!-------------------------------------------------------------------------------------------------- !> @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 #include use PETScsys use prec use DAMASK_interface use IO use config use debug use math use mesh use CPFEM2 use FEsolving use numerics use homogenization 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 HDF5_utilities use results use rotations 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, allocatable, dimension(:) :: chunkPos integer :: & N_t = 0, & !< # of time indicators found in load case file N_n = 0, & !< # of increment specifiers found in load case file N_def = 0 !< # 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, 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 integer :: & i, j, k, l, field, & errorID = 0, & cutBackLevel = 0, & !< cut back level \f$ t = \frac{t_{inc}}{2^l} \f$ stepFraction = 0 !< fraction of current time interval integer :: & currentLoadcase = 0, & !< current load case inc, & !< current increment in current load case totalIncsCounter = 0, & !< total # of increments convergedCounter = 0, & !< # of converged increments notConvergedCounter = 0, & !< # of non-converged increments fileUnit = 0, & !< file unit for reading load case and writing results myStat, & statUnit = 0, & !< file unit for statistics output lastRestartWritten = 0, & !< total increment # at which last restart information was written stagIter character(len=6) :: loadcase_string character(len=1024) :: & incInfo type(rotation) :: R type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases type(tLoadCase) :: newLoadCase type(tSolutionState), allocatable, dimension(:) :: solres integer(MPI_OFFSET_KIND) :: fileOffset integer(MPI_OFFSET_KIND), dimension(:), allocatable :: outputSize integer, parameter :: maxByteOut = 2147483647-4096 !< limit of one file output write https://trac.mpich.org/projects/mpich/ticket/1742 integer, parameter :: maxRealOut = maxByteOut/pReal integer(pLongInt), dimension(2) :: outputIndex PetscErrorCode :: ierr 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 external :: & quit !-------------------------------------------------------------------------------------------------- ! init DAMASK (all modules) call CPFEM_initAll write(6,'(/,a)') ' <<<+- DAMASK_spectral init -+>>>' write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019' write(6,'(a)') ' 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)) allocate(newLoadCase%ID(nActiveFields)) !-------------------------------------------------------------------------------------------------- ! assign mechanics solver depending on selected type select case (trim(config_numerics%getString('spectral_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 case ('polarisation') if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) & 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 case ('fem') if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) & 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 case default call IO_error(error_ID = 891, ext_msg = config_numerics%getString('spectral_solver')) end select !-------------------------------------------------------------------------------------------------- ! reading information from load case file and to sanity checks allocate (loadCases(0)) ! array of load cases open(newunit=fileunit,iostat=myStat,file=trim(loadCaseFile),action='read') if (myStat /= 0) call IO_error(100,el=myStat,ext_msg=trim(loadCaseFile)) do read(fileUnit, '(A)', iostat=myStat) line if ( myStat /= 0) exit if (IO_isBlank(line)) cycle ! skip empty lines currentLoadCase = currentLoadCase + 1 chunkPos = IO_stringPos(line) do i = 1, 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 case('t','time','delta') N_t = N_t + 1 case('n','incs','increments','steps','logincs','logincrements','logsteps') N_n = N_n + 1 end select enddo if ((N_def /= N_n) .or. (N_n /= N_t) .or. N_n < 1) & ! sanity check call IO_error(error_ID=837,el=currentLoadCase,ext_msg = trim(loadCaseFile)) ! error message for incomplete