important bugfix for reading in results in case of restart
This commit is contained in:
Martin Diehl
parent
75e20dffb7
commit
dc6c29a910
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@ -53,7 +53,7 @@ program DAMASK_spectral
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use mesh, only: mesh_ipCenterOfGravity
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use CPFEM, only: CPFEM_general, CPFEM_initAll
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use FEsolving, only: restartWrite, restartReadSpectral, restartReadStep
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use numerics, only: err_div_tol, err_stress_tol, err_stress_tolrel , rotation_tol,&
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use numerics, only: err_div_tol, err_stress_tolrel , rotation_tol,&
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itmax, memory_efficient, DAMASK_NumThreadsInt, divergence_correction, &
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fftw_planner_flag, fftw_timelimit
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use homogenization, only: materialpoint_sizeResults, materialpoint_results
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@ -129,14 +129,14 @@ program DAMASK_spectral
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! loop variables, convergence etc.
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real(pReal) :: time = 0.0_pReal, time0 = 0.0_pReal, timeinc ! elapsed time, begin of interval, time interval
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real(pReal) :: guessmode, err_div, err_stress, p_hat_avg
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real(pReal) :: guessmode, err_div, err_stress, err_stress_tol, p_hat_avg
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complex(pReal), parameter :: img = cmplx(0.0_pReal,1.0_pReal)
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real(pReal), dimension(3,3), parameter :: ones = 1.0_pReal, zeroes = 0.0_pReal
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complex(pReal), dimension(3,3) :: temp33_Complex
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real(pReal), dimension(3,3) :: temp33_Real
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integer(pInt) :: i, j, k, l, m, n, p
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integer(pInt) :: N_Loadcases, loadcase, step, iter, ielem, CPFEM_mode, stepZero=1_pInt, &
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ierr, notConvergedCounter = 0_pInt, totalStepsCounter = 0_pInt
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integer(pInt) :: N_Loadcases, loadcase, step, iter, ielem, CPFEM_mode, &
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ierr, notConvergedCounter = 0_pInt, totalStepsCounter = 0_pInt
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logical :: errmatinv, regrid = .false.
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real(pReal) :: defgradDet, defgradDetMax, defgradDetMin
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real(pReal) :: correctionFactor
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@ -146,16 +146,13 @@ program DAMASK_spectral
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real(pReal) :: p_real_avg, err_div_max, err_real_div_avg, err_real_div_max
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logical :: debugGeneral = .false., debugDivergence = .false., debugRestart = .false.
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!Initializing
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!$ call omp_set_num_threads(DAMASK_NumThreadsInt) ! set number of threads for parallel execution set by DAMASK_NUM_THREADS
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if (.not.(command_argument_count()==4 .or. command_argument_count()==6)) call IO_error(error_ID=102_pInt) ! check for correct number of given arguments
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! Initializing model size independed parameters
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!$ call omp_set_num_threads(DAMASK_NumThreadsInt) ! set number of threads for parallel execution set by DAMASK_NUM_THREADS
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if (.not.(command_argument_count()==4 .or. command_argument_count()==6)) &! check for correct number of given arguments
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call IO_error(error_ID=102_pInt)
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call DAMASK_interface_init()
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if (iand(spectral_debug_verbosity,1_pInt)==1_pInt) debugGeneral = .true.
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if (iand(spectral_debug_verbosity,2_pInt)==2_pInt) debugDivergence = .true.
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if (iand(spectral_debug_verbosity,4_pInt)==4_pInt) debugRestart = .true.
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!$OMP CRITICAL (write2out)
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print '(a)', ''
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print '(a,a)', ' <<<+- DAMASK_spectral init -+>>>'
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@ -166,7 +163,7 @@ program DAMASK_spectral
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print '(a)', ''
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!$OMP END CRITICAL (write2out)
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! Reading the loadcase file and allocate variables
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! Reading the loadcase file and allocate variables for loadcases
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path = getLoadcaseName()
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if (.not. IO_open_file(myUnit,path)) call IO_error(error_ID=30_pInt,ext_msg = trim(path))
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rewind(myUnit)
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@ -194,6 +191,7 @@ program DAMASK_spectral
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allocate (bc(N_Loadcases))
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! Reading the loadcase and assign values to the allocated data structure
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rewind(myUnit)
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loadcase = 0_pInt
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do
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@ -269,8 +267,8 @@ program DAMASK_spectral
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101 close(myUnit)
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!read header of geom file to get the information needed before the complete geom file is intepretated by mesh.f90
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path = getModelName()
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if (.not. IO_open_file(myUnit,trim(path)//InputFileExtension))&
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call IO_error(error_ID=101_pInt,ext_msg = trim(path)//InputFileExtension)
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rewind(myUnit)
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@ -326,10 +324,15 @@ program DAMASK_spectral
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mod(resolution(2),2_pInt)/=0_pInt .or.&
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(mod(resolution(3),2_pInt)/=0_pInt .and. resolution(3)/= 1_pInt)) call IO_error(error_ID=103_pInt)
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! Initialization of CPFEM_general (= constitutive law) and of deformation gradient field
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! Initialization of CPFEM_general (= constitutive law)
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call CPFEM_initAll(bc(1)%temperature,1_pInt,1_pInt)
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!Output of geom file
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! Get debugging parameters
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if (iand(spectral_debug_verbosity,1_pInt)==1_pInt) debugGeneral = .true.
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if (iand(spectral_debug_verbosity,2_pInt)==2_pInt) debugDivergence = .true.
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if (iand(spectral_debug_verbosity,4_pInt)==4_pInt) debugRestart = .true.
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!Output of geometry
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!$OMP CRITICAL (write2out)
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print '(a)', ''
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print '(a)', '#############################################################'
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@ -350,7 +353,8 @@ program DAMASK_spectral
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call IO_warning(warning_ID=33_pInt) ! cannot guess along trajectory for first step of first loadcase
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bc(1)%followFormerTrajectory = .false.
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endif
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! consistency checks and output of loadcase
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! consistency checks and output of loadcase
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do loadcase = 1_pInt, N_Loadcases
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!$OMP CRITICAL (write2out)
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print '(a)', '============================================================='
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@ -418,9 +422,7 @@ program DAMASK_spectral
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call dfftw_plan_with_nthreads(DAMASK_NumThreadsInt)
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endif
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#endif
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!call dfftw_timelimit(fftw_timelimit) !is not working, have to fix it in FFTW source file
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!call dfftw_timelimit(fftw_timelimit) ! is not working, have to fix it in FFTW source file
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select case(IO_lc(fftw_planner_flag)) ! setting parameters for the plan creation of FFTW. Basically a translation from fftw3.f
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case('estimate','fftw_estimate') ! ordered from slow execution (but fast plan creation) to fast execution
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fftw_flag = 64
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@ -434,53 +436,11 @@ program DAMASK_spectral
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call IO_warning(warning_ID=47_pInt,ext_msg=trim(IO_lc(fftw_planner_flag)))
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fftw_flag = 32
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end select
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if (.not. restartReadSpectral) then ! start at first step of first loadcase
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loadcase = 1_pInt
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step = 1_pInt
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else ! going forwarnd and use old values
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do i = 1_pInt, N_Loadcases ! looping over ALL loadcases
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time0 = time ! loadcase start time
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timeinc = bc(i)%timeIncrement/bc(i)%steps ! only valid for given linear time scale. will be overwritten later in case loglinear scale is used
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do j = 1_pInt, bc(i)%steps ! looping over ALL steps in current loadcase
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if (totalStepsCounter < restartReadStep) then ! forwarding to restart step
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totalStepsCounter = totalStepsCounter + 1_pInt
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if (bc(i)%logscale == 1_pInt) then ! loglinear scale
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if (i == 1_pInt) then ! 1st loadcase of loglinear scale
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if (j == 1_pInt) then ! 1st step of 1st loadcase of loglinear scale
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timeinc = bc(1)%timeIncrement*(2.0_pReal**real( 1_pInt-bc(1)%steps ,pReal)) ! assume 1st step is equal to 2nd
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else ! not-1st step of 1st loadcase of loglinear scale
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timeinc = bc(1)%timeIncrement*(2.0_pReal**real(j-1_pInt-bc(1)%steps ,pReal))
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endif
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else ! not-1st loadcase of loglinear scale
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timeinc = time0 *( (1.0_pReal + bc(i)%timeIncrement/time0 )**real( j/bc(i)%steps ,pReal) &
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-(1.0_pReal + bc(i)%timeIncrement/time0 )**real( (j-1_pInt)/bc(i)%steps ,pReal) ) !ToDo: correct? how should the float casting be done
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endif
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endif
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time = time + timeinc
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endif
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enddo
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enddo
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do i = 1_pInt, N_Loadcases ! looping over ALL loadcases
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do j = 1_pInt, bc(i)%steps ! looping over ALL steps in current loadcase
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if (totalStepsCounter -1_pInt < restartReadStep) then ! forwarding to restart step
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step = j
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loadcase = i
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endif
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enddo
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enddo
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endif
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print*, totalStepsCounter
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print*, loadcase
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print*, step
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pause
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!*************************************************************
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! Loop over loadcases defined in the loadcase file
