!-------------------------------------------------------------------------------------------------- !> @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_spectral #if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800 use, intrinsic :: iso_fortran_env, only: & compiler_version, & compiler_options #endif #include use PETScsys use prec, only: & pInt, & pLongInt, & pReal, & tol_math_check, & dNeq use system_routines, only: & getCWD use DAMASK_interface, only: & DAMASK_interface_init, & loadCaseFile, & geometryFile, & getSolverJobName, & appendToOutFile use IO, only: & IO_read, & IO_isBlank, & IO_open_file, & IO_stringPos, & IO_stringValue, & IO_floatValue, & IO_intValue, & IO_error, & IO_lc, & IO_intOut, & IO_warning, & IO_timeStamp, & IO_EOF use debug, only: & debug_level, & debug_spectral, & debug_levelBasic use math ! need to include the whole module for FFTW use mesh, only: & grid, & geomSize use CPFEM2, only: & CPFEM_initAll use FEsolving, only: & restartWrite, & restartInc use numerics, only: & worldrank, & worldsize, & stagItMax, & maxCutBack, & spectral_solver, & continueCalculation use homogenization, only: & materialpoint_sizeResults, & materialpoint_results, & materialpoint_postResults use material, only: & thermal_type, & damage_type, & THERMAL_conduction_ID, & DAMAGE_nonlocal_ID use spectral_utilities, only: & utilities_init, & tSolutionState, & tLoadCase, & cutBack, & nActiveFields, & FIELD_UNDEFINED_ID, & FIELD_MECH_ID, & FIELD_THERMAL_ID, & FIELD_DAMAGE_ID use spectral_mech_Basic use spectral_mech_Polarisation use spectral_damage use spectral_thermal 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 integer(pInt), parameter :: FILEUNIT = 234_pInt !< file unit, DAMASK IO does not support newunit feature integer(pInt), allocatable, dimension(:) :: chunkPos integer(pInt) :: & N_t = 0_pInt, & !< # of time indicators found in load case file N_n = 0_pInt, & !< # of increment specifiers found in load case file N_def = 0_pInt !< # of rate of deformation specifiers found in load case file character(len=65536) :: & line !-------------------------------------------------------------------------------------------------- ! loop variables, convergence etc. real(pReal), dimension(3,3), parameter :: & ones = 1.0_pReal, & zeros = 0.0_pReal integer(pInt), parameter :: & subStepFactor = 2_pInt !< 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 integer(pInt) :: & i, j, k, l, field, & errorID, & cutBackLevel = 0_pInt, & !< cut back level \f$ t = \frac{t_{inc}}{2^l} \f$ stepFraction = 0_pInt !< fraction of current time interval integer(pInt) :: & currentLoadcase = 0_pInt, & !< current load case inc, & !< current increment in current load case totalIncsCounter = 0_pInt, & !< total # of increments convergedCounter = 0_pInt, & !< # of converged increments notConvergedCounter = 0_pInt, & !< # of non-converged increments resUnit = 0_pInt, & !< file unit for results writing statUnit = 0_pInt, & !< file unit for statistics output lastRestartWritten = 0_pInt, & !< total increment # at which last restart information was written stagIter character(len=6) :: loadcase_string character(len=1024) :: & incInfo, & !< string parsed to solution with information about current load case workingDir type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases type(tSolutionState), allocatable, dimension(:) :: solres integer(MPI_OFFSET_KIND) :: fileOffset integer(MPI_OFFSET_KIND), dimension(:), allocatable :: outputSize integer(pInt), parameter :: maxByteOut = 2147483647-4096 !< limit of one file output write https://trac.mpich.org/projects/mpich/ticket/1742 integer(pInt), parameter :: maxRealOut = maxByteOut/pReal integer(pLongInt), dimension(2) :: outputIndex integer :: ierr external :: & quit !-------------------------------------------------------------------------------------------------- ! init DAMASK (all modules) call CPFEM_initAll(el = 1_pInt, ip = 1_pInt) write(6,'(/,a)') ' <<<+- DAMASK_spectral init -+>>>' write(6,'(/,a,/)') ' Roters et al., Computational Materials Science, 2018' write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" !