added raw output, gmsh output is still included
This commit is contained in:
Martin Diehl
parent
9320d48305
commit
17812c1f9e
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@ -29,7 +29,8 @@ program mpie_spectral
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use IO
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use math
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use CPFEM, only: CPFEM_general
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use numerics, only: relevantStrain, rTol_crystalliteStress
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use numerics, only: relevantStrain, rTol_crystalliteStress !ToDo: change to really needed variables
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use homogenization, only: materialpoint_sizeResults, materialpoint_results
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implicit none
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include 'fftw3.f' !header file for fftw3 (declaring variables). Library file is also needed
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@ -82,7 +83,7 @@ program mpie_spectral
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! convergence etc.
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real(pReal) err_div, err_stress, err_defgrad
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real(pReal) err_div_tol, err_stress_tol, err_stress_tolrel, sigma0
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real(pReal) err_div_tol, err_stress_tol, err_stress_tolrel, err_defgrad_tol, sigma0
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integer(pInt) itmax, ierr
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logical errmatinv
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@ -96,6 +97,7 @@ program mpie_spectral
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!gmsh output
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character(len=1024) :: nriter
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character(len=1024) :: nrstep
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character(len=1024) :: nrloadcase
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real(pReal), dimension(:,:,:,:), allocatable :: displacement
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!gmsh output
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@ -103,20 +105,17 @@ program mpie_spectral
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bc_maskvector = ''
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unit = 234_pInt
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ones = 1.0_pReal
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zeroes = 0.0_pReal
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ones = 1.0_pReal; zeroes = 0.0_pReal
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N_l = 0_pInt
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N_s = 0_pInt
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N_t = 0_pInt
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N_n = 0_pInt
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N_l = 0_pInt; N_s = 0_pInt
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N_t = 0_pInt; N_n = 0_pInt
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resolution = 1_pInt; meshdimension = 0.0_pReal
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err_div_tol = 1.0e-4
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err_div_tol = 1.0e-6
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itmax = 250_pInt
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err_stress_tolrel=0.01
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err_defgrad_tol=1.0e-5
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temperature = 300.0_pReal
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gotResolution =.false.; gotDimension =.false.; gotHomogenization = .false.
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@ -148,8 +147,7 @@ program mpie_spectral
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end select
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enddo ! count all identifiers to allocate memory and do sanity check
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if ((N_l /= N_s).or.(N_s /= N_t).or.(N_t /= N_n)) & ! sanity check
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call IO_error(46,ext_msg = path) !error message for incomplete input file
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call IO_error(46,ext_msg = path) ! error message for incomplete input file
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enddo
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! allocate memory depending on lines in input file
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@ -167,7 +165,7 @@ program mpie_spectral
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read(unit,'(a1024)',END = 200) line
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if (IO_isBlank(line)) cycle ! skip empty lines
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i = i + 1
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posInput = IO_stringPos(line,maxNchunksInput)
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posInput = IO_stringPos(line,maxNchunksInput) ! ToDo: Add error message for case that information is not complete
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do j = 1,maxNchunksInput,2
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select case (IO_lc(IO_stringValue(line,posInput,j)))
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case('l','velocitygrad')
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@ -215,7 +213,7 @@ program mpie_spectral
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do
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read(unit,'(a1024)',END = 100) line
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if (IO_isBlank(line)) cycle ! skip empty lines
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posMesh = IO_stringPos(line,maxNchunksMesh)
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posMesh = IO_stringPos(line,maxNchunksMesh)
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select case ( IO_lc(IO_StringValue(line,posMesh,1)) )
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case ('dimension')
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@ -253,18 +251,16 @@ program mpie_spectral
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print '(a,/,i4,i4,i4)','resolution a b c', resolution
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print '(a,/,f6.1,f6.1,f6.1)','dimension x y z', meshdimension
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print *,'homogenization',homog
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print *, ''
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allocate (workfft(resolution(1)/2+1,resolution(2),resolution(3),3,3)); workfft = 0.0_pReal
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allocate (gamma_hat(resolution(1)/2+1,resolution(2),resolution(3),3,3,3,3)); gamma_hat = 0.0_pReal
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allocate (xi(resolution(1)/2+1,resolution(2),resolution(3),3)); xi = 0.0_pReal
