integer(pInt), parameter :: maxNchunksMesh = 7 ! 4 identifiers, 3 values - integer(pInt), dimension (1+2*maxNchunksMesh) :: posMesh - integer(pInt) unit, N_l, N_s, N_t, N_n ! numbers of identifiers - character(len=1024) path, line - logical gotResolution,gotDimension,gotHomogenization - logical, dimension(9) :: bc_maskvector - -! variables storing information from loadcase file - real(pReal) timeinc - real(pReal), dimension (:,:,:), allocatable :: bc_velocityGrad, & - bc_stress ! velocity gradient and stress BC - real(pReal), dimension(:), allocatable :: bc_timeIncrement ! length of increment - integer(pInt) N_Loadcases, steps - integer(pInt), dimension(:), allocatable :: bc_steps ! number of steps - logical, dimension(:,:,:,:), allocatable :: bc_mask ! mask of boundary conditions - -! variables storing information from mesh file - real(pReal) wgt - real(pReal), dimension(3) :: meshdimension - integer(pInt) homog, prodnn - integer(pInt), dimension(3) :: resolution - -! stress etc. - real(pReal), dimension(3,3) :: ones, zeroes, temp33_Real, damper,& - pstress, pstress_av, cstress_av, defgrad_av,& - defgradAim, defgradAimOld, defgradAimCorr, defgradAimCorrPrev,& - mask_stress, mask_defgrad - real(pReal), dimension(3,3,3,3) :: dPdF, c0, s0 - real(pReal), dimension(6) :: cstress ! cauchy stress in Mandel notation - real(pReal), dimension(6,6) :: dsde, c066, s066 - real(pReal), dimension(:,:,:,:,:), allocatable :: defgrad, defgradold, cstress_field - complex(pReal), dimension(:,:,:,:,:), allocatable :: pstress_field, tau - complex(pReal), dimension(:,:,:), allocatable :: ddefgrad - -! variables storing information for spectral method - complex(pReal), dimension(:,:,:,:,:), allocatable :: workfft - complex(pReal), dimension(3,3) :: temp33_Complex - real(pReal), dimension(3,3) :: xinormdyad - real(pReal), dimension(:,:,:,:,:,:,:), allocatable :: gamma_hat - real(pReal), dimension(:,:,:,:), allocatable :: xi - integer(pInt), dimension(3) :: k_s - integer*8, dimension(3,3,3) :: plan_fft - -! convergence etc. - real(pReal) err_div, err_stress, err_defgrad - real(pReal) err_div_tol, err_stress_tol, err_stress_tolrel, sigma0 - integer(pInt) itmax, ierr - logical errmatinv - -! loop variables etc. - real(pReal) guessmode ! flip-flop to guess defgrad fluctuation field evolution - integer(pInt) i, j, k, l, m, n, p - integer(pInt) loadcase, ielem, iter, calcmode, CPFEM_mode - - real(pReal) temperature ! not used, but needed for call to CPFEM_general - -!gmsh output - character(len=1024) :: nriter - character(len=1024) :: nrstep - real(pReal), dimension(:,:,:,:), allocatable :: displacement -!gmsh output - -!Initializing - bc_maskvector = '' - unit = 234_pInt - - ones = 1.0_pReal - zeroes = 0.0_pReal - - N_l = 0_pInt - N_s = 0_pInt - N_t = 0_pInt - N_n = 0_pInt - - resolution = 1_pInt; meshdimension = 0.0_pReal - - err_div_tol = 1.0e-4 - itmax = 250_pInt - err_stress_tolrel=0.01 - - temperature = 300.0_pReal - - gotResolution =.false.; gotDimension =.false.; gotHomogenization = .false. - - if (IargC() /= 2) call IO_error(102) ! check for correct number of given arguments - -! Reading the loadcase file and assign variables - path = getLoadcaseName() - print*,'Loadcase: ',trim(path) - print*,'Workingdir: ',trim(getSolverWorkingDirectoryName()) - - if (.not. IO_open_file(unit,path)) call IO_error(45,ext_msg = path) - - rewind(unit) - do - read(unit,'(a1024)',END = 101) line - if (IO_isBlank(line)) cycle ! skip empty lines - posInput = IO_stringPos(line,maxNchunksInput) - do i = 1, maxNchunksInput, 1 - select case (IO_lc(IO_stringValue(line,posInput,i))) - case('l','velocitygrad') - N_l = N_l+1 - case('s','stress') - N_s = N_s+1 - case('t','time','delta') - N_t = N_t+1 - case('n','incs','increments','steps') - N_n = N_n+1 - end select - enddo ! count all identifiers to allocate memory and do sanity check - if ((N_l /= N_s).or.(N_s /= N_t).or.(N_t /= N_n)) & ! sanity check - call IO_error(46,ext_msg = path) !error message for incomplete input file - - enddo - -! allocate memory depending on lines in input file -101 N_Loadcases = N_l - - allocate (bc_velocityGrad(3,3,N_Loadcases)); bc_velocityGrad = 0.0_pReal - allocate (bc_stress(3,3,N_Loadcases)); bc_stress = 0.0_pReal - allocate (bc_mask(3,3,2,N_Loadcases)); bc_mask = .false. - allocate (bc_timeIncrement(N_Loadcases)); bc_timeIncrement = 0.0_pReal - allocate (bc_steps(N_Loadcases)); bc_steps = 0_pInt - - rewind(unit) - i = 0_pInt - do - read(unit,'(a1024)',END = 200) line - if (IO_isBlank(line)) cycle ! skip empty lines - i = i + 1 - posInput = IO_stringPos(line,maxNchunksInput) - do j = 1,maxNchunksInput,2 - select case (IO_lc(IO_stringValue(line,posInput,j))) - case('l','velocitygrad') - valuevector = 0.0_pReal - forall (k = 1:9) bc_maskvector(k) = IO_stringValue(line,posInput,j+k) /= '#' - do k = 1,9 - if (bc_maskvector(k)) valuevector(k) = IO_floatValue(line,posInput,j+k) ! assign values for the velocity gradient matrix - enddo - bc_mask(:,:,1,i) = reshape(bc_maskvector,(/3,3/)) - bc_velocityGrad(:,:,i) = reshape(valuevector,(/3,3/)) - case('s','stress') - valuevector = 0.0_pReal - forall (k = 1:9) bc_maskvector(k) = IO_stringValue(line,posInput,j+k) /= '#' - do k = 1,9 - if (bc_maskvector(k)) valuevector(k) = IO_floatValue(line,posInput,j+k) ! assign values for the bc_stress matrix - enddo - bc_mask(:,:,2,i) = reshape(bc_maskvector,(/3,3/)) - bc_stress(:,:,i) = reshape(valuevector,(/3,3/)) - case('t','time','delta') ! increment time - bc_timeIncrement(i) = IO_floatValue(line,posInput,j+1) - case('n','incs','increments','steps') ! bc_steps - bc_steps(i) = IO_intValue(line,posInput,j+1) - end select - enddo; enddo - -200 close(unit) - - do i = 1, N_Loadcases - if (any(bc_mask(:,:,1,i) == bc_mask(:,:,2,i))) call IO_error(47,i) ! bc_mask consistency - print '(a,/,3(3(f12.6,x)/))','L',bc_velocityGrad(:,:,i) - print '(a,/,3(3(f12.6,x)/))','bc_stress',bc_stress(:,:,i) - print '(a,/,3(3(l,x)/))','bc_mask for velocitygrad',bc_mask(:,:,1,i) - print '(a,/,3(3(l,x)/))','bc_mask for stress',bc_mask(:,:,2,i) - print *,'time',bc_timeIncrement(i) - print *,'incs',bc_steps(i) - print *, '' - enddo - -!read header of mesh file to get the information needed before the complete mesh file is intepretated by mesh.f90 - path = getSolverJobName() - print*,'JobName: ',trim(path) - if (.not. IO_open_file(unit,trim(path)//InputFileExtension)) call IO_error(101,ext_msg = path) - - rewind(unit) - do - read(unit,'(a1024)',END = 100) line - if (IO_isBlank(line)) cycle ! skip empty lines - posMesh = IO_stringPos(line,maxNchunksMesh) - - select case ( IO_lc(IO_StringValue(line,posMesh,1)) ) - case ('dimension') - gotDimension = .true. - do i = 2,6,2 - select case (IO_lc(IO_stringValue(line,posMesh,i))) - case('x') - meshdimension(1) = IO_floatValue(line,posMesh,i+1) - case('y') - meshdimension(2) = IO_floatValue(line,posMesh,i+1) - case('z') - meshdimension(3) = IO_floatValue(line,posMesh,i+1) - end select - enddo - case ('homogenization') - gotHomogenization = .true. - homog = IO_intValue(line,posMesh,2) - case ('resolution') - gotResolution = .true. - do i = 2,6,2 - select case (IO_lc(IO_stringValue(line,posMesh,i))) - case('a') - resolution(1) = IO_intValue(line,posMesh,i+1) - case('b') - resolution(2) = IO_intValue(line,posMesh,i+1) - case('c') - resolution(3) = IO_intValue(line,posMesh,i+1) - end select - enddo - end select - if (gotDimension .and. gotHomogenization .and. gotResolution) exit - enddo - 100 close(unit) - - print '(a,/,i4,i4,i4)','resolution a b c', resolution - print '(a,/,f6.1,f6.1,f6.1)','dimension x y z', meshdimension - print *,'homogenization',homog - print *, '' - - allocate (workfft(resolution(1),resolution(2),resolution(3),3,3)); workfft = 0.0_pReal - allocate (gamma_hat(resolution(1),resolution(2),resolution(3),3,3,3,3)); gamma_hat = 0.0_pReal - allocate (xi(resolution(1),resolution(2),resolution(3),3)); xi = 0.0_pReal - allocate (pstress_field(resolution(1),resolution(2),resolution(3),3,3)); pstress_field = 0.0_pReal - allocate (cstress_field(resolution(1),resolution(2),resolution(3),3,3)); cstress_field = 0.0_pReal - allocate (tau(resolution(1),resolution(2),resolution(3),3,3)); tau = 0.0_pReal - allocate (displacement(resolution(1),resolution(2),resolution(3),3)); displacement = 0.0_pReal - allocate (defgrad(resolution(1),resolution(2),resolution(3),3,3)); defgrad = 0.0_pReal - allocate (defgradold(resolution(1),resolution(2),resolution(3),3,3)); defgradold = 0.0_pReal - allocate (ddefgrad(resolution(1),resolution(2),resolution(3))); ddefgrad = 0.0_pReal - -! Initialization of fftw (see manual on fftw.org for more details) - call dfftw_init_threads(ierr) - call dfftw_plan_with_nthreads(4) - do m = 1,3; do n = 1,3 - call dfftw_plan_dft_3d(plan_fft(1,m,n),resolution(1),resolution(2),resolution(3),& - cstress_field(:,:,:,m,n), workfft(:,:,:,m,n), FFTW_PATIENT, FFTW_FORWARD) !only for calculation of div (P) - call dfftw_plan_dft_3d(plan_fft(2,m,n),resolution(1),resolution(2),resolution(3),& - tau(:,:,:,m,n), workfft(:,:,:,m,n), FFTW_PATIENT, FFTW_FORWARD) - call dfftw_plan_dft_3d(plan_fft(3,m,n),resolution(1),resolution(2),resolution(3),& - workfft(:,:,:,m,n), ddefgrad(:,:,:), FFTW_PATIENT, FFTW_BACKWARD) - enddo; enddo - - prodnn = resolution(1)*resolution(2)*resolution(3) - wgt = 1_pReal/real(prodnn, pReal) - defgradAim = math_I3 - defgradAimOld = math_I3 - defgrad_av = math_I3 -! Initialization of CPFEM_general (= constitutive law) and of deformation gradient field - ielem = 0_pInt - c066 = 0.0_pReal - do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1) - defgradold(i,j,k,:,:) = math_I3 !no deformation at the beginning - defgrad(i,j,k,:,:) = math_I3 - ielem = ielem +1 - call