-------------------------------------------------------------------------------------------------- ! 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 basic information from load case file and allocate data structure containing load cases call IO_open_file(FILEUNIT,trim(loadCaseFile)) rewind(FILEUNIT) do line = IO_read(FILEUNIT) if (trim(line) == IO_EOF) exit if (IO_isBlank(line)) cycle ! skip empty lines chunkPos = IO_stringPos(line) do i = 1_pInt, chunkPos(1) ! reading compulsory parameters for loadcase select case (IO_lc(IO_stringValue(line,chunkPos,i))) case('l','velocitygrad','velgrad','velocitygradient','fdot','dotf','f') N_def = N_def + 1_pInt case('t','time','delta') N_t = N_t + 1_pInt case('n','incs','increments','steps','logincs','logincrements','logsteps') N_n = N_n + 1_pInt end select enddo ! count all identifiers to allocate memory and do sanity check enddo if ((N_def /= N_n) .or. (N_n /= N_t) .or. N_n < 1_pInt) & ! sanity check call IO_error(error_ID=837_pInt,ext_msg = trim(loadCaseFile)) ! error message for incomplete loadcase allocate (loadCases(N_n)) ! array of load cases loadCases%stress%myType='stress' do i = 1, size(loadCases) allocate(loadCases(i)%ID(nActiveFields)) field = 1 loadCases(i)%ID(field) = FIELD_MECH_ID ! mechanical active by default thermalActive: if (any(thermal_type == THERMAL_conduction_ID)) then field = field + 1 loadCases(i)%ID(field) = FIELD_THERMAL_ID endif thermalActive damageActive: if (any(damage_type == DAMAGE_nonlocal_ID)) then field = field + 1 loadCases(i)%ID(field) = FIELD_DAMAGE_ID endif damageActive enddo !-------------------------------------------------------------------------------------------------- ! reading the load case and assign values to the allocated data structure rewind(FILEUNIT) do line = IO_read(FILEUNIT) if (trim(line) == IO_EOF) exit if (IO_isBlank(line)) cycle ! skip empty lines currentLoadCase = currentLoadCase + 1_pInt chunkPos = IO_stringPos(line) do i = 1_pInt, chunkPos(1) select case (IO_lc(IO_stringValue(line,chunkPos,i))) case('fdot','dotf','l','velocitygrad','velgrad','velocitygradient','f') ! assign values for the deformation BC matrix temp_valueVector = 0.0_pReal if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'fdot'.or. & ! in case of Fdot, set type to fdot IO_lc(IO_stringValue(line,chunkPos,i)) == 'dotf') then loadCases(currentLoadCase)%deformation%myType = 'fdot' else if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'f') then loadCases(currentLoadCase)%deformation%myType = 'f' else loadCases(currentLoadCase)%deformation%myType = 'l' endif do j = 1_pInt, 9_pInt temp_maskVector(j) = IO_stringValue(line,chunkPos,i+j) /= '*' ! true if not a * if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j) ! read value where applicable enddo loadCases(currentLoadCase)%deformation%maskLogical = & ! logical mask in 3x3 notation transpose(reshape(temp_maskVector,[ 3,3])) loadCases(currentLoadCase)%deformation%maskFloat = & ! float (1.0/0.0) mask in 3x3 notation merge(ones,zeros,loadCases(currentLoadCase)%deformation%maskLogical) loadCases(currentLoadCase)%deformation%values = math_plain9to33(temp_valueVector) ! values in 3x3 notation case('p','pk1','piolakirchhoff','stress', 's') temp_valueVector = 0.0_pReal do j = 1_pInt, 9_pInt temp_maskVector(j) = IO_stringValue(line,chunkPos,i+j) /= '*' ! true if not an asterisk if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j) ! read value where applicable enddo loadCases(currentLoadCase)%stress%maskLogical = transpose(reshape(temp_maskVector,[ 3,3])) loadCases(currentLoadCase)%stress%maskFloat = merge(ones,zeros,& loadCases(currentLoadCase)%stress%maskLogical) loadCases(currentLoadCase)%stress%values = math_plain9to33(temp_valueVector) case('t','time','delta') ! increment time loadCases(currentLoadCase)%time = IO_floatValue(line,chunkPos,i+1_pInt) case('n','incs','increments','steps') ! number