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allocate (pstress_field(resolution(1),resolution(2),resolution(3),3,3)); pstress_field = 0.0_pReal
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allocate (cstress_field(resolution(1),resolution(2),resolution(3),3,3)); cstress_field = 0.0_pReal
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allocate (displacement(resolution(1),resolution(2),resolution(3),3)); displacement = 0.0_pReal
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allocate (defgrad(resolution(1),resolution(2),resolution(3),3,3)); defgrad = 0.0_pReal
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allocate (defgradold(resolution(1),resolution(2),resolution(3),3,3)); defgradold = 0.0_pReal
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allocate (ddefgrad(resolution(1),resolution(2),resolution(3))); ddefgrad = 0.0_pReal
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allocate (displacement(resolution(1),resolution(2),resolution(3),3)); displacement = 0.0_pReal
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! Initialization of fftw (see manual on fftw.org for more details)
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call dfftw_init_threads(ierr)
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call dfftw_plan_with_nthreads(4)
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@ -274,7 +270,7 @@ program mpie_spectral
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call dfftw_plan_dft_c2r_3d(plan_fft(2,m,n),resolution(1),resolution(2),resolution(3),&
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workfft(:,:,:,m,n), ddefgrad(:,:,:), FFTW_PATIENT)
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enddo; enddo
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prodnn = resolution(1)*resolution(2)*resolution(3)
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wgt = 1_pReal/real(prodnn, pReal)
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defgradAim = math_I3
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@ -325,6 +321,15 @@ program mpie_spectral
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enddo; enddo; enddo
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open(539,file='stress-strain.out')
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open(538,file='results.out') ! write header of output file
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path = getLoadcaseName()
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write(538,*), 'Loadcase: ',trim(path)
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write(538,*), 'Workingdir: ',trim(getSolverWorkingDirectoryName())
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path = getSolverJobName()
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write(538,*), 'JobName: ',trim(path)
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write(538,*), 'resolution a b c', resolution
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write(538,'(a,f6.1,f6.1,f6.1)'), 'dimension x y z', meshdimension
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write(538,*), 'materialpoint_sizeResults', materialpoint_sizeResults
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! Initialization done
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!*************************************************************
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@ -368,9 +373,10 @@ program mpie_spectral
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! convergence loop
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do while( iter <= itmax .and. &
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(err_div > err_div_tol .or. &
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err_stress > err_stress_tol))
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err_stress > err_stress_tol .or. &
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err_defgrad > err_defgrad_tol))
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iter = iter + 1
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print '(A,I5.5,tr2,A,I5.5)', ' Step = ',steps,'Iteration = ',iter
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print '(3(A,I5.5,tr2))', ' Loadcase = ',loadcase, ' Step = ',steps,'Iteration = ',iter
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!*************************************************************
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! adjust defgrad to fulfill BCs
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@ -425,10 +431,10 @@ program mpie_spectral
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enddo; enddo
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err_div = 2 * err_div_tol
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err_defgrad = maxval(abs(mask_defgrad * (defgrad_av - defgradAim)))
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print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient: ',defgrad_av(1:3,:)
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print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient: ',defgrad_av(1:3,:)
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print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress [MPa]: ',cstress_av(1:3,:)/1.e6
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print '(a,E8.2)', ' error defgrad ',err_defgrad
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print '(2(a,E8.2))', ' error stress ',err_stress,' Tol. = ', err_stress_tol*0.8
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print '(2(a,E8.2))', ' error stress ',err_stress,' Tol. = ', err_stress_tol
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print '(2(a,E8.2))', ' error deformation gradient ',err_defgrad,' Tol. = ', err_defgrad_tol*0.8
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if(err_stress < err_stress_tol*0.8) then
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calcmode = 1
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endif
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@ -481,24 +487,32 @@ program mpie_spectral
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defgrad_av(m,n) = sum(defgrad(:,:,:,m,n))*wgt
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defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (defgradAim(m,n) - defgrad_av(m,n)) !anticipated target minus current state
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enddo; enddo
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err_stress = maxval(abs(mask_stress * (pstress_av - bc_stress(:,:,loadcase))))
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err_stress_tol = maxval(abs(pstress_av))*err_stress_tolrel !accecpt relativ error specified
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print '(2(a,E8.2))', ' error divergence ',err_div,' Tol. = ', err_div_tol
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print '(2(a,E8.2))', ' error stress ',err_stress,' Tol. = ', err_stress_tol
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if(err_stress > err_stress_tol .and. err_div < err_div_tol) then ! change to calculation of BCs, reset damper etc.