CPFEM_general(2,math_I3,math_I3,temperature,0.0_pReal,ielem,1_pInt,cstress,dsde,pstress,dPdF) - c066 = c066 + dsde - enddo; enddo; enddo - c066 = c066 * wgt - c0 = math_mandel66to3333(c066) - call math_invert(6, c066, s066,i, errmatinv) - s0 = math_mandel66to3333(s066) - -!calculation of xinormdyad (to calculate gamma_hat) and xi (waves, for proof of equilibrium) - do k = 1, resolution(3) - k_s(3) = k-1 - if(k > resolution(3)/2+1) k_s(3) = k_s(3)-resolution(3) - do j = 1, resolution(2) - k_s(2) = j-1 - if(j > resolution(2)/2+1) k_s(2) = k_s(2)-resolution(2) - do i = 1, resolution(1) - k_s(1) = i-1 - if(i > resolution(1)/2+1) k_s(1) = k_s(1)-resolution(1) - xi(i,j,k,3) = 0.0_pReal - if(resolution(3) > 1) xi(i,j,k,3) = real(k_s(3), pReal)/meshdimension(3) - xi(i,j,k,2) = real(k_s(2), pReal)/meshdimension(2) - xi(i,j,k,1) = real(k_s(1), pReal)/meshdimension(1) - if (any(xi(i,j,k,:) /= 0.0_pReal)) then - do l = 1,3; do m = 1,3 - xinormdyad(l,m) = xi(i,j,k, l)*xi(i,j,k, m)/sum(xi(i,j,k,:)**2) - enddo; enddo - else - xinormdyad = 0.0_pReal - endif - temp33_Real = math_mul3333xx33(c0, xinormdyad) - temp33_Real = math_inv3x3(temp33_Real) - do l=1,3; do m=1,3; do n=1,3; do p=1,3 - gamma_hat(i,j,k, l,m,n,p) = - temp33_Real(l,n) * xinormdyad(m,p) - ! gamma_hat(i,j,k, l,m,n,p) = - 0.5_pReal * temp33_Real(l,n) * xinormdyad(m,p)& ! symmetrization???????? - ! - 0.5_pReal * temp33_Real(m,n) * xinormdyad(l,p) - enddo; enddo; enddo; enddo - enddo; enddo; enddo - - open(539,file='stress-strain.out') -! Initialization done - -!************************************************************* -!Loop over loadcases defined in the loadcase file - do loadcase = 1, N_Loadcases -!************************************************************* - - timeinc = bc_timeIncrement(loadcase)/bc_steps(loadcase) - guessmode = 0.0_pReal ! change of load case, homogeneous guess for the first step - - mask_defgrad = merge(ones,zeroes,bc_mask(:,:,1,loadcase)) - mask_stress = merge(ones,zeroes,bc_mask(:,:,2,loadcase)) - damper = ones/10 -!************************************************************* -! loop oper steps defined in input file for current loadcase - do steps = 1, bc_steps(loadcase) -!************************************************************* - temp33_Real = defgradAim - defgradAim = defgradAim & ! update macroscopic displacement gradient (defgrad BC) - + guessmode * mask_stress * (defgradAim - defgradAimOld) & - + math_mul33x33(bc_velocityGrad(:,:,loadcase), defgradAim)*timeinc - defgradAimOld = temp33_Real - - do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1) - temp33_Real = defgrad(i,j,k,:,:) - defgrad(i,j,k,:,:) = defgrad(i,j,k,:,:)& ! old fluctuations as guess for new step, no fluctuations for new loadcase - + guessmode * (defgrad(i,j,k,:,:) - defgradold(i,j,k,:,:))& - + (1.0_pReal-guessmode) * math_mul33x33(bc_velocityGrad(:,:,loadcase),defgradold(i,j,k,:,:))*timeinc - defgradold(i,j,k,:,:) = temp33_Real - enddo; enddo; enddo - - guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase - calcmode = 0_pInt ! start calculation of BC fullfillment - CPFEM_mode = 1_pInt ! winding forward - iter = 0_pInt - err_div= 2_pReal * err_div_tol ! go into loop - defgradAimCorr = 0.0_pReal ! reset damping calculation - damper = damper * 0.9_pReal - -!