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do loadcase = loadcase, N_Loadcases
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do loadcase = 1_pInt, N_Loadcases
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!*************************************************************
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time0 = time ! loadcase start time
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if (bc(loadcase)%followFormerTrajectory) then ! continue to guess along former trajectory where applicable
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guessmode = 1.0_pReal
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else
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@ -495,428 +455,434 @@ pause
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timeinc = bc(loadcase)%timeIncrement/bc(loadcase)%steps ! only valid for given linear time scale. will be overwritten later in case loglinear scale is used
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fDot = bc(loadcase)%deformation ! only valid for given fDot. will be overwritten later in case L is given
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!*************************************************************
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! loop oper steps defined in input file for current loadcase
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do step = step, bc(loadcase)%steps
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do step = 1_pInt, bc(loadcase)%steps
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!*************************************************************
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! forwarding time
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if (bc(loadcase)%logscale == 1_pInt) then ! loglinear scale
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if (loadcase == 1_pInt) then ! 1st loadcase of loglinear scale
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if (step == 1_pInt) then ! 1st step of 1st loadcase of loglinear scale
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timeinc = bc(1)%timeIncrement*(2.0_pReal**real( 1_pInt-bc(1)%steps ,pReal)) ! assume 1st step is equal to 2nd
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else ! not-1st step of 1st loadcase of loglinear scale
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timeinc = bc(1)%timeIncrement*(2.0_pReal**real(step-1_pInt-bc(1)%steps ,pReal))
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endif
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else ! not-1st loadcase of loglinear scale
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timeinc = time0 *( (1.0_pReal + bc(loadcase)%timeIncrement/time0 )**real( step/bc(loadcase)%steps ,pReal) &
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-(1.0_pReal + bc(loadcase)%timeIncrement/time0 )**real( (step-1_pInt)/bc(loadcase)%steps ,pReal) )
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endif
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endif
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time = time + timeinc
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totalStepsCounter = totalStepsCounter + 1_pInt
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!*************************************************************
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! Initialization Start
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!*************************************************************
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if(stepZero==1_pInt) then ! we start
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stepZero = 0_pInt
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if (regrid==.true. ) then ! 'real' start vs. regrid start
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call dfftw_destroy_plan(fftw_plan(1)); call dfftw_destroy_plan(fftw_plan(2))
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if(debugDivergence) call dfftw_destroy_plan(fftw_plan(3))
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deallocate (defgrad)
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deallocate (defgradold)
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deallocate (coordinates)
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deallocate (temperature)
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deallocate (xi)
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deallocate (workfft)
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! here we have to create the new geometry and assign the values from the previous step
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endif
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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 (coordinates(3,resolution(1),resolution(2),resolution(3))); coordinates = 0.0_pReal
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allocate (temperature( resolution(1),resolution(2),resolution(3))); temperature = bc(1)%temperature ! start out isothermally
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allocate (xi (3,resolution(1)/2+1,resolution(2),resolution(3))); xi =0.0_pReal
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allocate (workfft(resolution(1)+2,resolution(2),resolution(3),3,3)); workfft = 0.0_pReal
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if (debugDivergence) allocate (divergence(resolution(1)+2,resolution(2),resolution(3),3)); divergence = 0.0_pReal
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if(totalStepsCounter >= restartReadStep) then ! Do calculations (otherwise just forwarding)
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if (regrid==.true. ) then ! 'DeInitialize' the values changing in case of regridding
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regrid = .false.
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call dfftw_destroy_plan(fftw_plan(1)); call dfftw_destroy_plan(fftw_plan(2))
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if(debugDivergence) call dfftw_destroy_plan(fftw_plan(3))
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deallocate (defgrad)
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deallocate (defgradold)
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deallocate (coordinates)
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deallocate (temperature)
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deallocate (xi)
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deallocate (workfft)
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!ToDo: here we have to create the new geometry and assign the values from the previous step
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endif
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if(totalStepsCounter == restartReadStep) then ! Initialize values
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guessmode = 0.0_pReal ! change of load case, homogeneous guess for the first step
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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 (coordinates(3,resolution(1),resolution(2),resolution(3))); coordinates = 0.0_pReal
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allocate (temperature( resolution(1),resolution(2),resolution(3))); temperature = bc(1)%temperature ! start out isothermally
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allocate (xi (3,resolution(1)/2+1,resolution(2),resolution(3))); xi =0.0_pReal
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allocate (workfft(resolution(1)+2,resolution(2),resolution(3),3,3)); workfft = 0.0_pReal
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if (debugDivergence) allocate (divergence(resolution(1)+2,resolution(2),resolution(3),3)); divergence = 0.0_pReal
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wgt = 1.0_pReal/real(resolution(1)*resolution(2)*resolution(3), pReal)
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call dfftw_plan_many_dft_r2c(fftw_plan(1),3,(/resolution(1),resolution(2),resolution(3)/),9,&
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workfft,(/resolution(1) +2_pInt,resolution(2),resolution(3)/),1,(resolution(1) +2_pInt)*resolution(2)*resolution(3),&
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workfft,(/resolution(1)/2_pInt+1_pInt,resolution(2),resolution(3)/),1,(resolution(1)/2_pInt+1_pInt)*resolution(2)*resolution(3),fftw_flag)
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call dfftw_plan_many_dft_c2r(fftw_plan(2),3,(/resolution(1),resolution(2),resolution(3)/),9,&
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workfft,(/resolution(1)/2_pInt+1_pInt,resolution(2),resolution(3)/),1,(resolution(1)/2_pInt+1_pInt)*resolution(2)*resolution(3),&
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workfft,(/resolution(1) +2_pInt,resolution(2),resolution(3)/),1,(resolution(1) +2_pInt)*resolution(2)*resolution(3),fftw_flag)
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if (debugDivergence ) &
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call dfftw_plan_many_dft_c2r(fftw_plan(3),3,(/resolution(1),resolution(2),resolution(3)/),3,&
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divergence,(/resolution(1)/2_pInt+1_pInt,resolution(2),resolution(3)/),1,(resolution(1)/2_pInt+1_pInt)*resolution(2)*resolution(3),&
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divergence,(/resolution(1) +2_pInt,resolution(2),resolution(3)/),1,(resolution(1) +2_pInt)*resolution(2)*resolution(3),fftw_flag)
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if (debugGeneral) then
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!$OMP CRITICAL (write2out)
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write (6,*) 'FFTW initialized'
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!$OMP END CRITICAL (write2out)
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endif
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if (restartReadStep==1_pInt) then ! no deformation at the beginning
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do k = 1_pInt, resolution(3); do j = 1_pInt, resolution(2); do i = 1_pInt, resolution(1)
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defgrad(i,j,k,1:3,1:3) = math_I3
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defgradold(i,j,k,1:3,1:3) = math_I3
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enddo; enddo; enddo
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else ! using old values
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if (IO_read_jobBinaryFile(777,'convergedSpectralDefgrad',trim(getSolverJobName()),size(defgrad))) then
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read (777,rec=1) defgrad
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close (777)
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endif
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defgradold = defgrad
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defgradAim = 0.0_pReal
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do k = 1_pInt, resolution(3); do j = 1_pInt, resolution(2); do i = 1_pInt, resolution(1)
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defgradAim = defgradAim + defgrad(i,j,k,1:3,1:3) ! calculating old average deformation
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enddo; enddo; enddo
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defgradAim = defgradAim * wgt
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defgradAimOld = defgradAim
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guessmode=0.0_pInt
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endif
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ielem = 0_pInt
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do k = 1_pInt, resolution(3); do j = 1_pInt, resolution(2); do i = 1_pInt, resolution(1)
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ielem = ielem + 1_pInt
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coordinates(1:3,i,j,k) = mesh_ipCenterOfGravity(1:3,1,ielem) ! set to initial coordinates ToDo: SHOULD BE UPDATED TO CURRENT POSITION IN FUTURE REVISIONS!!! But do we know them? I don't think so. Otherwise we don't need geometry reconstruction
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call CPFEM_general(2_pInt,coordinates(1:3,i,j,k),math_I3,math_I3,temperature(i,j,k),0.0_pReal,ielem,1_pInt,cstress,dsde,pstress,dPdF)
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c_current = c_current + dPdF
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enddo; enddo; enddo
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c0_reference = c_current * wgt ! linear reference material stiffness
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c_prev = math_rotate_forward3x3x3x3(c0_reference,bc(loadcase)%rotation) ! rotate_forward: lab -> load system
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if (debugGeneral) then
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!$OMP CRITICAL (write2out)
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write (6,*) 'First Call to CPFEM_general finished'
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!$OMP END CRITICAL (write2out)
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endif
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do k = 1_pInt, resolution(3) ! calculation of discrete angular frequencies, ordered as in FFTW (wrap around)
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k_s(3) = k - 1_pInt
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if(k > resolution(3)/2_pInt + 1_pInt) k_s(3) = k_s(3) - resolution(3)
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do j = 1_pInt, resolution(2)
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k_s(2) = j - 1_pInt
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if(j > resolution(2)/2_pInt + 1_pInt) k_s(2) = k_s(2) - resolution(2)
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do i = 1, resolution(1)/2_pInt + 1_pInt
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k_s(1) = i - 1_pInt
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xi(3,i,j,k) = 0.0_pReal ! 2D case
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if(resolution(3) > 1_pInt) xi(3,i,j,k) = real(k_s(3), pReal)/geomdimension(3) ! 3D case
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xi(2,i,j,k) = real(k_s(2), pReal)/geomdimension(2)
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xi(1,i,j,k) = real(k_s(1), pReal)/geomdimension(1)
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enddo; enddo; enddo
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! remove highest frequencies for calculation of divergence (CAREFULL, they will be used for pre calculatet gamma operator!)
