!-------------------------------------------------------------------------------------------------- !> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @brief Driver controlling inner and outer load case looping of the various spectral solvers !> @details doing cutbacking, forwarding in case of restart, reporting statistics, writing !> results !-------------------------------------------------------------------------------------------------- program DAMASK_grid #include use PETScsys use prec use parallelization use DAMASK_interface use IO use config use math use CPFEM2 use material use spectral_utilities use grid_mech_spectral_basic use grid_mech_spectral_polarisation use grid_mech_FEM use grid_damage_spectral use grid_thermal_spectral use results implicit none !-------------------------------------------------------------------------------------------------- ! variables related to information from load case and geom file real(pReal), dimension(9) :: temp_valueVector = 0.0_pReal !< temporarily from loadcase file when reading in tensors (initialize to 0.0) logical, dimension(9) :: temp_maskVector = .false. !< temporarily from loadcase file when reading in tensors !-------------------------------------------------------------------------------------------------- ! loop variables, convergence etc. real(pReal), dimension(3,3), parameter :: & ones = 1.0_pReal, & zeros = 0.0_pReal integer, parameter :: & subStepFactor = 2 !< for each substep, divide the last time increment by 2.0 real(pReal) :: & time = 0.0_pReal, & !< elapsed time time0 = 0.0_pReal, & !< begin of interval timeinc = 1.0_pReal, & !< current time interval timeIncOld = 0.0_pReal, & !< previous time interval remainingLoadCaseTime = 0.0_pReal !< remaining time of current load case logical :: & guess, & !< guess along former trajectory stagIterate, & cutBack = .false. integer :: & i, j, m, field, & errorID = 0, & cutBackLevel = 0, & !< cut back level \f$ t = \frac{t_{inc}}{2^l} \f$ stepFraction = 0, & !< fraction of current time interval l = 0, & !< current load case inc, & !< current increment in current load case totalIncsCounter = 0, & !< total # of increments statUnit = 0, & !< file unit for statistics output stagIter, & nActiveFields = 0, & maxCutBack, & !< max number of cut backs stagItMax !< max number of field level staggered iterations character(len=pStringLen) :: & incInfo, & loadcase_string type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases type(tSolutionState), allocatable, dimension(:) :: solres procedure(grid_mech_spectral_basic_init), pointer :: & mech_init procedure(grid_mech_spectral_basic_forward), pointer :: & mech_forward procedure(grid_mech_spectral_basic_solution), pointer :: & mech_solution procedure(grid_mech_spectral_basic_updateCoords), pointer :: & mech_updateCoords procedure(grid_mech_spectral_basic_restartWrite), pointer :: & mech_restartWrite external :: & quit class (tNode), pointer :: & num_grid, & debug_grid, & ! pointer to grid debug options config_load, & load_steps, & load_step, & step_mech, & step_discretization, & step_deformation, & step_stress !-------------------------------------------------------------------------------------------------- ! init DAMASK (all modules) call CPFEM_initAll print'(/,a)', ' <<<+- DAMASK_spectral init -+>>>'; flush(IO_STDOUT) print*, 'Shanthraj et al., Handbook of Mechanics of Materials, 2019' print*, 'https://doi.org/10.1007/978-981-10-6855-3_80' !-------------------------------------------------------------------------------------------------- ! initialize field solver information nActiveFields = 1 if (any(thermal_type == THERMAL_conduction_ID )) nActiveFields = nActiveFields + 1 if (any(damage_type == DAMAGE_nonlocal_ID )) nActiveFields = nActiveFields + 1 allocate(solres(nActiveFields)) !------------------------------------------------------------------------------------------------- ! reading field paramters from numerics file and do sanity checks num_grid => config_numerics%get('grid', defaultVal=emptyDict) stagItMax = num_grid%get_asInt('maxStaggeredIter',defaultVal=10) maxCutBack = num_grid%get_asInt('maxCutBack',defaultVal=3) if (stagItMax < 0) call IO_error(301,ext_msg='maxStaggeredIter') if (maxCutBack < 0) call IO_error(301,ext_msg='maxCutBack') !