loadcase newLoadCase%stress%myType='stress' field = 1 newLoadCase%ID(field) = FIELD_MECH_ID ! mechanical active by default thermalActive: if (any(thermal_type == THERMAL_conduction_ID)) then field = field + 1 newLoadCase%ID(field) = FIELD_THERMAL_ID endif thermalActive damageActive: if (any(damage_type == DAMAGE_nonlocal_ID)) then field = field + 1 newLoadCase%ID(field) = FIELD_DAMAGE_ID endif damageActive readIn: do i = 1, 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 newLoadCase%deformation%myType = 'fdot' else if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'f') then newLoadCase%deformation%myType = 'f' else newLoadCase%deformation%myType = 'l' endif do j = 1, 9 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 newLoadCase%deformation%maskLogical = transpose(reshape(temp_maskVector,[ 3,3])) ! logical mask in 3x3 notation newLoadCase%deformation%maskFloat = merge(ones,zeros,newLoadCase%deformation%maskLogical)! float (1.0/0.0) mask in 3x3 notation newLoadCase%deformation%values = math_9to33(temp_valueVector) ! values in 3x3 notation case('p','pk1','piolakirchhoff','stress', 's') temp_valueVector = 0.0_pReal do j = 1, 9 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 newLoadCase%stress%maskLogical = transpose(reshape(temp_maskVector,[ 3,3])) newLoadCase%stress%maskFloat = merge(ones,zeros,newLoadCase%stress%maskLogical) newLoadCase%stress%values = math_9to33(temp_valueVector) case('t','time','delta') ! increment time newLoadCase%time = IO_floatValue(line,chunkPos,i+1) case('n','incs','increments','steps') ! number of increments newLoadCase%incs = IO_intValue(line,chunkPos,i+1) case('logincs','logincrements','logsteps') ! number of increments (switch to log time scaling) newLoadCase%incs = IO_intValue(line,chunkPos,i+1) newLoadCase%logscale = 1 case('freq','frequency','outputfreq') ! frequency of result writings newLoadCase%outputfrequency = IO_intValue(line,chunkPos,i+1) case('r','restart','restartwrite') ! frequency of writing restart information newLoadCase%restartfrequency = IO_intValue(line,chunkPos,i+1) case('guessreset','dropguessing') newLoadCase%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory case('euler') ! rotation of load case given in euler angles temp_valueVector = 0.0_pReal l = 1 ! assuming values given in degrees k = 1 ! assuming keyword indicating degree/radians present select case (IO_lc(IO_stringValue(line,chunkPos,i+1))) case('deg','degree') case('rad','radian') ! don't convert from degree to radian l = 0 case default k = 0 end select do j = 1, 3 temp_valueVector(j) = IO_floatValue(line,chunkPos,i+k+j) enddo call R%fromEulers(temp_valueVector(1:3),degrees=(l==1)) newLoadCase%rotation = R%asMatrix() case('rotation','rot') ! assign values for the rotation matrix temp_valueVector = 0.0_pReal do j = 1, 9 temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j) enddo newLoadCase%rotation = math_9to33(temp_valueVector) end select enddo readIn newLoadCase%followFormerTrajectory = merge(.true.,.false.,currentLoadCase > 1) ! by default, guess from previous load case reportAndCheck: if (worldrank == 0) then write (loadcase_string, '(i6)' ) currentLoadCase write(6,'(/,1x,a,i6)') 'load case: ', currentLoadCase if (.not. newLoadCase%followFormerTrajectory) write(6,'(2x,a)') 'drop guessing along trajectory' if (newLoadCase%deformation%myType == 'l') then do j = 1, 3 if (any(newLoadCase%deformation%maskLogical(j,1:3) .eqv. .true.) .and. & any(newLoadCase%deformation%maskLogical(j,1:3) .eqv. .false.)) errorID = 832 ! each row should be either fully or not at all defined enddo write(6,'(2x,a)') 'velocity gradient:' else if (newLoadCase%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, 3; do j = 1, 3 if(newLoadCase%deformation%maskLogical(i,j)) then write(6,'(2x,f12.7)',advance='no') newLoadCase%deformation%values(i,j) else write(6,'(2x,12a)',advance='no') ' * ' endif enddo; write(6,'(/)',advance='no') enddo if (any(newLoadCase%stress%maskLogical .eqv. & newLoadCase%deformation%maskLogical)) errorID = 831 ! exclusive