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do k = 1_pInt ,resolution(3); do j = 1_pInt ,resolution(2); do i = 1_pInt,resolution(1)/2_pInt + 1_pInt
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if(k==resolution(3)/2_pInt+1_pInt) xi(3,i,j,k)= 0.0_pReal
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if(j==resolution(2)/2_pInt+1_pInt) xi(2,i,j,k)= 0.0_pReal
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if(i==resolution(1)/2_pInt+1_pInt) xi(1,i,j,k)= 0.0_pReal
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enddo; enddo; enddo
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if(memory_efficient) then ! allocate just single fourth order tensor
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allocate (gamma_hat(1,1,1,3,3,3,3)); gamma_hat = 0.0_pReal
|
||||
else ! precalculation of gamma_hat field
|
||||
allocate (gamma_hat(resolution(1)/2_pInt + 1_pInt ,resolution(2),resolution(3),3,3,3,3)); gamma_hat = 0.0_pReal
|
||||
do k = 1_pInt, resolution(3); do j = 1_pInt, resolution(2); do i = 1_pInt, resolution(1)/2_pInt + 1_pInt
|
||||
if (any(xi(:,i,j,k) /= 0.0_pReal)) then
|
||||
do l = 1_pInt ,3_pInt; do m = 1_pInt,3_pInt
|
||||
xiDyad(l,m) = xi(l,i,j,k)*xi(m,i,j,k)
|
||||
enddo; enddo
|
||||
temp33_Real = math_inv3x3(math_mul3333xx33(c0_reference, xiDyad))
|
||||
else
|
||||
xiDyad = 0.0_pReal
|
||||
temp33_Real = 0.0_pReal
|
||||
endif
|
||||
do l=1_pInt,3_pInt; do m=1_pInt,3_pInt; do n=1_pInt,3_pInt; do p=1_pInt,3_pInt
|
||||
gamma_hat(i,j,k, l,m,n,p) = - 0.25*(temp33_Real(l,n)+temp33_Real(n,l)) *&
|
||||
(xiDyad(m,p)+xiDyad(p,m))
|
||||
enddo; enddo; enddo; enddo
|
||||
enddo; enddo; enddo
|
||||
endif
|
||||
|
||||
! write header of output file
|
||||
!$OMP CRITICAL (write2out)
|
||||
open(538,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())&
|
||||
//'.spectralOut',form='UNFORMATTED',status='REPLACE')
|
||||
write(538), 'load', trim(getLoadcaseName())
|
||||
write(538), 'workingdir', trim(getSolverWorkingDirectoryName())
|
||||
write(538), 'geometry', trim(getSolverJobName())//InputFileExtension
|
||||
write(538), 'resolution', resolution
|
||||
write(538), 'dimension', geomdimension
|
||||
write(538), 'materialpoint_sizeResults', materialpoint_sizeResults
|
||||
write(538), 'loadcases', N_Loadcases
|
||||
write(538), 'logscale', bc(1:N_Loadcases)%logscale ! one entry per loadcase (0: linear, 1: log)
|
||||
write(538), 'frequencies', bc(1:N_Loadcases)%outputfrequency ! one entry per loadcase
|
||||
write(538), 'times', bc(1:N_Loadcases)%timeIncrement ! one entry per loadcase
|
||||
bc(1)%steps= bc(1)%steps + 1_pInt
|
||||
write(538), 'increments', bc(1:N_Loadcases)%steps ! one entry per loadcase ToDo: rename keyword to steps
|
||||
bc(1)%steps= bc(1)%steps - 1_pInt
|
||||
write(538), 'startingIncrement', restartReadStep -1_pInt ! start with writing out the previous step
|
||||
write(538), 'eoh' ! end of header
|
||||
write(538), materialpoint_results(:,1,:) ! initial (non-deformed) results !ToDo: define array size
|
||||
!$OMP END CRITICAL (write2out)
|
||||
endif
|
||||
!*************************************************************
|
||||
! Initialization End
|
||||
!*************************************************************
|
||||
|
||||
if (mod(step - 1_pInt,bc(loadcase)%restartFrequency)==0_pInt) then ! at frequency of writing restart information
|
||||
restartWrite = .true. ! setting restart parameter for FEsolving (first call to CPFEM_general will write ToDo: true?)
|
||||
else
|
||||
restartWrite = .false.
|
||||
endif
|
||||
|
||||
if (bc(loadcase)%velGradApplied) & ! calculate fDot from given L and current F
|
||||
fDot = math_mul33x33(bc(loadcase)%deformation, defgradAim)
|
||||
|
||||
!winding forward of deformation aim in loadcase system
|
||||
temp33_Real = defgradAim
|
||||
defgradAim = defgradAim &
|
||||
+ guessmode * mask_stress * (defgradAim - defgradAimOld) &
|
||||
+ mask_defgrad * fDot * timeinc
|
||||
defgradAimOld = temp33_Real
|
||||
|
||||
! update local deformation gradient
|
||||
if (any(bc(loadcase)%rotation/=math_I3)) then ! lab and loadcase coordinate system are NOT the same
|
||||
do k = 1_pInt, resolution(3); do j = 1_pInt, resolution(2); do i = 1_pInt, resolution(1)
|
||||
temp33_Real = defgrad(i,j,k,1:3,1:3)
|
||||
if (bc(loadcase)%velGradApplied) & ! use velocity gradient to calculate new deformation gradient (if not guessing)
|
||||
fDot = math_mul33x33(bc(loadcase)%deformation,&
|
||||
math_rotate_forward3x3(defgradold(i,j,k,1:3,1:3),bc(loadcase)%rotation))
|
||||
defgrad(i,j,k,1:3,1:3) = defgrad(i,j,k,1:3,1:3) & ! decide if guessing along former trajectory or apply homogeneous addon
|
||||
+ guessmode * (defgrad(i,j,k,1:3,1:3) - defgradold(i,j,k,1:3,1:3))& ! guessing...
|
||||
+ math_rotate_backward3x3((1.0_pReal-guessmode) * mask_defgrad * fDot,&
|
||||
bc(loadcase)%rotation) *timeinc ! apply the prescribed value where deformation is given if not guessing
|
||||
defgradold(i,j,k,1:3,1:3) = temp33_Real
|
||||
enddo; enddo; enddo
|
||||
else ! one coordinate system for lab and loadcase, save some multiplications
|
||||
do k = 1_pInt, resolution(3); do j = 1_pInt, resolution(2); do i = 1_pInt, resolution(1)
|
||||
temp33_Real = defgrad(i,j,k,1:3,1:3)
|
||||
if (bc(loadcase)%velGradApplied) & ! use velocity gradient to calculate new deformation gradient (if not guessing)
|
||||
fDot = math_mul33x33(bc(loadcase)%deformation,defgradold(i,j,k,1:3,1:3))
|
||||
defgrad(i,j,k,1:3,1:3) = defgrad(i,j,k,1:3,1:3) & ! decide if guessing along former trajectory or apply homogeneous addon
|
||||
+ guessmode * (defgrad(i,j,k,1:3,1:3) - defgradold(i,j,k,1:3,1:3))& ! guessing...