************************************************************* -! convergence loop - do while( iter <= itmax .and. & - (err_div > err_div_tol .or. & - err_stress > err_stress_tol)) - iter = iter + 1 - print '(A,I5.5,tr2,A,I5.5)', ' Step = ',steps,'Iteration = ',iter -!************************************************************* - -! adjust defgrad to fulfill BCs - select case (calcmode) - case (0) - print *, 'Update Stress Field (constitutive evaluation P(F))' - ielem = 0_pInt - do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1) - ielem = ielem + 1 - call CPFEM_general(3, defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),& - temperature,timeinc,ielem,1_pInt,& - cstress,dsde, pstress, dPdF) - enddo; enddo; enddo - - ielem = 0_pInt - do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1) - ielem = ielem + 1 - call CPFEM_general(CPFEM_mode,& ! first element in first iteration retains CPFEM_mode 1, - defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),& ! others get 2 (saves winding forward effort) - temperature,timeinc,ielem,1_pInt,& - cstress,dsde, pstress, dPdF) - CPFEM_mode = 2_pInt - pstress_field(i,j,k,:,:) = pstress - cstress_field(i,j,k,:,:) = math_mandel6to33(cstress) - enddo; enddo; enddo - - do m = 1,3; do n = 1,3 - pstress_av(m,n) = sum(pstress_field(:,:,:,m,n)) * wgt - cstress_av(m,n) = sum(cstress_field(:,:,:,m,n)) * wgt - defgrad_av(m,n) = sum(defgrad(:,:,:,m,n)) * wgt - enddo; enddo - - err_stress = maxval(abs(mask_stress * (cstress_av - bc_stress(:,:,loadcase)))) - err_stress_tol = maxval(abs(cstress_av))*err_stress_tolrel - - print*, 'Correcting deformation gradient to fullfill BCs' - defgradAimCorrPrev = defgradAimCorr - defgradAimCorr = -mask_stress * math_mul3333xx33(s0, (mask_stress*(cstress_av - bc_stress(:,:,loadcase)))) - - do m=1,3; do n =1,3 ! calculate damper (correction is far to strong) - if ( sign(1.0_pReal,defgradAimCorr(m,n))/=sign(1.0_pReal,defgradAimCorrPrev(m,n))) then - damper(m,n) = max(0.01_pReal,damper(m,n)*0.8) - else - damper(m,n) = min(1.0_pReal,damper(m,n) *1.2) - endif - enddo; enddo - defgradAimCorr = mask_Stress*(damper * defgradAimCorr) - defgradAim = defgradAim + defgradAimCorr - - do m = 1,3; do n = 1,3 - defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (defgradAim(m,n) - defgrad_av(m,n)) !anticipated target minus current state - enddo; enddo - err_div = 2 * err_div_tol - err_defgrad = maxval(abs(mask_defgrad * (defgrad_av - defgradAim))) - print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient: ',defgrad_av(1:3,:) - print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress [MPa]: ',cstress_av(1:3,:)/1.e6 - print '(a,E8.2)', ' error defgrad ',err_defgrad - print '(2(a,E8.2))', ' error stress ',err_stress,' Tol. = ', err_stress_tol*0.8 - if(err_stress < err_stress_tol*0.8) then - calcmode = 1 - endif - -! Using the spectral method to calculate the change of deformation gradient, check divergence of stress field in fourier space - case (1) - print *, 'Update Stress Field (constitutive evaluation P(F))' - ielem = 0_pInt - do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1) - ielem = ielem + 1 - call