or masking only if (any(newLoadCase%stress%maskLogical .and. & transpose(newLoadCase%stress%maskLogical) .and. & reshape([ .false.,.true.,.true.,.true.,.false.,.true.,.true.,.true.,.false.],[ 3,3]))) & errorID = 838 ! no rotation is allowed by stress BC write(6,'(2x,a)') 'stress / GPa:' do i = 1, 3; do j = 1, 3 if(newLoadCase%stress%maskLogical(i,j)) then write(6,'(2x,f12.7)',advance='no') newLoadCase%stress%values(i,j)*1e-9_pReal else write(6,'(2x,12a)',advance='no') ' * ' endif enddo; write(6,'(/)',advance='no') enddo if (any(abs(matmul(newLoadCase%rotation, & transpose(newLoadCase%rotation))-math_I3) > & reshape(spread(tol_math_check,1,9),[ 3,3]))& .or. abs(math_det33(newLoadCase%rotation)) > & 1.0_pReal + tol_math_check) errorID = 846 ! given rotation matrix contains strain if (any(dNeq(newLoadCase%rotation, math_I3))) & write(6,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'rotation of loadframe:',& transpose(newLoadCase%rotation) if (newLoadCase%time < 0.0_pReal) errorID = 834 ! negative time increment write(6,'(2x,a,f12.6)') 'time: ', newLoadCase%time if (newLoadCase%incs < 1) errorID = 835 ! non-positive incs count write(6,'(2x,a,i5)') 'increments: ', newLoadCase%incs if (newLoadCase%outputfrequency < 1) errorID = 836 ! non-positive result frequency write(6,'(2x,a,i5)') 'output frequency: ', newLoadCase%outputfrequency if (newLoadCase%restartfrequency < 1) errorID = 839 ! non-positive restart frequency if (newLoadCase%restartfrequency < huge(0)) & write(6,'(2x,a,i5)') 'restart frequency: ', newLoadCase%restartfrequency if (errorID > 0) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message endif reportAndCheck loadCases = [loadCases,newLoadCase] ! load case is ok, append it enddo close(fileUnit) call results_openJobFile call HDF5_closeGroup(results_addGroup('geometry')) call results_addAttribute('grid',grid,'geometry') call results_addAttribute('size',geomSize,'geometry') call results_closeJobFile !-------------------------------------------------------------------------------------------------- ! doing initialization depending on active solvers call 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=fileUnit,file=trim(getSolverJobName())//& '.spectralOut',form='UNFORMATTED',status='REPLACE') write(fileUnit) 'load:', trim(loadCaseFile) ! ... and write header write(fileUnit) 'workingdir:', 'n/a' write(fileUnit) 'geometry:', trim(geometryFile) write(fileUnit) 'grid:', grid write(fileUnit) 'size:', geomSize write(fileUnit) 'materialpoint_sizeResults:', materialpoint_sizeResults write(fileUnit) 'loadcases:', size(loadCases) write(fileUnit) 'frequencies:', loadCases%outputfrequency ! one entry per LoadCase write(fileUnit) 'times:', loadCases%time ! one entry per LoadCase write(fileUnit) 'logscales:', loadCases%logscale write(fileUnit) 'increments:', loadCases%incs ! one entry per LoadCase write(fileUnit) 'startingIncrement:', interface_restartInc ! start with writing out the previous inc write(fileUnit) 'eoh' close(fileUnit) ! 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 writeHeader open(newunit=statUnit,file=trim(getSolverJobName())//& '.sta',form='FORMATTED', position='APPEND', status='OLD') endif writeHeader 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) call IO_error(error_ID=894, ext_msg='MPI_allreduce') call MPI_file_open(PETSC_COMM_WORLD, trim(getSolverJobName())//'.spectralOut', & MPI_MODE_WRONLY + MPI_MODE_APPEND, & MPI_INFO_NULL, & fileUnit, & ierr) if (ierr /= 0) call IO_error(error_ID=894, ext_msg='MPI_file_open') call MPI_file_get_position(fileUnit,fileOffset,ierr) ! get offset from header if (ierr /= 0) call IO_error(error_ID=894, 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 (fileUnit,fileOffset,MPI_SEEK_SET,ierr) if (ierr /= 0) call IO_error(error_ID=894, ext_msg='MPI_file_seek') writeUndeformed: if (interface_restartInc < 1) then write(6,'(1/,a)') ' ... writing initial configuration to file ........................' call CPFEM_results(0,0.0_pReal) 