|
||||
+ (1.0_pReal-guessmode) * mask_defgrad * fDot * timeinc ! apply the prescribed value where deformation is given if not guessing
|
||||
defgradold(i,j,k,1:3,1:3) = temp33_Real
|
||||
enddo; enddo; enddo
|
||||
endif
|
||||
guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase
|
||||
|
||||
CPFEM_mode = 1_pInt ! winding forward
|
||||
iter = 0_pInt
|
||||
err_div = 2.0_pReal * err_div_tol ! go into loop
|
||||
|
||||
if(size_reduced > 0_pInt) then ! calculate compliance in case stress BC is applied
|
||||
c_prev99 = math_Plain3333to99(c_prev)
|
||||
k = 0_pInt ! build reduced stiffness
|
||||
do n = 1_pInt,9_pInt
|
||||
if(bc(loadcase)%maskStressVector(n)) then
|
||||
k = k + 1_pInt
|
||||
j = 0_pInt
|
||||
do m = 1_pInt,9_pInt
|
||||
if(bc(loadcase)%maskStressVector(m)) then
|
||||
j = j + 1_pInt
|
||||
c_reduced(k,j) = c_prev99(n,m)
|
||||
endif; enddo; endif; enddo
|
||||
call math_invert(size_reduced, c_reduced, s_reduced, i, errmatinv) ! invert reduced stiffness
|
||||
if(errmatinv) call IO_error(error_ID=800)
|
||||
s_prev99 = 0.0_pReal ! build full compliance
|
||||
k = 0_pInt
|
||||
do n = 1_pInt,9_pInt
|
||||
if(bc(loadcase)%maskStressVector(n)) then
|
||||
k = k + 1_pInt
|
||||
j = 0_pInt
|
||||
do m = 1_pInt,9_pInt
|
||||
if(bc(loadcase)%maskStressVector(m)) then
|
||||
j = j + 1_pInt
|
||||
s_prev99(n,m) = s_reduced(k,j)
|
||||
endif; enddo; endif; enddo
|
||||
s_prev = (math_Plain99to3333(s_prev99))
|
||||
endif
|
||||
|
||||
wgt = 1.0_pReal/real(resolution(1)*resolution(2)*resolution(3), pReal)
|
||||
call dfftw_plan_many_dft_r2c(fftw_plan(1),3,(/resolution(1),resolution(2),resolution(3)/),9,&
|
||||
workfft,(/resolution(1) +2_pInt,resolution(2),resolution(3)/),1,(resolution(1) +2_pInt)*resolution(2)*resolution(3),&
|
||||
workfft,(/resolution(1)/2_pInt+1_pInt,resolution(2),resolution(3)/),1,(resolution(1)/2_pInt+1_pInt)*resolution(2)*resolution(3),fftw_flag)
|
||||
call dfftw_plan_many_dft_c2r(fftw_plan(2),3,(/resolution(1),resolution(2),resolution(3)/),9,&
|
||||
workfft,(/resolution(1)/2_pInt+1_pInt,resolution(2),resolution(3)/),1,(resolution(1)/2_pInt+1_pInt)*resolution(2)*resolution(3),&
|
||||
workfft,(/resolution(1) +2_pInt,resolution(2),resolution(3)/),1,(resolution(1) +2_pInt)*resolution(2)*resolution(3),fftw_flag)
|
||||
if (debugDivergence ) &
|
||||
call dfftw_plan_many_dft_c2r(fftw_plan(3),3,(/resolution(1),resolution(2),resolution(3)/),3,&
|
||||
divergence,(/resolution(1)/2_pInt+1_pInt,resolution(2),resolution(3)/),1,(resolution(1)/2_pInt+1_pInt)*resolution(2)*resolution(3),&
|
||||
divergence,(/resolution(1) +2_pInt,resolution(2),resolution(3)/),1,(resolution(1) +2_pInt)*resolution(2)*resolution(3),fftw_flag)
|
||||
if (debugGeneral) then
|
||||
!$OMP CRITICAL (write2out)
|
||||
write (6,*) 'FFTW initialized'
|
||||
!$OMP END CRITICAL (write2out)
|
||||
endif
|
||||
|
||||
if (.not. restartReadSpectral) then ! no deformation at the beginning
|
||||
do k = 1_pInt, resolution(3); do j = 1_pInt, resolution(2); do i = 1_pInt, resolution(1)
|
||||
defgrad(i,j,k,1:3,1:3) = math_I3
|
||||
defgradold(i,j,k,1:3,1:3) = math_I3
|
||||
enddo; enddo; enddo
|
||||
else ! using old values
|
||||
if (IO_read_jobBinaryFile(777,'convergedSpectralDefgrad',trim(getModelName()),size(defgrad))) then
|
||||
read (777,rec=1) defgrad
|
||||
print '(a)', '#############################################################'
|
||||
print '(A,I5.5,A,es12.6)', 'Increment ', totalStepsCounter, ' Time ',time
|
||||
if (restartWrite ) then
|
||||
print '(A)', 'Writing converged Results of previous Step for Restart'
|
||||
if(IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(defgrad))) then ! and writing deformation gradient field to file
|
||||
write (777,rec=1) defgrad
|
||||
close (777)
|
||||
endif
|
||||
defgradold = defgrad
|
||||
defgradAim = 0.0_pReal
|
||||
do k = 1_pInt, resolution(3); do j = 1_pInt, resolution(2); do i = 1_pInt, resolution(1)
|
||||
defgradAim = defgradAim + defgrad(i,j,k,1:3,1:3) ! calculating old average deformation
|
||||
enddo; enddo; enddo
|
||||
defgradAim = defgradAim * wgt
|
||||
defgradAimOld = defgradAim
|
||||
endif
|
||||
|
||||
ielem = 0_pInt
|
||||
do k = 1_pInt, resolution(3); do j = 1_pInt, resolution(2); do i = 1_pInt, resolution(1)
|
||||
ielem = ielem + 1_pInt
|
||||
coordinates(1:3,i,j,k) = mesh_ipCenterOfGravity(1:3,1,ielem) ! set to initial coordinates ToDo: SHOULD BE UPDATED TO CURRENT POSITION IN FUTURE REVISIONS!!! But do we know them? I don't think so. Otherwise we don't need geometry reconstruction
|
||||
call CPFEM_general(2_pInt,coordinates(1:3,i,j,k),math_I3,math_I3,temperature(i,j,k),0.0_pReal,ielem,1_pInt,cstress,dsde,pstress,dPdF)
|
||||
c_current = c_current + dPdF
|
||||
enddo; enddo; enddo
|
||||
c0_reference = c_current * wgt ! linear reference material stiffness
|
||||
c_prev = math_rotate_forward3x3x3x3(c0_reference,bc(loadcase)%rotation) ! rotate_forward: lab -> load system
|
||||
|
||||
if (debugGeneral) then
|
||||
!$OMP CRITICAL (write2out)
|
||||
write (6,*) 'First Call to CPFEM_general finished'
|
||||
!$OMP END CRITICAL (write2out)
|
||||
endif
|
||||
!*************************************************************
|
||||
! convergence loop
|
||||
do while(iter < itmax .and. &
|
||||
(err_div > err_div_tol .or. &
|
||||
err_stress > err_stress_tol))
|
||||
iter = iter + 1_pInt
|
||||
!*************************************************************
|
||||
print '(a)', '============================================================='
|
||||
print '(5(A,I5.5))', 'Loadcase ',loadcase,' Step ',step,'/',bc(loadcase)%steps,'@Iteration ',iter,'/',itmax
|
||||
do n = 1_pInt,3_pInt; do m = 1_pInt,3_pInt
|
||||
defgrad_av(m,n) = sum(defgrad(1:resolution(1),1:resolution(2),1:resolution(3),m,n)) * wgt
|
||||
enddo; enddo
|
||||
!$OMP CRITICAL (write2out)
|
||||
print '(a,/,3(3(f12.7,x)/)\)', 'Deformation Gradient:',math_transpose3x3(defgrad_av)
|
||||
print '(A)', '... Update Stress Field (Constitutive Evaluation P(F)) ......'
|
||||
!$OMP END CRITICAL (write2out)
|
||||
ielem = 0_pInt
|
||||
defgradDetMax = -999.0_pReal
|
||||
defgradDetMin = 999.0_pReal
|
||||
do k = 1_pInt, resolution(3); do j = 1_pInt, resolution(2); do i = 1_pInt, resolution(1)
|
||||
defgradDet = math_det3x3(defgrad(i,j,k,1:3,1:3))
|
||||
defgradDetMax = max(defgradDetMax,defgradDet)
|
||||
defgradDetMin = min(defgradDetMin,defgradDet)
|
||||
ielem = ielem + 1_pInt
|
||||
call CPFEM_general(3_pInt,& ! collect cycle
|
||||
coordinates(1:3,i,j,k), defgradold(i,j,k,1:3,1:3), defgrad(i,j,k,1:3,1:3),&
|
||||
temperature(i,j,k),timeinc,ielem,1_pInt,&
|
||||
cstress,dsde, pstress, dPdF)
|
||||
enddo; enddo; enddo
|
||||
|
||||
do k = 1_pInt, resolution(3) ! calculation of discrete angular frequencies, ordered as in FFTW (wrap around)
|
||||
k_s(3) = k - 1_pInt
|
||||
if(k > resolution(3)/2_pInt + 1_pInt) k_s(3) = k_s(3) - resolution(3)
|
||||
do j = 1_pInt, resolution(2)
|
||||
k_s(2) = j - 1_pInt
|
||||
if(j > resolution(2)/2_pInt + 1_pInt) k_s(2) = k_s(2) - resolution(2)
|
||||
do i = 1, resolution(1)/2_pInt + 1_pInt
|
||||
k_s(1) = i - 1_pInt
|
||||
xi(3,i,j,k) = 0.0_pReal ! 2D case
|
||||
if(resolution(3) > 1_pInt) xi(3,i,j,k) = real(k_s(3), pReal)/geomdimension(3) ! 3D case
|
||||
xi(2,i,j,k) = real(k_s(2), pReal)/geomdimension(2)
|
||||
xi(1,i,j,k) = real(k_s(1), pReal)/geomdimension(1)
|
||||
enddo; enddo; enddo
|
||||
! remove highest frequencies for calculation of divergence (CAREFULL, they will be used for pre calculatet gamma operator!)