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err_defgrad = maxval(abs(mask_defgrad * (defgrad_av - defgradAim)))
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print '(2(a,E8.2))', ' error divergence ',err_div,' Tol. = ', err_div_tol
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print '(2(a,E8.2))', ' error stress ',err_stress,' Tol. = ', err_stress_tol
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print '(2(a,E8.2))', ' error deformation gradient ',err_defgrad,' Tol. = ', err_defgrad_tol
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if(err_stress > err_stress_tol .or. err_defgrad > err_defgrad_tol .and. err_div < err_div_tol) then ! change to calculation of BCs, reset damper etc.
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calcmode = 0
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defgradAimCorr = 0.0_pReal
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damper = damper * 0.9_pReal
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endif
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end select
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enddo ! end looping when convergency is achieved
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write(539,'(E12.6,a,E12.6)'),defgrad_av(3,3)-1,' ', cstress_av(3,3)
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print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient: ',defgrad_av(1:3,:)
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print *, ''
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print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress [MPa]: ',cstress_av(1:3,:)/1.e6
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do i=1, prodnn !write to output file
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write(538,*) materialpoint_results(:,1,i)
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enddo
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write(539,'(E12.6,a,E12.6)'),log(defgrad_av(3,3)),' ', cstress_av(3,3)
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print '(a,x,f12.7)' ,' Determinant of Deformation Aim:', math_det3x3(defgradAim)
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print '(a,/,3(3(f12.7,x)/))', ' Deformation Aim: ',defgradAim(1:3,:)
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print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient: ',defgrad_av(1:3,:)
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print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress [MPa]: ',cstress_av(1:3,:)/1.e6
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print '(A)', '************************************************************'
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! Postprocessing (gsmh output)
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@ -526,9 +540,9 @@ program mpie_spectral
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endif
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enddo; enddo; enddo
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write(nriter, *) iter; write(nrstep, *) steps
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open(589,file = 'stress' //trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh')
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open(588,file = 'disgrad'//trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh')
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write(nrloadcase, *) loadcase; write(nriter, *) iter; write(nrstep, *) steps
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open(589,file = 'stress' //trim(adjustl(nrloadcase))//'-'//trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh')
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open(588,file = 'disgrad'//trim(adjustl(nrloadcase))//'-'//trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh')
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write(589, '(4(A, /), I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', prodnn
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write(588, '(4(A, /), I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', prodnn
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@ -537,7 +551,7 @@ program mpie_spectral
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ielem = ielem + 1
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write(589, '(I10, 3(tr2, E12.6))'), ielem, displacement(i,j,k,:) !for deformed configuration
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write(588, '(I10, 3(tr2, E12.6))'), ielem, displacement(i,j,k,:)
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! write(589, '(4(I10,tr2))'), ielem, i-1,j-1,k-1 !for undeformed configuration
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! write(589, '(4(I10,tr2))'), ielem, i-1,j-1,k-1 !for undeformed configuration
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! write(588, '(4(I10,tr2))'), ielem, i-1,j-1,k-1
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enddo; enddo; enddo
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@ -551,11 +565,10 @@ program mpie_spectral
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write(589, '(A)'), '$EndElements'
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write(588, '(A)'), '$EndElements'
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write(589, '(8(A, /), I10)'), '$NodeData', '1','"'//trim(adjustl('stress'//trim(adjustl(nrstep))//&
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'-'//trim(adjustl(nriter))//'_cpfem.msh'))//'"','1','0.0', '3', '0', '9', prodnn
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write(588, '(8(A, /), I10)'), '$NodeData', '1','"'//trim(adjustl('disgrad'//trim(adjustl(nrstep))//&
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'-'//trim(adjustl(nriter))//'_cpfem.msh'))//'"','1','0.0', '3', '0', '9', prodnn
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write(589, '(8(A, /), I10)'), '$NodeData', '1','"'//trim(adjustl('stress'//trim(adjustl(nrloadcase))//'-'//&
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trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh'))//'"','1','0.0', '3', '0', '9', prodnn
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write(588, '(8(A, /), I10)'), '$NodeData', '1','"'//trim(adjustl('disgrad'//trim(adjustl(nrloadcase))//'-'//&
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trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh'))//'"','1','0.0', '3', '0', '9', prodnn
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ielem = 0_pInt
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do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
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ielem = ielem + 1
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@ -568,7 +581,7 @@ program mpie_spectral
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close(589); close(588)
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enddo ! end looping over steps in current loadcase
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enddo ! end looping over loadcases
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close(539)
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close(539); close(538)
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do i=1,2; do m = 1,3; do n = 1,3
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call dfftw_destroy_plan(plan_fft(i,m,n))
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