CPFEM_general(3, defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),& - temperature,timeinc,ielem,1_pInt,& - cstress,dsde, pstress, dPdF) - enddo; enddo; enddo - - ielem = 0_pInt - do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1) - ielem = ielem + 1 - call CPFEM_general(2,& - defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),& - temperature,timeinc,ielem,1_pInt,& - cstress,dsde, pstress, dPdF) - pstress_field(i,j,k,:,:) = pstress - cstress_field(i,j,k,:,:) = math_mandel6to33(cstress) - enddo; enddo; enddo - - do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1) - tau(i,j,k,:,:) = cstress_field(i,j,k,:,:) - math_mul3333xx33(c0, defgrad(i,j,k,:,:)-math_I3) - enddo; enddo; enddo - - print *, 'Calculating equilibrium using spectral method' - err_div = 0.0_pReal; sigma0 = 0.0_pReal - do m = 1,3; do n = 1,3 - call dfftw_execute_dft(plan_fft(1,m,n), cstress_field(:,:,:,m,n),workfft(:,:,:,m,n)) - if(n==3) sigma0 = max(sigma0, sum(abs(workfft(1,1,1,m,:)))) ! L infinity Norm of stress tensor - enddo; enddo - - do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1) - err_div = err_div + (maxval(abs(math_mul33x3_complex(workfft(i,j,k,:,:),xi(i,j,k,:))))) ! L infinity Norm of div(stress) - enddo; enddo; enddo - err_div = err_div/real(prodnn, pReal)/sigma0 !weighting of error - - do m = 1,3; do n = 1,3 - call dfftw_execute_dft(plan_fft(2,m,n), tau(:,:,:,m,n), workfft(:,:,:,m,n)) - enddo; enddo - - do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1) - temp33_Complex = 0.0_pReal - do m = 1,3; do n = 1,3 - temp33_Complex(m,n) = sum(gamma_hat(i,j,k,m,n,:,:) * workfft(i,j,k,:,:)) - enddo; enddo - workfft(i,j,k,:,:) = temp33_Complex(:,:) - enddo; enddo; enddo - workfft(1,1,1,:,:) = zeroes - - do m = 1,3; do n = 1,3 - call dfftw_execute_dft_c2r(plan_fft(3,m,n), workfft(:,:,:,m,n),ddefgrad(:,:,:)) - defgrad(:,:,:,m,n) = defgrad_av(m,n) + real(ddefgrad, pReal) * wgt - pstress_av(m,n) = sum(pstress_field(:,:,:,m,n))*wgt - cstress_av(m,n) = sum(cstress_field(:,:,:,m,n))*wgt - defgrad_av(m,n) = sum(defgrad(:,:,:,m,n))*wgt - defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (defgradAim(m,n) - defgrad_av(m,n)) !anticipated target minus current state - enddo; enddo - - err_stress = maxval(abs(mask_stress * (cstress_av - bc_stress(:,:,loadcase)))) - err_stress_tol = maxval(abs(cstress_av))*err_stress_tolrel !accecpt relativ error specified - - print '(2(a,E8.2))', ' error divergence ',err_div,' Tol. = ', err_div_tol - print '(2(a,E8.2))', ' error stress ',err_stress,' Tol. = ', err_stress_tol - if(err_stress > err_stress_tol .and. err_div < err_div_tol) then ! change to calculation of BCs, reset damper etc. - calcmode = 0 - defgradAimCorr = 0.0_pReal - damper = damper * 0.9_pReal - endif - end select - enddo ! end looping when convergency is achieved - - write(539,'(E12.6,a,E12.6)'),defgrad_av(3,3)-1,' ', cstress_av(3,3) - print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient: ',defgrad_av(1:3,:) - print *, '' - print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress [MPa]: ',cstress_av(1:3,:)/1.e6 - print '(A)', '************************************************************' - -! Postprocessing (gsmh output) - - temp33_Real(1,:) = 0.0_pReal; temp33_Real(1,3) = -(real(resolution(3))/meshdimension(3)) ! start just below origin - - do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1) - if((j==1).and.