|
||||
do k = 1_pInt ,resolution(3); do j = 1_pInt ,resolution(2); do i = 1_pInt,resolution(1)/2_pInt + 1_pInt
|
||||
if(k==resolution(3)/2_pInt+1_pInt) xi(3,i,j,k)= 0.0_pReal
|
||||
if(j==resolution(2)/2_pInt+1_pInt) xi(2,i,j,k)= 0.0_pReal
|
||||
if(i==resolution(1)/2_pInt+1_pInt) xi(1,i,j,k)= 0.0_pReal
|
||||
enddo; enddo; enddo
|
||||
print '(a,x,es10.4)' , 'Maximum Determinant of Deformation:', defgradDetMax
|
||||
print '(a,x,es10.4)' , 'Minimum Determinant of Deformation:', defgradDetMin
|
||||
|
||||
if(memory_efficient) then ! allocate just single fourth order tensor
|
||||
allocate (gamma_hat(1,1,1,3,3,3,3)); gamma_hat = 0.0_pReal
|
||||
else ! precalculation of gamma_hat field
|
||||
allocate (gamma_hat(resolution(1)/2_pInt + 1_pInt ,resolution(2),resolution(3),3,3,3,3)); gamma_hat = 0.0_pReal
|
||||
do k = 1_pInt, resolution(3); do j = 1_pInt, resolution(2); do i = 1_pInt, resolution(1)/2_pInt + 1_pInt
|
||||
if (any(xi(:,i,j,k) /= 0.0_pReal)) then
|
||||
do l = 1_pInt ,3_pInt; do m = 1_pInt,3_pInt
|
||||
xiDyad(l,m) = xi(l,i,j,k)*xi(m,i,j,k)
|
||||
enddo; enddo
|
||||
temp33_Real = math_inv3x3(math_mul3333xx33(c0_reference, xiDyad))
|
||||
else
|
||||
xiDyad = 0.0_pReal
|
||||
temp33_Real = 0.0_pReal
|
||||
endif
|
||||
do l=1_pInt,3_pInt; do m=1_pInt,3_pInt; do n=1_pInt,3_pInt; do p=1_pInt,3_pInt
|
||||
gamma_hat(i,j,k, l,m,n,p) = - 0.25*(temp33_Real(l,n)+temp33_Real(n,l)) *&
|
||||
(xiDyad(m,p)+xiDyad(p,m))
|
||||
enddo; enddo; enddo; enddo
|
||||
enddo; enddo; enddo
|
||||
endif
|
||||
workfft = 0.0_pReal ! needed because of the padding for FFTW
|
||||
c_current = 0.0_pReal
|
||||
ielem = 0_pInt
|
||||
do k = 1_pInt, resolution(3); do j = 1_pInt, resolution(2); do i = 1_pInt, resolution(1)
|
||||
ielem = ielem + 1_pInt
|
||||
call CPFEM_general(CPFEM_mode,& ! first element in first iteration retains CPFEM_mode 1,
|
||||
coordinates(1:3,i,j,k),&
|
||||
defgradold(i,j,k,1:3,1:3), defgrad(i,j,k,1:3,1:3),& ! others get 2 (saves winding forward effort)
|
||||
temperature(i,j,k),timeinc,ielem,1_pInt,&
|
||||
cstress,dsde, pstress,dPdF)
|
||||
CPFEM_mode = 2_pInt
|
||||
workfft(i,j,k,1:3,1:3) = pstress ! build up average P-K stress
|
||||
c_current = c_current + dPdF
|
||||
enddo; enddo; enddo
|
||||
restartWrite = .false. ! ToDo: don't know if we need it. Depends on how CPFEM_general is writing results
|
||||
do n = 1_pInt,3_pInt; do m = 1_pInt,3_pInt
|
||||
pstress_av(m,n) = sum(workfft(1:resolution(1),1:resolution(2),1:resolution(3),m,n)) * wgt
|
||||
enddo; enddo
|
||||
|
||||
! write header of output file
|
||||
!$OMP CRITICAL (write2out)
|
||||
open(538,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())&
|
||||
//'.spectralOut',form='UNFORMATTED',status='REPLACE')
|
||||
write(538), 'load', trim(getLoadcaseName())
|
||||
write(538), 'workingdir', trim(getSolverWorkingDirectoryName())
|
||||
write(538), 'geometry', trim(getSolverJobName())//InputFileExtension
|
||||
write(538), 'resolution', resolution
|
||||
write(538), 'dimension', geomdimension
|
||||
write(538), 'materialpoint_sizeResults', materialpoint_sizeResults
|
||||
write(538), 'loadcases', N_Loadcases
|
||||
write(538), 'logscale', bc(loadcase)%logscale ! one entry per loadcase (0: linear, 1: log)
|
||||
write(538), 'frequencies', bc(loadcase)%outputfrequency ! one entry per loadcase
|
||||
write(538), 'times', bc(loadcase)%timeIncrement ! one entry per loadcase
|
||||
bc(1)%steps= bc(1)%steps + 1_pInt
|
||||
write(538), 'increments', bc(loadcase)%steps ! one entry per loadcase ToDo: rename keyword to steps
|
||||
bc(1)%steps= bc(1)%steps - 1_pInt
|
||||
write(538), 'startingIncrement', totalStepsCounter
|
||||
write(538), 'eoh' ! end of header
|
||||
write(538), materialpoint_results(:,1,:) ! initial (non-deformed) results !ToDo: define array size
|
||||
!$OMP END CRITICAL (write2out)
|
||||
endif
|
||||
!*************************************************************
|
||||
! Initialization End
|
||||
!*************************************************************
|
||||
totalStepsCounter = totalStepsCounter + 1_pInt
|
||||
if (mod(step - 1_pInt,bc(loadcase)%restartFrequency)==0_pInt) then ! at frequency of writing restart information
|
||||
restartWrite = .true. ! setting restart parameter for FEsolving (first call to CPFEM_general will write ToDo: true?)
|
||||
if(IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(defgrad))) then ! and writing deformation gradient field to file
|
||||
write (777,rec=1) defgrad
|
||||
close (777)
|
||||
endif
|
||||
else
|
||||
restartWrite = .false.
|
||||
endif
|
||||
!$OMP CRITICAL (write2out)
|
||||
print '(a,/,3(3(f12.7,x)/)\)', 'Piola-Kirchhoff Stress / MPa: ',math_transpose3x3(pstress_av)/1.e6
|
||||
|
||||
if (bc(loadcase)%logscale == 1_pInt) then ! loglinear scale
|
||||
if (loadcase == 1_pInt) then ! 1st loadcase of loglinear scale
|
||||
if (step == 1_pInt) then ! 1st step of 1st loadcase of loglinear scale
|
||||
timeinc = bc(1)%timeIncrement*(2.0_pReal**real( 1_pInt-bc(1)%steps ,pReal)) ! assume 1st step is equal to 2nd
|
||||
else ! not-1st step of 1st loadcase of loglinear scale
|
||||
timeinc = bc(1)%timeIncrement*(2.0_pReal**real(step-1_pInt-bc(1)%steps ,pReal))
|
||||
endif
|
||||
else ! not-1st loadcase of loglinear scale
|
||||
timeinc = time0 *( (1.0_pReal + bc(loadcase)%timeIncrement/time0 )**real( step/bc(loadcase)%steps ,pReal) &
|
||||
-(1.0_pReal + bc(loadcase)%timeIncrement/time0 )**real( (step-1_pInt)/bc(loadcase)%steps ,pReal) )
|
||||
endif
|
||||
endif
|
||||
time = time + timeinc
|
||||
err_stress_tol = 0.0_pReal
|
||||
pstress_av_load = math_rotate_forward3x3(pstress_av,bc(loadcase)%rotation)
|
||||
if(size_reduced > 0_pInt) then ! calculate stress BC if applied
|
||||
err_stress = maxval(abs(mask_stress * (pstress_av_load - bc(loadcase)%stress))) ! maximum deviaton (tensor norm not applicable)
|
||||
err_stress_tol = maxval(abs(mask_defgrad * pstress_av_load)) * err_stress_tolrel ! don't use any tensor norm because the comparison should be coherent
|
||||
print '(A)', '... Correcting Deformation Gradient to Fullfill BCs .........'
|
||||
print '(2(a,es10.4))', 'Error Stress = ',err_stress, ', Tol. = ', err_stress_tol
|
||||
defgradAimCorr = - math_mul3333xx33(s_prev, ((pstress_av_load - bc(loadcase)%stress))) ! residual on given stress components
|
||||
defgradAim = defgradAim + defgradAimCorr
|
||||
print '(a,/,3(3(f12.7,x)/)\)', 'New Deformation Aim: ',math_transpose3x3(math_rotate_backward3x3(&
|
||||
defgradAim,bc(loadcase)%rotation))
|
||||
print '(a,x,es10.4)' , 'Determinant of New Deformation Aim:', math_det3x3(defgradAim)
|
||||
endif
|
||||
print '(A)', '... Calculating Equilibrium Using Spectral Method ...........'
|
||||
!$OMP END CRITICAL (write2out)
|
||||
call dfftw_execute_dft_r2c(fftw_plan(1),workfft,workfft) ! FFT of pstress
|
||||
|
||||
if (bc(loadcase)%velGradApplied) & ! calculate fDot from given L and current F
|
||||
fDot = math_mul33x33(bc(loadcase)%deformation, defgradAim)
|
||||
|
||||
!winding forward of deformation aim in loadcase system
|
||||
temp33_Real = defgradAim
|
||||
defgradAim = defgradAim &
|
||||
+ guessmode * mask_stress * (defgradAim - defgradAimOld) &
|
||||
+ mask_defgrad * fDot * timeinc
|
||||
defgradAimOld = temp33_Real
|
||||
|
||||
! update local deformation gradient
|
||||
if (any(bc(loadcase)%rotation/=math_I3)) then ! lab and loadcase coordinate system are NOT the same
|
||||
do k = 1_pInt, resolution(3); do j = 1_pInt, resolution(2); do i = 1_pInt, resolution(1)
|
||||
temp33_Real = defgrad(i,j,k,1:3,1:3)
|
||||
if (bc(loadcase)%velGradApplied) & ! use velocity gradient to calculate new deformation gradient (if not guessing)
|
||||
fDot = math_mul33x33(bc(loadcase)%deformation,&
|
||||
math_rotate_forward3x3(defgradold(i,j,k,1:3,1:3),bc(loadcase)%rotation))
|
||||
defgrad(i,j,k,1:3,1:3) = defgrad(i,j,k,1:3,1:3) & ! decide if guessing along former trajectory or apply homogeneous addon
|
||||
+ guessmode * (defgrad(i,j,k,1:3,1:3) - defgradold(i,j,k,1:3,1:3))& ! guessing...