of increments loadCases(currentLoadCase)%incs = IO_intValue(line,chunkPos,i+1_pInt) case('logincs','logincrements','logsteps') ! number of increments (switch to log time scaling) loadCases(currentLoadCase)%incs = IO_intValue(line,chunkPos,i+1_pInt) loadCases(currentLoadCase)%logscale = 1_pInt case('freq','frequency','outputfreq') ! frequency of result writings loadCases(currentLoadCase)%outputfrequency = IO_intValue(line,chunkPos,i+1_pInt) case('r','restart','restartwrite') ! frequency of writing restart information loadCases(currentLoadCase)%restartfrequency = & max(0_pInt,IO_intValue(line,chunkPos,i+1_pInt)) case('guessreset','dropguessing') loadCases(currentLoadCase)%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory case('euler') ! rotation of currentLoadCase given in euler angles temp_valueVector = 0.0_pReal l = 1_pInt ! assuming values given in degrees k = 1_pInt ! assuming keyword indicating degree/radians present select case (IO_lc(IO_stringValue(line,chunkPos,i+1_pInt))) case('deg','degree') case('rad','radian') ! don't convert from degree to radian l = 0_pInt case default k = 0_pInt end select do j = 1_pInt, 3_pInt temp_valueVector(j) = IO_floatValue(line,chunkPos,i+k+j) enddo if (l == 1_pInt) temp_valueVector(1:3) = temp_valueVector(1:3) * inRad ! convert to rad loadCases(currentLoadCase)%rotation = math_EulerToR(temp_valueVector(1:3)) ! convert rad Eulers to rotation matrix case('rotation','rot') ! assign values for the rotation of currentLoadCase matrix temp_valueVector = 0.0_pReal do j = 1_pInt, 9_pInt temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j) enddo loadCases(currentLoadCase)%rotation = math_plain9to33(temp_valueVector) end select enddo; enddo close(FILEUNIT) !-------------------------------------------------------------------------------------------------- ! consistency checks and output of load case loadCases(1)%followFormerTrajectory = .false. ! cannot guess along trajectory for first inc of first currentLoadCase errorID = 0_pInt if (worldrank == 0) then checkLoadcases: do currentLoadCase = 1_pInt, size(loadCases) write (loadcase_string, '(i6)' ) currentLoadCase write(6,'(1x,a,i6)') 'load case: ', currentLoadCase if (.not. loadCases(currentLoadCase)%followFormerTrajectory) & write(6,'(2x,a)') 'drop guessing along trajectory' if (loadCases(currentLoadCase)%deformation%myType == 'l') then do j = 1_pInt, 3_pInt if (any(loadCases(currentLoadCase)%deformation%maskLogical(j,1:3) .eqv. .true.) .and. & any(loadCases(currentLoadCase)%deformation%maskLogical(j,1:3) .eqv. .false.)) & errorID = 832_pInt ! each row should be either fully or not at all defined enddo write(6,'(2x,a)') 'velocity gradient:' else if (loadCases(currentLoadCase)%deformation%myType == 'f') then write(6,'(2x,a)') 'deformation gradient at end of load case:' else write(6,'(2x,a)') 'deformation gradient rate:' endif do i = 1_pInt, 3_pInt; do j = 1_pInt, 3_pInt if(loadCases(currentLoadCase)%deformation%maskLogical(i,j)) then write(6,'(2x,f12.7)',advance='no') loadCases(currentLoadCase)%deformation%values(i,j) else write(6,'(2x,12a)',advance='no') ' * ' endif enddo; write(6,'(/)',advance='no') enddo if (any(loadCases(currentLoadCase)%stress%maskLogical .eqv. & loadCases(currentLoadCase)%deformation%maskLogical)) errorID = 831_pInt ! exclusive or masking only if (any(loadCases(currentLoadCase)%stress%maskLogical .and. & transpose(loadCases(currentLoadCase)%stress%maskLogical) .and. & reshape([ .false.,.true.,.true.,.true.,.false.,.true.,.true.,.true.,.false.],[ 3,3]))) & errorID = 838_pInt ! no rotation is allowed by stress BC write(6,'(2x,a)') 'stress / GPa:' do i = 1_pInt, 3_pInt; do j = 1_pInt, 3_pInt if(loadCases(currentLoadCase)%stress%maskLogical(i,j)) then write(6,'(2x,f12.7)',advance='no') loadCases(currentLoadCase)%stress%values(i,j)*1e-9_pReal else write(6,'(2x,12a)',advance='no') ' * ' endif enddo; write(6,'(/)',advance='no') enddo if (any(abs(math_mul33x33(loadCases(currentLoadCase)%rotation, & math_transpose33(loadCases(currentLoadCase)%rotation))-math_I3) > & reshape(spread(tol_math_check,1,9),[ 3,3]))& .or. abs(math_det33(loadCases(currentLoadCase)%rotation)) > & 1.0_pReal + tol_math_check) errorID = 846_pInt ! given rotation matrix contains strain if (any(dNeq(loadCases(currentLoadCase)%rotation, math_I3))) & write(6,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'rotation of loadframe:',& math_transpose33(loadCases(currentLoadCase)%rotation) if (loadCases(currentLoadCase)%time < 0.0_pReal) errorID = 834_pInt ! negative time increment write(6,'(2x,a,f12.6)') 'time: ', loadCases(currentLoadCase)%time if (loadCases(currentLoadCase)%incs < 1_pInt) errorID = 835_pInt ! non-positive incs count write(6,'(2x,a,i5)') 'increments: ', loadCases(currentLoadCase)%incs if (loadCases(currentLoadCase)%outputfrequency < 1_pInt) errorID = 836_pInt ! non-positive result frequency write(6,'(2x,a,i5)') 'output frequency: ', & loadCases(currentLoadCase)%outputfrequency write(6,'(2x,a,i5,/)') 'restart frequency: ', & loadCases(currentLoadCase)%restartfrequency if (errorID > 0_pInt) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message enddo checkLoadcases endif !-------------------------------------------------------------------------------------------------- ! doing initialization depending on selected solver call Utilities_init() do field = 1, nActiveFields select case (loadCases(1)%ID(field)) case(FIELD_MECH_ID) select case (spectral_solver) case (DAMASK_spectral_SolverBasic_label) call basic_init case (DAMASK_spectral_SolverPolarisation_label) if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) & call IO_warning(42_pInt, ext_msg='debug Divergence') call Polarisation_init case default call IO_error(error_ID = 891_pInt, ext_msg = trim(spectral_solver)) end select case(FIELD_THERMAL_ID) call spectral_thermal_init case(FIELD_DAMAGE_ID) call spectral_damage_init() end select enddo !-------------------------------------------------------------------------------------------------- ! write header of output file if (worldrank == 0) then if (.not. appendToOutFile) then ! after restart, append to existing results file if (getCWD(workingDir)) call IO_error(106_pInt,ext_msg=trim(workingDir)) open(newunit=resUnit,file=trim(getSolverJobName())//& '.spectralOut',form='UNFORMATTED',status='REPLACE') write(resUnit) 'load:', trim(loadCaseFile) ! ... and write header write(resUnit) 'workingdir:', trim(workingDir) write(resUnit) 'geometry:', trim(geometryFile) write(resUnit) 'grid:', grid write(resUnit) 'size:', geomSize write(resUnit) 'materialpoint_sizeResults:', materialpoint_sizeResults write(resUnit) 'loadcases:', size(loadCases) write(resUnit) 'frequencies:', loadCases%outputfrequency ! one entry per LoadCase write(resUnit) 'times:', loadCases%time ! one entry per LoadCase write(resUnit) 'logscales:', loadCases%logscale write(resUnit) 'increments:', loadCases%incs ! one entry per LoadCase write(resUnit) 'startingIncrement:', restartInc ! start with writing out the previous inc write(resUnit) 'eoh' close(resUnit) ! end of header open(newunit=statUnit,file=trim(getSolverJobName())//& '.sta',form='FORMATTED',status='REPLACE') write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file if (iand(debug_level(debug_spectral),debug_levelBasic) /= 0) & write(6,'(/,a)') ' header of result and statistics file written out' flush(6) else ! open new files ... open(newunit=statUnit,file=trim(getSolverJobName())//& '.sta',form='FORMATTED', position='APPEND', status='OLD') endif endif !