(i==1)) then - temp33_Real(1,:) = temp33_Real(1,:) + math_mul33x3(defgrad(i,j,k,:,:),& - (/0.0_pReal,0.0_pReal,(real(resolution(3))/meshdimension(3))/)) - temp33_Real(2,:) = temp33_Real(1,:) - temp33_Real(3,:) = temp33_Real(1,:) - displacement(i,j,k,:) = temp33_Real(1,:) - else - if(i==1) then - temp33_Real(2,:) = temp33_Real(2,:) + math_mul33x3(defgrad(i,j,k,:,:),& - (/0.0_pReal,(real(resolution(2))/meshdimension(2)),0.0_pReal/)) - temp33_Real(3,:) = temp33_Real(2,:) - displacement(i,j,k,:) = temp33_Real(2,:) - else - temp33_Real(3,:) = temp33_Real(3,:) + math_mul33x3(defgrad(i,j,k,:,:),& - (/(real(resolution(1))/meshdimension(1)),0.0_pReal,0.0_pReal/)) - displacement(i,j,k,:) = temp33_Real(3,:) - endif - endif - enddo; enddo; enddo - - write(nriter, *) iter; write(nrstep, *) steps - open(589,file = 'stress' //trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh') - open(588,file = 'disgrad'//trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh') - write(589, '(4(A, /), I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', prodnn - write(588, '(4(A, /), I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', prodnn - - ielem = 0_pInt - do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1) - ielem = ielem + 1 - write(589, '(I10, 3(tr2, E12.6))'), ielem, displacement(i,j,k,:) !for deformed configuration - write(588, '(I10, 3(tr2, E12.6))'), ielem, displacement(i,j,k,:) - ! write(589, '(4(I10,tr2))'), ielem, i-1,j-1,k-1 !for undeformed configuration - ! write(588, '(4(I10,tr2))'), ielem, i-1,j-1,k-1 - enddo; enddo; enddo - - write(589, '(2(A, /), I10)'), '$EndNodes', '$Elements', prodnn - write(588, '(2(A, /), I10)'), '$EndNodes', '$Elements', prodnn - - do i = 1, prodnn - write(589, '(I10, A, I10)'), i, ' 15 2 1 2', i - write(588, '(I10, A, I10)'), i, ' 15 2 1 2', i - enddo - - write(589, '(A)'), '$EndElements' - write(588, '(A)'), '$EndElements' - write(589, '(8(A, /), I10)'), '$NodeData', '1','"'//trim(adjustl('stress'//trim(adjustl(nrstep))//& - '-'//trim(adjustl(nriter))//'_cpfem.msh'))//'"','1','0.0', '3', '0', '9', prodnn - write(588, '(8(A, /), I10)'), '$NodeData', '1','"'//trim(adjustl('disgrad'//trim(adjustl(nrstep))//& - '-'//trim(adjustl(nriter))//'_cpfem.msh'))//'"','1','0.0', '3', '0', '9', prodnn - - ielem = 0_pInt - do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1) - ielem = ielem + 1 - write(589, '(i10, 9(tr2, E14.8))'), ielem, cstress_field(i,j,k,:,:) - write(588, '(i10, 9(tr2, E14.8))'), ielem, defgrad(i,j,k,:,:) - math_I3 - enddo; enddo; enddo - - write(589, *), '$EndNodeData' - write(588, *), '$EndNodeData' - close(589); close(588) - enddo ! end looping over steps in current loadcase - enddo ! end looping over loadcases -close(539) - -do i=1,2; do m = 1,3; do n = 1,3 - call dfftw_destroy_plan(plan_fft(i,m,n)) -enddo; enddo; enddo - -end program mpie_spectral - -!******************************************************************** -! quit subroutine to satisfy IO_error -! -!******************************************************************** -subroutine quit(id) - use prec - implicit none - - integer(pInt) id - - stop -end subroutine \ No newline at end of file