|
||||
+ math_rotate_backward3x3((1.0_pReal-guessmode) * mask_defgrad * fDot,&
|
||||
bc(loadcase)%rotation) *timeinc ! apply the prescribed value where deformation is given if not guessing
|
||||
defgradold(i,j,k,1:3,1:3) = temp33_Real
|
||||
enddo; enddo; enddo
|
||||
else ! one coordinate system for lab and loadcase, save some multiplications
|
||||
do k = 1_pInt, resolution(3); do j = 1_pInt, resolution(2); do i = 1_pInt, resolution(1)
|
||||
temp33_Real = defgrad(i,j,k,1:3,1:3)
|
||||
if (bc(loadcase)%velGradApplied) & ! use velocity gradient to calculate new deformation gradient (if not guessing)
|
||||
fDot = math_mul33x33(bc(loadcase)%deformation,defgradold(i,j,k,1:3,1:3))
|
||||
defgrad(i,j,k,1:3,1:3) = defgrad(i,j,k,1:3,1:3) & ! decide if guessing along former trajectory or apply homogeneous addon
|
||||
+ guessmode * (defgrad(i,j,k,1:3,1:3) - defgradold(i,j,k,1:3,1:3))& ! guessing...
|
||||
+ (1.0_pReal-guessmode) * mask_defgrad * fDot * timeinc ! apply the prescribed value where deformation is given if not guessing
|
||||
defgradold(i,j,k,1:3,1:3) = temp33_Real
|
||||
enddo; enddo; enddo
|
||||
endif
|
||||
guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase
|
||||
|
||||
CPFEM_mode = 1_pInt ! winding forward
|
||||
iter = 0_pInt
|
||||
err_div = 2.0_pReal * err_div_tol ! go into loop
|
||||
|
||||
if(size_reduced > 0_pInt) then ! calculate compliance in case stress BC is applied
|
||||
c_prev99 = math_Plain3333to99(c_prev)
|
||||
k = 0_pInt ! build reduced stiffness
|
||||
do n = 1_pInt,9_pInt
|
||||
if(bc(loadcase)%maskStressVector(n)) then
|
||||
k = k + 1_pInt
|
||||
j = 0_pInt
|
||||
do m = 1_pInt,9_pInt
|
||||
if(bc(loadcase)%maskStressVector(m)) then
|
||||
j = j + 1_pInt
|
||||
c_reduced(k,j) = c_prev99(n,m)
|
||||
endif; enddo; endif; enddo
|
||||
call math_invert(size_reduced, c_reduced, s_reduced, i, errmatinv) ! invert reduced stiffness
|
||||
if(errmatinv) call IO_error(error_ID=800)
|
||||
s_prev99 = 0.0_pReal ! build full compliance
|
||||
k = 0_pInt
|
||||
do n = 1_pInt,9_pInt
|
||||
if(bc(loadcase)%maskStressVector(n)) then
|
||||
k = k + 1_pInt
|
||||
j = 0_pInt
|
||||
do m = 1_pInt,9_pInt
|
||||
if(bc(loadcase)%maskStressVector(m)) then
|
||||
j = j + 1_pInt
|
||||
s_prev99(n,m) = s_reduced(k,j)
|
||||
endif; enddo; endif; enddo
|
||||
s_prev = (math_Plain99to3333(s_prev99))
|
||||
endif
|
||||
|
||||
!$OMP CRITICAL (write2out)
|
||||
print '(a)', '#############################################################'
|
||||
print '(A,I5.5,A,es12.6)', 'Increment ', totalStepsCounter, ' Time ',time
|
||||
if (restartWrite .eq. .true. ) print '(A)', 'Writing converged Results of previous Step for Restart'
|
||||
!$OMP END CRITICAL (write2out)
|
||||
|
||||
!*************************************************************
|
||||
! convergence loop
|
||||
do while(iter < itmax .and. &
|
||||
(err_div > err_div_tol .or. &
|
||||
err_stress > err_stress_tol))
|
||||
iter = iter + 1_pInt
|
||||
!*************************************************************
|
||||
print '(a)', '============================================================='
|
||||
print '(5(A,I5.5))', 'Loadcase ',loadcase,' Step ',step,'/',bc(loadcase)%steps,'@Iteration ',iter,'/',itmax
|
||||
do n = 1_pInt,3_pInt; do m = 1_pInt,3_pInt
|
||||
defgrad_av(m,n) = sum(defgrad(1:resolution(1),1:resolution(2),1:resolution(3),m,n)) * wgt
|
||||
enddo; enddo
|
||||
!$OMP CRITICAL (write2out)
|
||||
print '(a,/,3(3(f12.7,x)/)\)', 'Deformation Gradient:',math_transpose3x3(defgrad_av)
|
||||
print '(A)', '... Update Stress Field (Constitutive Evaluation P(F)) ......'
|
||||
!$OMP END CRITICAL (write2out)
|
||||
ielem = 0_pInt
|
||||
defgradDetMax = -999.0_pReal
|
||||
defgradDetMin = 999.0_pReal
|
||||
do k = 1_pInt, resolution(3); do j = 1_pInt, resolution(2); do i = 1_pInt, resolution(1)
|
||||
defgradDet = math_det3x3(defgrad(i,j,k,1:3,1:3))
|
||||
defgradDetMax = max(defgradDetMax,defgradDet)
|
||||
defgradDetMin = min(defgradDetMin,defgradDet)
|
||||
ielem = ielem + 1_pInt
|
||||
call CPFEM_general(3_pInt,& ! collect cycle
|
||||
coordinates(1:3,i,j,k), defgradold(i,j,k,1:3,1:3), defgrad(i,j,k,1:3,1:3),&
|
||||
temperature(i,j,k),timeinc,ielem,1_pInt,&
|
||||
cstress,dsde, pstress, dPdF)
|
||||
enddo; enddo; enddo
|
||||
|
||||
print '(a,x,es10.4)' , 'Maximum Determinant of Deformation:', defgradDetMax
|
||||
print '(a,x,es10.4)' , 'Minimum Determinant of Deformation:', defgradDetMin
|
||||
|
||||
workfft = 0.0_pReal ! needed because of the padding for FFTW
|
||||
c_current = 0.0_pReal
|
||||
ielem = 0_pInt
|
||||
do k = 1_pInt, resolution(3); do j = 1_pInt, resolution(2); do i = 1_pInt, resolution(1)
|
||||
ielem = ielem + 1_pInt
|
||||
call CPFEM_general(CPFEM_mode,& ! first element in first iteration retains CPFEM_mode 1,
|
||||
coordinates(1:3,i,j,k),&
|
||||
defgradold(i,j,k,1:3,1:3), defgrad(i,j,k,1:3,1:3),& ! others get 2 (saves winding forward effort)
|
||||
temperature(i,j,k),timeinc,ielem,1_pInt,&
|
||||
cstress,dsde, pstress,dPdF)
|
||||
CPFEM_mode = 2_pInt
|
||||
workfft(i,j,k,1:3,1:3) = pstress ! build up average P-K stress
|
||||
c_current = c_current + dPdF
|
||||
enddo; enddo; enddo
|
||||
restartWrite = .false. ! ToDo: don't know if we need it. Depends on how CPFEM_general is writing results
|
||||
do n = 1_pInt,3_pInt; do m = 1_pInt,3_pInt
|
||||
pstress_av(m,n) = sum(workfft(1:resolution(1),1:resolution(2),1:resolution(3),m,n)) * wgt
|
||||
enddo; enddo
|
||||
|
||||
!$OMP CRITICAL (write2out)
|
||||
print '(a,/,3(3(f12.7,x)/)\)', 'Piola-Kirchhoff Stress / MPa: ',math_transpose3x3(pstress_av)/1.e6
|
||||
|
||||
err_stress_tol = 0.0_pReal
|
||||
pstress_av_load = math_rotate_forward3x3(pstress_av,bc(loadcase)%rotation)
|
||||
if(size_reduced > 0_pInt) then ! calculate stress BC if applied
|
||||
err_stress = maxval(abs(mask_stress * (pstress_av_load - bc(loadcase)%stress))) ! maximum deviaton (tensor norm not applicable)
|
||||
err_stress_tol = maxval(abs(mask_defgrad * pstress_av_load)) * err_stress_tolrel ! don't use any tensor norm because the comparison should be coherent
|
||||
print '(A)', '... Correcting Deformation Gradient to Fullfill BCs .........'
|
||||
print '(2(a,es10.4))', 'Error Stress = ',err_stress, ', Tol. = ', err_stress_tol
|
||||
defgradAimCorr = - math_mul3333xx33(s_prev, ((pstress_av_load - bc(loadcase)%stress))) ! residual on given stress components
|
||||
defgradAim = defgradAim + defgradAimCorr
|
||||
print '(a,/,3(3(f12.7,x)/)\)', 'New Deformation Aim: ',math_transpose3x3(math_rotate_backward3x3(&
|
||||
defgradAim,bc(loadcase)%rotation))
|
||||
print '(a,x,es10.4)' , 'Determinant of New Deformation Aim:', math_det3x3(defgradAim)
|
||||
endif
|
||||
print '(A)', '... Calculating Equilibrium Using Spectral Method ...........'