-------------------------------------------------------------------------------------------------- ! assign mechanics solver depending on selected type debug_grid => config_debug%get('grid',defaultVal=emptyList) select case (trim(num_grid%get_asString('solver', defaultVal = 'Basic'))) case ('Basic') mech_init => grid_mech_spectral_basic_init mech_forward => grid_mech_spectral_basic_forward mech_solution => grid_mech_spectral_basic_solution mech_updateCoords => grid_mech_spectral_basic_updateCoords mech_restartWrite => grid_mech_spectral_basic_restartWrite case ('Polarisation') if(debug_grid%contains('basic')) & call IO_warning(42, ext_msg='debug Divergence') mech_init => grid_mech_spectral_polarisation_init mech_forward => grid_mech_spectral_polarisation_forward mech_solution => grid_mech_spectral_polarisation_solution mech_updateCoords => grid_mech_spectral_polarisation_updateCoords mech_restartWrite => grid_mech_spectral_polarisation_restartWrite case ('FEM') if(debug_grid%contains('basic')) & call IO_warning(42, ext_msg='debug Divergence') mech_init => grid_mech_FEM_init mech_forward => grid_mech_FEM_forward mech_solution => grid_mech_FEM_solution mech_updateCoords => grid_mech_FEM_updateCoords mech_restartWrite => grid_mech_FEM_restartWrite case default call IO_error(error_ID = 891, ext_msg = trim(num_grid%get_asString('solver'))) end select !-------------------------------------------------------------------------------------------------- ! reading information from load case file and to sanity checks config_load => YAML_parse_file(trim(interface_loadFile)) load_steps => config_load%get('step') allocate(loadCases(load_steps%length)) ! array of load cases do l = 1, load_steps%length allocate(loadCases(l)%ID(nActiveFields)) field = 1 loadCases(l)%ID(field) = FIELD_MECH_ID ! mechanical active by default thermalActive: if (any(thermal_type == THERMAL_conduction_ID)) then field = field + 1 loadCases(l)%ID(field) = FIELD_THERMAL_ID endif thermalActive damageActive: if (any(damage_type == DAMAGE_nonlocal_ID)) then field = field + 1 loadCases(l)%ID(field) = FIELD_DAMAGE_ID endif damageActive load_step => load_steps%get(l) step_mech => load_step%get('mech') loadCases(l)%stress%myType='P' readMech: do m = 1, step_mech%length select case (step_mech%getKey(m)) case('dot_F','L','F') ! assign values for the deformation BC matrix loadCases(l)%deformation%myType = step_mech%getKey(m) temp_valueVector = 0.0_pReal step_deformation => step_mech%get(m) do j = 1, 9 temp_maskVector(j) = step_deformation%get_asString(j) /= 'x' ! true if not a 'x' if (temp_maskVector(j)) temp_valueVector(j) = step_deformation%get_asFloat(j) ! read value where applicable enddo loadCases(l)%deformation%mask = transpose(reshape(temp_maskVector,[ 3,3])) ! mask in 3x3 notation loadCases(l)%deformation%values = math_9to33(temp_valueVector) ! values in 3x3 notation case('P') temp_valueVector = 0.0_pReal step_stress => step_mech%get(m) do j = 1, 9 temp_maskVector(j) = step_stress%get_asString(j) /= 'x' ! true if not a 'x' if (temp_maskVector(j)) temp_valueVector(j) = step_stress%get_asFloat(j) ! read value where applicable enddo loadCases(l)%stress%mask = transpose(reshape(temp_maskVector,[ 3,3])) loadCases(l)%stress%values = math_9to33(temp_valueVector) end select call loadCases(l)%rot%fromAxisAngle(step_mech%get_asFloats('R', & defaultVal = real([0.0,0.0,1.0,0.0],pReal)),degrees=.true.) enddo readMech if (.not. allocated(loadCases(l)%deformation%myType)) call IO_error(error_ID=837,ext_msg = 'L/F/dot_F missing') step_discretization => load_step%get('discretization') if(.not. step_discretization%contains('t')) call IO_error(error_ID=837,ext_msg = 't missing') if(.not. step_discretization%contains('N')) call IO_error(error_ID=837,ext_msg = 'N missing') loadCases(l)%time = step_discretization%get_asFloat('t') loadCases(l)%incs = step_discretization%get_asInt ('N') loadCases(l)%logscale = step_discretization%get_asBool ('log_timestep', defaultVal= .false.) loadCases(l)%outputfrequency = step_discretization%get_asInt ('f_out', defaultVal=1) loadCases(l)%restartfrequency = step_discretization%get_asInt ('f_restart', defaultVal=huge(0)) loadCases(l)%followFormerTrajectory = .not. (load_step%get_asBool('drop_guessing',defaultVal=.false.) .or. & merge(.false.,.true.,l > 1)) ! do not continue to predict deformation along former trajectory reportAndCheck: if (worldrank == 0) then write (loadcase_string, '(i0)' ) l print'(/,a,i0)', ' load case: ', l if (.not. loadCases(l)%followFormerTrajectory) & print*, ' drop guessing along trajectory' if (loadCases(l)%deformation%myType == 'L') then do j = 1, 3 if (any(loadCases(l)%deformation%mask(j,1:3) .eqv. .true.) .and. & any(loadCases(l)%deformation%mask(j,1:3) .eqv. .false.)) errorID = 832 ! each row should be either fully or not at all defined enddo print*, ' velocity gradient:' else if (loadCases(l)%deformation%myType == 'F') then print*, ' deformation gradient at end of load case:' else if (loadCases(l)%deformation%myType == 'dot_F') then print*, ' deformation gradient rate:' endif do i = 1, 3; do j = 1, 3 if(loadCases(l)%deformation%mask(i,j)) then write(IO_STDOUT,'(2x,f12.7)',advance='no') loadCases(l)%deformation%values(i,j) else write(IO_STDOUT,'(2x,12a)',advance='no') ' x ' endif enddo; write(IO_STDOUT,'(/)',advance='no') enddo if (any(loadCases(l)%stress%mask .eqv. loadCases(l)%deformation%mask)) errorID = 831 ! exclusive or masking only if (any(loadCases(l)%stress%mask .and. transpose(loadCases(l)%stress%mask) .and. (math_I3<1))) & errorID = 838 ! no rotation is allowed by stress BC print*, ' stress / GPa:' do i = 1, 3; do j = 1, 3 if(loadCases(l)%stress%mask(i,j)) then write(IO_STDOUT,'(2x,f12.7)',advance='no') loadCases(l)%stress%values(i,j)*1e-9_pReal else write(IO_STDOUT,'(2x,12a)',advance='no') ' x ' endif enddo; write(IO_STDOUT,'(/)',advance='no') enddo if (any(dNeq(loadCases(l)%rot%asMatrix(), math_I3))) & write(IO_STDOUT,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'rotation of loadframe:',& transpose(loadCases(l)%rot%asMatrix()) if (loadCases(l)%time < 0.0_pReal) errorID = 834 ! negative time increment print'(a,f0.3)', ' time: ', loadCases(l)%time if (loadCases(l)%incs < 1) errorID = 835 ! non-positive incs count print'(a,i0)', ' increments: ', loadCases(l)%incs if (loadCases(l)%outputfrequency < 1) errorID = 836 ! non-positive result frequency print'(a,i0)', ' output frequency: ', loadCases(l)%outputfrequency if (loadCases(l)%restartfrequency < 1) errorID = 839 ! non-positive restart frequency if (loadCases(l)%restartfrequency < huge(0)) & print'(a,i0)', ' restart frequency: ', loadCases(l)%restartfrequency if (errorID > 0) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message endif reportAndCheck enddo !-------------------------------------------------------------------------------------------------- ! doing initialization depending on active solvers call spectral_Utilities_init do field = 1, nActiveFields select case (loadCases(1)%ID(field)) case(FIELD_MECH_ID) call mech_init case(FIELD_THERMAL_ID) call grid_thermal_spectral_init case(FIELD_DAMAGE_ID) call grid_damage_spectral_init end select enddo !-------------------------------------------------------------------------------------------------- ! write header of output file if (worldrank == 0) then writeHeader: if (interface_restartInc < 1) then open(newunit=statUnit,file=trim(getSolverJobName())//'.sta',form='FORMATTED',status='REPLACE') write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file if (debug_grid%contains('basic')) print'(/,a)', ' header of statistics file written out' flush(IO_STDOUT) else writeHeader open(newunit=statUnit,file=trim(getSolverJobName())//& '.sta',form='FORMATTED', position='APPEND', status='OLD') endif writeHeader endif writeUndeformed: if (interface_restartInc < 1) then print'(/,a)', ' ... writing initial configuration to file ........................' call CPFEM_results(0,0.0_pReal) endif writeUndeformed loadCaseLooping: do l = 1, size(loadCases) time0 = time ! load case start time guess = loadCases(l)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc incLooping: do inc = 1, loadCases(l)%incs totalIncsCounter = totalIncsCounter + 1 !-------------------------------------------------------------------------------------------------- ! forwarding time timeIncOld = timeinc ! last timeinc that brought former inc to an end if (.not. loadCases(l)%logscale) then ! linear scale timeinc = loadCases(l)%time/real(loadCases(l)%incs,pReal) else if (l == 1) then ! 