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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@ -129,13 +129,13 @@ 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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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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@ -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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! 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)) call IO_error(error_ID=102_pInt) ! check for correct number of given arguments
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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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!$OMP CRITICAL (write2out)
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print '(a)', ''
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print '(a)', '#############################################################'
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@ -350,6 +353,7 @@ program DAMASK_spectral
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call IO_warning(warning_ID=33_pInt) ! cannot guess along trajectory for first step of first loadcase
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bc(1)%followFormerTrajectory = .false.
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endif
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! consistency checks and output of loadcase
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do loadcase = 1_pInt, N_Loadcases
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!$OMP CRITICAL (write2out)
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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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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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@ -495,16 +455,33 @@ 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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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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@ -513,8 +490,10 @@ pause
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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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!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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@ -539,14 +518,13 @@ pause
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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 (.not. restartReadSpectral) then ! no deformation at the beginning
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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(getModelName()),size(defgrad))) then
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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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@ -557,8 +535,8 @@ pause
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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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@ -627,13 +605,13 @@ pause
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write(538), 'dimension', geomdimension
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write(538), 'materialpoint_sizeResults', materialpoint_sizeResults
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write(538), 'loadcases', N_Loadcases
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write(538), 'logscale', bc(loadcase)%logscale ! one entry per loadcase (0: linear, 1: log)
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write(538), 'frequencies', bc(loadcase)%outputfrequency ! one entry per loadcase
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write(538), 'times', bc(loadcase)%timeIncrement ! one entry per loadcase
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write(538), 'logscale', bc(1:N_Loadcases)%logscale ! one entry per loadcase (0: linear, 1: log)
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write(538), 'frequencies', bc(1:N_Loadcases)%outputfrequency ! one entry per loadcase
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write(538), 'times', bc(1:N_Loadcases)%timeIncrement ! one entry per loadcase
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bc(1)%steps= bc(1)%steps + 1_pInt
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write(538), 'increments', bc(loadcase)%steps ! one entry per loadcase ToDo: rename keyword to steps
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write(538), 'increments', bc(1:N_Loadcases)%steps ! one entry per loadcase ToDo: rename keyword to steps
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bc(1)%steps= bc(1)%steps - 1_pInt
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write(538), 'startingIncrement', totalStepsCounter
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write(538), 'startingIncrement', restartReadStep -1_pInt ! start with writing out the previous step
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write(538), 'eoh' ! end of header
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write(538), materialpoint_results(:,1,:) ! initial (non-deformed) results !ToDo: define array size
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!$OMP END CRITICAL (write2out)
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@ -641,31 +619,13 @@ pause
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!*************************************************************
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! Initialization End
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!*************************************************************
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totalStepsCounter = totalStepsCounter + 1_pInt
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if (mod(step - 1_pInt,bc(loadcase)%restartFrequency)==0_pInt) then ! at frequency of writing restart information
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restartWrite = .true. ! setting restart parameter for FEsolving (first call to CPFEM_general will write ToDo: true?)
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if(IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(defgrad))) then ! and writing deformation gradient field to file
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write (777,rec=1) defgrad
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close (777)
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endif
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else
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restartWrite = .false.
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endif
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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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if (bc(loadcase)%velGradApplied) & ! calculate fDot from given L and current F
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fDot = math_mul33x33(bc(loadcase)%deformation, defgradAim)
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@ -737,9 +697,14 @@ pause
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!$OMP CRITICAL (write2out)
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print '(a)', '#############################################################'
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print '(A,I5.5,A,es12.6)', 'Increment ', totalStepsCounter, ' Time ',time
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if (restartWrite .eq. .true. ) print '(A)', 'Writing converged Results of previous Step for Restart'
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if (restartWrite ) then
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print '(A)', 'Writing converged Results of previous Step for Restart'
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if(IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(defgrad))) then ! and writing deformation gradient field to file
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write (777,rec=1) defgrad
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close (777)
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endif
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endif
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!$OMP END CRITICAL (write2out)
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!*************************************************************
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! convergence loop
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do while(iter < itmax .and. &
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@ -917,6 +882,7 @@ pause
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write(538), materialpoint_results(:,1,:) ! write result to file
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endif
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!$OMP END CRITICAL (write2out)
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endif
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enddo ! end looping over steps in current loadcase
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deallocate(c_reduced)
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deallocate(s_reduced)
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