-------------------------------------------------------------------------------------------------- ! prepare MPI parallel out (including opening of file) allocate(outputSize(worldsize), source = 0_MPI_OFFSET_KIND) outputSize(worldrank+1) = size(materialpoint_results,kind=MPI_OFFSET_KIND)*int(pReal,MPI_OFFSET_KIND) call MPI_allreduce(MPI_IN_PLACE,outputSize,worldsize,MPI_LONG,MPI_SUM,PETSC_COMM_WORLD,ierr) ! get total output size over each process if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_allreduce') call MPI_file_open(PETSC_COMM_WORLD, trim(getSolverJobName())//'.spectralOut', & MPI_MODE_WRONLY + MPI_MODE_APPEND, & MPI_INFO_NULL, & resUnit, & ierr) if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_open') call MPI_file_get_position(resUnit,fileOffset,ierr) ! get offset from header if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_get_position') fileOffset = fileOffset + sum(outputSize(1:worldrank)) ! offset of my process in file (header + processes before me) call MPI_file_seek (resUnit,fileOffset,MPI_SEEK_SET,ierr) if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_seek') if (.not. appendToOutFile) then ! if not restarting, write 0th increment write(6,'(1/,a)') ' ... writing initial configuration to file ........................' do i = 1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output outputIndex = int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, & ! QUESTION: why not starting i at 0 instead of murky 1? min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt) call MPI_file_write(resUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)), & [(outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)]), & int((outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)), & MPI_DOUBLE, MPI_STATUS_IGNORE, ierr) if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_write') enddo fileOffset = fileOffset + sum(outputSize) ! forward to current file position endif !-------------------------------------------------------------------------------------------------- ! looping over loadcases loadCaseLooping: do currentLoadCase = 1_pInt, size(loadCases) time0 = time ! currentLoadCase start time guess = loadCases(currentLoadCase)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc !-------------------------------------------------------------------------------------------------- ! loop over incs defined in input file for current currentLoadCase incLooping: do inc = 1_pInt, loadCases(currentLoadCase)%incs totalIncsCounter = totalIncsCounter + 1_pInt !-------------------------------------------------------------------------------------------------- ! forwarding time timeIncOld = timeinc ! last timeinc that brought former inc to an end if (loadCases(currentLoadCase)%logscale == 0_pInt) then ! linear scale timeinc = loadCases(currentLoadCase)%time/real(loadCases(currentLoadCase)%incs,pReal) else if (currentLoadCase == 1_pInt) then ! 1st currentLoadCase of logarithmic scale if (inc == 1_pInt) then ! 1st inc of 1st currentLoadCase of logarithmic scale timeinc = loadCases(1)%time*(2.0_pReal**real( 1_pInt-loadCases(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd else ! not-1st inc of 1st currentLoadCase of logarithmic scale timeinc = loadCases(1)%time*(2.0_pReal**real(inc-1_pInt-loadCases(1)%incs ,pReal)) endif else ! not-1st currentLoadCase of logarithmic scale timeinc = time0 * & ( (1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc ,pReal)/& real(loadCases(currentLoadCase)%incs ,pReal))& -(1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc-1_pInt ,pReal)/& real(loadCases(currentLoadCase)%incs ,pReal))) endif endif timeinc = timeinc * real(subStepFactor,pReal)**real(-cutBackLevel,pReal) ! depending on cut back level, decrease time step skipping: if (totalIncsCounter <= 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_pInt ! fraction scaled by stepFactor**cutLevel !-------------------------------------------------------------------------------------------------- ! loop over sub step subStepLooping: do while (stepFraction < subStepFactor**cutBackLevel) remainingLoadCaseTime = loadCases(currentLoadCase)%time+time0 - time time = time + timeinc ! forward target time stepFraction = stepFraction + 1_pInt ! count step !