|
||||
!$OMP END CRITICAL (write2out)
|
||||
call dfftw_execute_dft_r2c(fftw_plan(1),workfft,workfft) ! FFT of pstress
|
||||
|
||||
p_hat_avg = sqrt(maxval (math_eigenvalues3x3(math_mul33x33(workfft(1,1,1,1:3,1:3),& ! L_2 norm of average stress in fourier space,
|
||||
math_transpose3x3(workfft(1,1,1,1:3,1:3)))))) ! ignore imaginary part as it is always zero for real only input))
|
||||
err_div = 0.0_pReal
|
||||
err_div_max = 0.0_pReal
|
||||
do k = 1_pInt, resolution(3); do j = 1_pInt, resolution(2); do i = 1_pInt, resolution(1)/2_pInt+1_pInt
|
||||
err_div = err_div + sqrt(sum((& ! avg of L_2 norm of div(stress) in fourier space (Suquet small strain)
|
||||
math_mul33x3_complex(workfft(i*2_pInt-1_pInt,j,k,1:3,1:3) + &
|
||||
workfft(i*2_pInt ,j,k,1:3,1:3)*img,&
|
||||
xi(1:3,i,j,k))&
|
||||
)**2.0_pReal))
|
||||
if(debugDivergence) &
|
||||
err_div_max = max(err_div_max,abs(sqrt(sum((& ! maximum of L two norm of div(stress) in fourier space (Suquet large strain)
|
||||
math_mul33x3_complex(workfft(i*2_pInt-1_pInt,j,k,1:3,1:3)+&
|
||||
p_hat_avg = sqrt(maxval (math_eigenvalues3x3(math_mul33x33(workfft(1,1,1,1:3,1:3),& ! L_2 norm of average stress in fourier space,
|
||||
math_transpose3x3(workfft(1,1,1,1:3,1:3)))))) ! ignore imaginary part as it is always zero for real only input))
|
||||
err_div = 0.0_pReal
|
||||
err_div_max = 0.0_pReal
|
||||
do k = 1_pInt, resolution(3); do j = 1_pInt, resolution(2); do i = 1_pInt, resolution(1)/2_pInt+1_pInt
|
||||
err_div = err_div + sqrt(sum((& ! avg of L_2 norm of div(stress) in fourier space (Suquet small strain)
|
||||
math_mul33x3_complex(workfft(i*2_pInt-1_pInt,j,k,1:3,1:3) + &
|
||||
workfft(i*2_pInt ,j,k,1:3,1:3)*img,&
|
||||
xi(1:3,i,j,k))&
|
||||
)**2.0_pReal))))
|
||||
enddo; enddo; enddo
|
||||
correctionFactor = minval(geomdimension)*wgt**(-1.0_pReal/4.0_pReal) ! multiplying by minimum dimension to get rid of dimension dependency and phenomenologigal factor wgt**(-1/4) to get rid of resolution dependency
|
||||
if (resolution(3)==1_pInt) correctionFactor = minval(geomdimension(1:2))*wgt**(-1.0_pReal/4.0_pReal) ! 2D case, ToDo: correct?
|
||||
if (.not. divergence_correction) correctionFactor = 1.0_pReal
|
||||
err_div = err_div*wgt/p_hat_avg*correctionFactor ! weighting by points and average stress and multiplying with correction factor
|
||||
err_div_max = err_div_max/p_hat_avg*correctionFactor ! weighting by average stress and multiplying with correction factor
|
||||
)**2.0_pReal))
|
||||
if(debugDivergence) &
|
||||
err_div_max = max(err_div_max,abs(sqrt(sum((& ! maximum of L two norm of div(stress) in fourier space (Suquet large strain)
|
||||
math_mul33x3_complex(workfft(i*2_pInt-1_pInt,j,k,1:3,1:3)+&
|
||||
workfft(i*2_pInt ,j,k,1:3,1:3)*img,&
|
||||
xi(1:3,i,j,k))&
|
||||
)**2.0_pReal))))
|
||||
enddo; enddo; enddo
|
||||
correctionFactor = minval(geomdimension)*wgt**(-1.0_pReal/4.0_pReal) ! multiplying by minimum dimension to get rid of dimension dependency and phenomenologigal factor wgt**(-1/4) to get rid of resolution dependency
|
||||
if (resolution(3)==1_pInt) correctionFactor = minval(geomdimension(1:2))*wgt**(-1.0_pReal/4.0_pReal) ! 2D case, ToDo: correct?
|
||||
if (.not. divergence_correction) correctionFactor = 1.0_pReal
|
||||
err_div = err_div*wgt/p_hat_avg*correctionFactor ! weighting by points and average stress and multiplying with correction factor
|
||||
err_div_max = err_div_max/p_hat_avg*correctionFactor ! weighting by average stress and multiplying with correction factor
|
||||
|
||||
if(memory_efficient) then ! memory saving version, on-the-fly calculation of gamma_hat
|
||||
do k = 1_pInt, resolution(3); do j = 1_pInt, resolution(2) ;do i = 1_pInt, resolution(1)/2_pInt+1_pInt
|
||||
if (any(xi(:,i,j,k) /= 0.0_pReal)) then
|
||||
do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt
|
||||
xiDyad(l,m) = xi(l,i,j,k)*xi(m,i,j,k)
|
||||
if(memory_efficient) then ! memory saving version, on-the-fly calculation of gamma_hat
|
||||
do k = 1_pInt, resolution(3); do j = 1_pInt, resolution(2) ;do i = 1_pInt, resolution(1)/2_pInt+1_pInt
|
||||
if (any(xi(:,i,j,k) /= 0.0_pReal)) then
|
||||
do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt
|
||||
xiDyad(l,m) = xi(l,i,j,k)*xi(m,i,j,k)
|
||||
enddo; enddo
|
||||
temp33_Real = math_inv3x3(math_mul3333xx33(c0_reference, xiDyad))
|
||||
else
|
||||
xiDyad = 0.0_pReal
|
||||
temp33_Real = 0.0_pReal
|
||||
endif
|
||||
do l=1_pInt,3_pInt; do m=1_pInt,3_pInt; do n=1_pInt,3_pInt; do p=1_pInt,3_pInt
|
||||
gamma_hat(1,1,1, l,m,n,p) = - 0.25_pReal*(temp33_Real(l,n)+temp33_Real(n,l))*&
|
||||
(xiDyad(m,p) +xiDyad(p,m))
|
||||
enddo; enddo; enddo; enddo
|
||||
do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt
|
||||
temp33_Complex(m,n) = sum(gamma_hat(1,1,1,m,n,1:3,1:3) *(workfft(i*2_pInt-1_pInt,j,k,1:3,1:3)&
|
||||
+workfft(i*2_pInt ,j,k,1:3,1:3)*img))
|
||||
enddo; enddo
|
||||
temp33_Real = math_inv3x3(math_mul3333xx33(c0_reference, xiDyad))
|
||||
else
|
||||
xiDyad = 0.0_pReal
|
||||
temp33_Real = 0.0_pReal
|
||||
endif
|
||||
do l=1_pInt,3_pInt; do m=1_pInt,3_pInt; do n=1_pInt,3_pInt; do p=1_pInt,3_pInt
|
||||
gamma_hat(1,1,1, l,m,n,p) = - 0.25_pReal*(temp33_Real(l,n)+temp33_Real(n,l))*&
|
||||
(xiDyad(m,p) +xiDyad(p,m))
|
||||
enddo; enddo; enddo; enddo
|
||||
do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt
|
||||
temp33_Complex(m,n) = sum(gamma_hat(1,1,1,m,n,1:3,1:3) *(workfft(i*2_pInt-1_pInt,j,k,1:3,1:3)&
|
||||
+workfft(i*2_pInt ,j,k,1:3,1:3)*img))
|
||||
enddo; enddo
|
||||
workfft(i*2_pInt-1_pInt,j,k,1:3,1:3) = real (temp33_Complex)
|
||||
workfft(i*2_pInt ,j,k,1:3,1:3) = aimag(temp33_Complex)
|
||||
enddo; enddo; enddo
|
||||
else ! use precalculated gamma-operator
|
||||
do k = 1_pInt, resolution(3); do j = 1_pInt, resolution(2); do i = 1_pInt, resolution(1)/2_pInt+1_pInt
|
||||
do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt
|
||||
temp33_Complex(m,n) = sum(gamma_hat(i,j,k, m,n,1:3,1:3) *(workfft(i*2_pInt-1_pInt,j,k,1:3,1:3)&
|
||||
+ workfft(i*2_pInt ,j,k,1:3,1:3)*img))
|
||||
enddo; enddo
|
||||
workfft(i*2_pInt-1_pInt,j,k,1:3,1:3) = real (temp33_Complex)
|
||||
workfft(i*2_pInt ,j,k,1:3,1:3) = aimag(temp33_Complex)
|
||||
enddo; enddo; enddo
|
||||
endif
|
||||
if(debugDivergence) then
|
||||
divergence=0.0
|
||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)/2+1
|
||||