1st load case of logarithmic scale timeinc = loadCases(1)%time*(2.0_pReal**real(max(inc-1,1)-loadCases(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd else ! not-1st load case of logarithmic scale timeinc = time0 * & ( (1.0_pReal + loadCases(l)%time/time0 )**(real( inc ,pReal)/& real(loadCases(l)%incs ,pReal))& -(1.0_pReal + loadCases(l)%time/time0 )**(real( inc-1 ,pReal)/& real(loadCases(l)%incs ,pReal))) endif endif timeinc = timeinc * real(subStepFactor,pReal)**real(-cutBackLevel,pReal) ! depending on cut back level, decrease time step skipping: if (totalIncsCounter <= interface_restartInc) then ! not yet at restart inc? time = time + timeinc ! just advance time, skip already performed calculation guess = .true. ! QUESTION:why forced guessing instead of inheriting loadcase preference else skipping stepFraction = 0 ! fraction scaled by stepFactor**cutLevel subStepLooping: do while (stepFraction < subStepFactor**cutBackLevel) remainingLoadCaseTime = loadCases(l)%time+time0 - time time = time + timeinc ! forward target time stepFraction = stepFraction + 1 ! count step !-------------------------------------------------------------------------------------------------- ! report begin of new step print'(/,a)', ' ###########################################################################' print'(1x,a,es12.5,6(a,i0))', & 'Time', time, & 's: Increment ', inc,'/',loadCases(l)%incs,& '-', stepFraction,'/',subStepFactor**cutBackLevel,& ' of load case ', l,'/',size(loadCases) write(incInfo,'(4(a,i0))') & 'Increment ',totalIncsCounter,'/',sum(loadCases%incs),& '-', stepFraction,'/',subStepFactor**cutBackLevel flush(IO_STDOUT) !-------------------------------------------------------------------------------------------------- ! forward fields do field = 1, nActiveFields select case(loadCases(l)%ID(field)) case(FIELD_MECH_ID) call mech_forward (& cutBack,guess,timeinc,timeIncOld,remainingLoadCaseTime, & deformation_BC = loadCases(l)%deformation, & stress_BC = loadCases(l)%stress, & rotation_BC = loadCases(l)%rot) case(FIELD_THERMAL_ID); call grid_thermal_spectral_forward(cutBack) case(FIELD_DAMAGE_ID); call grid_damage_spectral_forward(cutBack) end select enddo if(.not. cutBack) call CPFEM_forward !-------------------------------------------------------------------------------------------------- ! solve fields stagIter = 0 stagIterate = .true. do while (stagIterate) do field = 1, nActiveFields select case(loadCases(l)%ID(field)) case(FIELD_MECH_ID) solres(field) = mech_solution(incInfo) case(FIELD_THERMAL_ID) solres(field) = grid_thermal_spectral_solution(timeinc) case(FIELD_DAMAGE_ID) solres(field) = grid_damage_spectral_solution(timeinc) end select if (.not. solres(field)%converged) exit ! no solution found enddo stagIter = stagIter + 1 stagIterate = stagIter < stagItMax & .and. all(solres(:)%converged) & .and. .not. all(solres(:)%stagConverged) ! stationary with respect to staggered iteration enddo !-------------------------------------------------------------------------------------------------- ! check solution for either advance or retry if ( (all(solres(:)%converged .and. solres(:)%stagConverged)) & ! converged .and. .not. solres(1)%termIll) then ! and acceptable solution found call mech_updateCoords timeIncOld = timeinc cutBack = .false. guess = .true. ! start guessing after first converged (sub)inc if (worldrank == 0) then write(statUnit,*) totalIncsCounter, time, cutBackLevel, & solres%converged, solres%iterationsNeeded flush(statUnit) endif elseif (cutBackLevel < maxCutBack) then ! further cutbacking tolerated? cutBack = .true. stepFraction = (stepFraction - 1) * subStepFactor ! adjust to new denominator cutBackLevel = cutBackLevel + 1 time = time - timeinc ! rewind time timeinc = timeinc/real(subStepFactor,pReal) ! cut timestep print'(/,a)', ' cutting back ' else ! no more options to continue call IO_warning(850) if (worldrank == 0) close(statUnit) call quit(0) ! quit endif enddo subStepLooping cutBackLevel = max(0, cutBackLevel - 1) ! try half number of subincs next inc if (all(solres(:)%converged)) then print'(/,a,i0,a)', ' increment ', totalIncsCounter, ' converged' else print'(/,a,i0,a)', ' increment ', totalIncsCounter, ' NOT converged' endif; flush(IO_STDOUT) if (mod(inc,loadCases(l)%outputFrequency) == 0) then ! at output frequency print'(1/,a)', ' ... writing results to file ......................................' flush(IO_STDOUT) call CPFEM_results(totalIncsCounter,time) endif if (mod(inc,loadCases(l)%restartFrequency) == 0) then call mech_restartWrite call CPFEM_restartWrite endif endif skipping enddo incLooping enddo loadCaseLooping !-------------------------------------------------------------------------------------------------- ! report summary of whole calculation print'(/,a)', ' ###########################################################################' if (worldrank == 0) close(statUnit) call quit(0) ! no complains ;) end program DAMASK_grid