-------------------------------------------------------------------------------------------------- ! report begin of new step write(6,'(/,a)') ' ###########################################################################' write(6,'(1x,a,es12.5'//& ',a,'//IO_intOut(inc) //',a,'//IO_intOut(loadCases(currentLoadCase)%incs)//& ',a,'//IO_intOut(stepFraction) //',a,'//IO_intOut(subStepFactor**cutBackLevel)//& ',a,'//IO_intOut(currentLoadCase)//',a,'//IO_intOut(size(loadCases))//')') & 'Time', time, & 's: Increment ', inc,'/',loadCases(currentLoadCase)%incs,& '-', stepFraction,'/',subStepFactor**cutBackLevel,& ' of load case ', currentLoadCase,'/',size(loadCases) write(incInfo,& '(a,'//IO_intOut(totalIncsCounter)//& ',a,'//IO_intOut(sum(loadCases%incs))//& ',a,'//IO_intOut(stepFraction)//& ',a,'//IO_intOut(subStepFactor**cutBackLevel)//')') & 'Increment ',totalIncsCounter,'/',sum(loadCases%incs),& '-', stepFraction,'/',subStepFactor**cutBackLevel flush(6) !-------------------------------------------------------------------------------------------------- ! forward fields do field = 1, nActiveFields select case(loadCases(currentLoadCase)%ID(field)) case(FIELD_MECH_ID) select case (spectral_solver) case (DAMASK_spectral_SolverBasic_label) call Basic_forward (& guess,timeinc,timeIncOld,remainingLoadCaseTime, & deformation_BC = loadCases(currentLoadCase)%deformation, & stress_BC = loadCases(currentLoadCase)%stress, & rotation_BC = loadCases(currentLoadCase)%rotation) case (DAMASK_spectral_SolverPolarisation_label) call Polarisation_forward (& guess,timeinc,timeIncOld,remainingLoadCaseTime, & deformation_BC = loadCases(currentLoadCase)%deformation, & stress_BC = loadCases(currentLoadCase)%stress, & rotation_BC = loadCases(currentLoadCase)%rotation) end select case(FIELD_THERMAL_ID); call spectral_thermal_forward() case(FIELD_DAMAGE_ID); call spectral_damage_forward() end select enddo !-------------------------------------------------------------------------------------------------- ! solve fields stagIter = 0_pInt stagIterate = .true. do while (stagIterate) do field = 1, nActiveFields select case(loadCases(currentLoadCase)%ID(field)) case(FIELD_MECH_ID) select case (spectral_solver) case (DAMASK_spectral_SolverBasic_label) solres(field) = Basic_solution (& incInfo,timeinc,timeIncOld, & stress_BC = loadCases(currentLoadCase)%stress, & rotation_BC = loadCases(currentLoadCase)%rotation) case (DAMASK_spectral_SolverPolarisation_label) solres(field) = Polarisation_solution (& incInfo,timeinc,timeIncOld, & stress_BC = loadCases(currentLoadCase)%stress, & rotation_BC = loadCases(currentLoadCase)%rotation) end select case(FIELD_THERMAL_ID) solres(field) = spectral_thermal_solution(timeinc,timeIncOld,remainingLoadCaseTime) case(FIELD_DAMAGE_ID) solres(field) = spectral_damage_solution(timeinc,timeIncOld,remainingLoadCaseTime) end select if (.not. solres(field)%converged) exit ! no solution found enddo stagIter = stagIter + 1_pInt 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 ( (continueCalculation .or. all(solres(:)%converged .and. solres(:)%stagConverged)) & ! don't care or did converge .and. .not. solres(1)%termIll) then ! and acceptable solution found 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_pInt) * subStepFactor ! adjust to new denominator cutBackLevel = cutBackLevel + 1_pInt time = time - timeinc ! rewind time timeinc = timeinc/real(subStepFactor,pReal) ! cut timestep write(6,'(/,a)') ' cutting back ' else ! no more options to continue call IO_warning(850_pInt) call MPI_file_close(resUnit,ierr) close(statUnit) call quit(-1_pInt*(lastRestartWritten+1_pInt)) ! quit and provide information about last restart inc written endif enddo subStepLooping cutBackLevel = max(0_pInt, cutBackLevel - 1_pInt) ! try half number of subincs next inc if (all(solres(:)%converged)) then convergedCounter = convergedCounter + 1_pInt write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report converged inc ' increment ', totalIncsCounter, ' converged' else notConvergedCounter = notConvergedCounter + 1_pInt write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report non-converged inc ' increment ', totalIncsCounter, ' NOT