divergence(i,j,k,1) = (workfft(i*2-1,j,k,1,1)+ workfft(i*2,j,k,1,1)*img)*xi(1,i,j,k)*img*pi*2.0&
|
||||
+ (workfft(i*2-1,j,k,2,1)+ workfft(i*2,j,k,2,1)*img)*xi(2,i,j,k)*img*pi*2.0&
|
||||
+ (workfft(i*2-1,j,k,3,1)+ workfft(i*2,j,k,3,1)*img)*xi(3,i,j,k)*img*pi*2.0
|
||||
divergence(i,j,k,2) = (workfft(i*2-1,j,k,1,2)+ workfft(i*2,j,k,1,2)*img)*xi(1,i,j,k)*img*pi*2.0&
|
||||
+ (workfft(i*2-1,j,k,2,2)+ workfft(i*2,j,k,2,2)*img)*xi(2,i,j,k)*img*pi*2.0&
|
||||
+ (workfft(i*2-1,j,k,3,2)+ workfft(i*2,j,k,3,2)*img)*xi(3,i,j,k)*img*pi*2.0
|
||||
divergence(i,j,k,3) = (workfft(i*2-1,j,k,1,3)+ workfft(i*2,j,k,1,3)*img)*xi(1,i,j,k)*img*pi*2.0&
|
||||
+ (workfft(i*2-1,j,k,2,3)+ workfft(i*2,j,k,2,3)*img)*xi(2,i,j,k)*img*pi*2.0&
|
||||
+ (workfft(i*2-1,j,k,3,3)+ workfft(i*2,j,k,3,3)*img)*xi(3,i,j,k)*img*pi*2.0
|
||||
enddo; enddo; enddo
|
||||
call dfftw_execute_dft_c2r(fftw_plan(3),divergence,divergence)
|
||||
endif
|
||||
workfft(i*2_pInt-1_pInt,j,k,1:3,1:3) = real (temp33_Complex)
|
||||
workfft(i*2_pInt ,j,k,1:3,1:3) = aimag(temp33_Complex)
|
||||
enddo; enddo; enddo
|
||||
else ! use precalculated gamma-operator
|
||||
do k = 1_pInt, resolution(3); do j = 1_pInt, resolution(2); do i = 1_pInt, resolution(1)/2_pInt+1_pInt
|
||||
do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt
|
||||
temp33_Complex(m,n) = sum(gamma_hat(i,j,k, m,n,1:3,1:3) *(workfft(i*2_pInt-1_pInt,j,k,1:3,1:3)&
|
||||
+ workfft(i*2_pInt ,j,k,1:3,1:3)*img))
|
||||
enddo; enddo
|
||||
workfft(i*2_pInt-1_pInt,j,k,1:3,1:3) = real (temp33_Complex)
|
||||
workfft(i*2_pInt ,j,k,1:3,1:3) = aimag(temp33_Complex)
|
||||
enddo; enddo; enddo
|
||||
endif
|
||||
if(debugDivergence) then
|
||||
divergence=0.0
|
||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)/2+1
|
||||
divergence(i,j,k,1) = (workfft(i*2-1,j,k,1,1)+ workfft(i*2,j,k,1,1)*img)*xi(1,i,j,k)*img*pi*2.0&
|
||||
+ (workfft(i*2-1,j,k,2,1)+ workfft(i*2,j,k,2,1)*img)*xi(2,i,j,k)*img*pi*2.0&
|
||||
+ (workfft(i*2-1,j,k,3,1)+ workfft(i*2,j,k,3,1)*img)*xi(3,i,j,k)*img*pi*2.0
|
||||
divergence(i,j,k,2) = (workfft(i*2-1,j,k,1,2)+ workfft(i*2,j,k,1,2)*img)*xi(1,i,j,k)*img*pi*2.0&
|
||||
+ (workfft(i*2-1,j,k,2,2)+ workfft(i*2,j,k,2,2)*img)*xi(2,i,j,k)*img*pi*2.0&
|
||||
+ (workfft(i*2-1,j,k,3,2)+ workfft(i*2,j,k,3,2)*img)*xi(3,i,j,k)*img*pi*2.0
|
||||
divergence(i,j,k,3) = (workfft(i*2-1,j,k,1,3)+ workfft(i*2,j,k,1,3)*img)*xi(1,i,j,k)*img*pi*2.0&
|
||||
+ (workfft(i*2-1,j,k,2,3)+ workfft(i*2,j,k,2,3)*img)*xi(2,i,j,k)*img*pi*2.0&
|
||||
+ (workfft(i*2-1,j,k,3,3)+ workfft(i*2,j,k,3,3)*img)*xi(3,i,j,k)*img*pi*2.0
|
||||
enddo; enddo; enddo
|
||||
call dfftw_execute_dft_c2r(fftw_plan(3),divergence,divergence)
|
||||
endif
|
||||
|
||||
! average strain
|
||||
workfft(1,1,1,1:3,1:3) = defgrad_av - math_I3 ! zero frequency (real part)
|
||||
workfft(2,1,1,1:3,1:3) = 0.0_pReal ! zero frequency (imaginary part)
|
||||
! average strain
|
||||
workfft(1,1,1,1:3,1:3) = defgrad_av - math_I3 ! zero frequency (real part)
|
||||
workfft(2,1,1,1:3,1:3) = 0.0_pReal ! zero frequency (imaginary part)
|
||||
|
||||
call dfftw_execute_dft_c2r(fftw_plan(2),workfft,workfft)
|
||||
defgrad = defgrad + workfft(1:resolution(1),:,:,:,:)*wgt
|
||||
do m = 1,3; do n = 1,3
|
||||
defgrad_av(m,n) = sum(defgrad(:,:,:,m,n))*wgt
|
||||
enddo; enddo
|
||||
defgradAim_lab = math_rotate_backward3x3(defgradAim,bc(loadcase)%rotation)
|
||||
do m = 1,3; do n = 1,3
|
||||
defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (defgradAim_lab(m,n) - defgrad_av(m,n)) ! anticipated target minus current state
|
||||
enddo; enddo
|
||||
call dfftw_execute_dft_c2r(fftw_plan(2),workfft,workfft)
|
||||
defgrad = defgrad + workfft(1:resolution(1),:,:,:,:)*wgt
|
||||
do m = 1,3; do n = 1,3
|
||||
defgrad_av(m,n) = sum(defgrad(:,:,:,m,n))*wgt
|
||||
enddo; enddo
|
||||
defgradAim_lab = math_rotate_backward3x3(defgradAim,bc(loadcase)%rotation)
|
||||
do m = 1,3; do n = 1,3
|
||||
defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (defgradAim_lab(m,n) - defgrad_av(m,n)) ! anticipated target minus current state
|
||||
enddo; enddo
|
||||
!$OMP CRITICAL (write2out)
|
||||
print '(2(a,es10.4))', 'Error Divergence = ',err_div, ', Tol. = ', err_div_tol
|
||||
!$OMP END CRITICAL (write2out)
|
||||
|
||||
enddo ! end looping when convergency is achieved
|
||||
|
||||
c_prev = math_rotate_forward3x3x3x3(c_current*wgt,bc(loadcase)%rotation) ! calculate stiffness for next step
|
||||
!ToDo: Incfluence for next loadcase
|
||||
!$OMP CRITICAL (write2out)
|
||||
print '(2(a,es10.4))', 'Error Divergence = ',err_div, ', Tol. = ', err_div_tol
|
||||
print '(a)', '============================================================='
|
||||
if(err_div<=err_div_tol .and. err_stress<=err_stress_tol) then
|
||||
print '(A,I5.5,A)', 'Increment ', totalStepsCounter, ' Converged'
|
||||
else
|
||||
print '(A,I5.5,A)', 'Increment ', totalStepsCounter, ' NOT Converged'
|
||||
notConvergedCounter = notConvergedCounter + 1
|
||||
endif
|
||||
if (mod(totalStepsCounter -1_pInt,bc(loadcase)%outputfrequency) == 0_pInt) then ! at output frequency
|
||||
print '(A)', '... Writing Results to File .................................'
|
||||
write(538), materialpoint_results(:,1,:) ! write result to file
|
||||
endif
|
||||
!$OMP END CRITICAL (write2out)
|
||||
|
||||
enddo ! end looping when convergency is achieved
|
||||
|
||||
c_prev = math_rotate_forward3x3x3x3(c_current*wgt,bc(loadcase)%rotation) ! calculate stiffness for next step
|
||||
!ToDo: Incfluence for next loadcase
|
||||
!$OMP CRITICAL (write2out)
|
||||
print '(a)', '============================================================='
|
||||
if(err_div<=err_div_tol .and. err_stress<=err_stress_tol) then
|
||||
print '(A,I5.5,A)', 'Increment ', totalStepsCounter, ' Converged'
|
||||
else
|
||||
print '(A,I5.5,A)', 'Increment ', totalStepsCounter, ' NOT Converged'
|
||||
notConvergedCounter = notConvergedCounter + 1
|
||||
endif
|
||||
if (mod(totalStepsCounter -1_pInt,bc(loadcase)%outputfrequency) == 0_pInt) then ! at output frequency
|
||||
print '(A)', '... Writing Results to File .................................'
|
||||
write(538), materialpoint_results(:,1,:) ! write result to file
|
||||
endif
|
||||
!$OMP END CRITICAL (write2out)
|
||||
enddo ! end looping over steps in current loadcase
|
||||
deallocate(c_reduced)
|
||||
deallocate(s_reduced)
|
||||
|
|
|
|||
Loading…
Reference in New Issue