converged' endif; flush(6) if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency write(6,'(1/,a)') ' ... writing results to file ......................................' flush(6) call materialpoint_postResults() call MPI_file_seek (resUnit,fileOffset,MPI_SEEK_SET,ierr) if (ierr /= 0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_seek') do i=1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output outputIndex=int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, & min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt) call MPI_file_write(resUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)),& [(outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)]), & int((outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)),& MPI_DOUBLE, MPI_STATUS_IGNORE, ierr) if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_write') enddo fileOffset = fileOffset + sum(outputSize) ! forward to current file position endif if ( loadCases(currentLoadCase)%restartFrequency > 0_pInt & ! writing of restart info requested ... .and. mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! ... and at frequency of writing restart information restartWrite = .true. ! set restart parameter for FEsolving lastRestartWritten = inc ! QUESTION: first call to CPFEM_general will write? endif endif skipping enddo incLooping enddo loadCaseLooping !-------------------------------------------------------------------------------------------------- ! report summary of whole calculation write(6,'(/,a)') ' ###########################################################################' write(6,'(1x,'//IO_intOut(convergedCounter)//',a,'//IO_intOut(notConvergedCounter + convergedCounter)//',a,f5.1,a)') & convergedCounter, ' out of ', & notConvergedCounter + convergedCounter, ' (', & real(convergedCounter, pReal)/& real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, & ' %) increments converged!' flush(6) call MPI_file_close(resUnit,ierr) close(statUnit) if (notConvergedCounter > 0_pInt) call quit(3_pInt) ! error if some are not converged call quit(0_pInt) ! no complains ;) end program DAMASK_spectral !-------------------------------------------------------------------------------------------------- !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @brief quit subroutine to mimic behavior of FEM solvers !> @details exits the Spectral solver and reports time and duration. Exit code 0 signals !> everything went fine. Exit code 1 signals an error, message according to IO_error. Exit code !> 2 signals no converged solution and increment of last saved restart information is written to !> stderr. Exit code 3 signals no severe problems, but some increments did not converge !-------------------------------------------------------------------------------------------------- subroutine quit(stop_id) #include use MPI use prec, only: & pInt implicit none integer(pInt), intent(in) :: stop_id integer, dimension(8) :: dateAndTime ! type default integer integer(pInt) :: error = 0_pInt PetscErrorCode :: ierr = 0 logical :: ErrorInQuit external :: & PETScFinalize call PETScFinalize(ierr) if (ierr /= 0) write(6,'(a)') ' Error in PETScFinalize' #ifdef _OPENMP call MPI_finalize(error) if (error /= 0) write(6,'(a)') ' Error in MPI_finalize' #endif ErrorInQuit = (ierr /= 0 .or. error /= 0_pInt) call date_and_time(values = dateAndTime) write(6,'(/,a)') 'DAMASK terminated on:' write(6,'(a,2(i2.2,a),i4.4)') 'Date: ',dateAndTime(3),'/',& dateAndTime(2),'/',& dateAndTime(1) write(6,'(a,2(i2.2,a),i2.2)') 'Time: ',dateAndTime(5),':',& dateAndTime(6),':',& dateAndTime(7) if (stop_id == 0_pInt .and. .not. ErrorInQuit) stop 0 ! normal termination if (stop_id < 0_pInt .and. .not. ErrorInQuit) then ! terminally ill, restart might help write(0,'(a,i6)') 'restart information available at ', stop_id*(-1_pInt) stop 2 endif if (stop_id == 3_pInt .and. .not. ErrorInQuit) stop 3 ! not all incs converged stop 1 ! error (message from IO_error) end subroutine quit