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)*((maxRealOut)/materialpoint_sizeResults)+1, & min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt) call MPI_file_write(fileUnit,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) call IO_error(error_ID=894, ext_msg='MPI_file_write') enddo fileOffset = fileOffset + sum(outputSize) ! forward to current file position endif writeUndeformed loadCaseLooping: do currentLoadCase = 1, size(loadCases) time0 = time ! load case start time guess = loadCases(currentLoadCase)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc incLooping: do inc = 1, loadCases(currentLoadCase)%incs totalIncsCounter = totalIncsCounter + 1 !-------------------------------------------------------------------------------------------------- ! forwarding time timeIncOld = timeinc ! last timeinc that brought former inc to an end if (loadCases(currentLoadCase)%logscale == 0) then ! linear scale timeinc = loadCases(currentLoadCase)%time/real(loadCases(currentLoadCase)%incs,pReal) else if (currentLoadCase == 1) then ! 1st load case of logarithmic scale if (inc == 1) then ! 1st inc of 1st load case of logarithmic scale timeinc = loadCases(1)%time*(2.0_pReal**real( 1-loadCases(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd else ! not-1st inc of 1st load case of logarithmic scale timeinc = loadCases(1)%time*(2.0_pReal**real(inc-1-loadCases(1)%incs ,pReal)) endif else ! not-1st load case 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 ,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 <= 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(currentLoadCase)%time+time0 - time time = time + timeinc ! forward target time stepFraction = stepFraction + 1 ! 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) call mech_forward (& guess,timeinc,timeIncOld,remainingLoadCaseTime, & deformation_BC = loadCases(currentLoadCase)%deformation, & stress_BC = loadCases(currentLoadCase)%stress, & rotation_BC = loadCases(currentLoadCase)%rotation) case(FIELD_THERMAL_ID); call grid_thermal_spectral_forward case(FIELD_DAMAGE_ID); call grid_damage_spectral_forward end select enddo !-------------------------------------------------------------------------------------------------- ! solve fields stagIter = 0 stagIterate = .true. do while (stagIterate) do field = 1, nActiveFields select case(loadCases(currentLoadCase)%ID(field)) case(FIELD_MECH_ID) solres(field) = mech_solution (& incInfo,timeinc,timeIncOld, & stress_BC = loadCases(currentLoadCase)%stress, & rotation_BC = loadCases(currentLoadCase)%rotation) case(FIELD_THERMAL_ID) solres(field) = grid_thermal_spectral_solution(timeinc,timeIncOld,remainingLoadCaseTime) case(FIELD_DAMAGE_ID) solres(field) = grid_damage_spectral_solution(timeinc,timeIncOld,remainingLoadCaseTime) 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 ( (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) * subStepFactor ! adjust to new denominator cutBackLevel = cutBackLevel + 1 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) call MPI_File_close(fileUnit,ierr) close(statUnit) call quit(-1*(lastRestartWritten+1)) ! quit and provide information about last restart inc written endif enddo subStepLooping cutBackLevel = max(0, cutBackLevel - 1) ! try half number of subincs next inc if (all(solres(:)%converged)) then convergedCounter = convergedCounter + 1 write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report converged inc ' increment ', totalIncsCounter, ' converged' else notConvergedCounter = notConvergedCounter + 1 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) then ! at output frequency write(6,'(1/,a)') ' ... writing results to file ......................................' flush(6) call materialpoint_postResults() call MPI_File_seek (fileUnit,fileOffset,MPI_SEEK_SET,ierr) if (ierr /= 0) call IO_error(894, 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)*((maxRealOut)/materialpoint_sizeResults)+1, & min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt) call MPI_file_write(fileUnit,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) call IO_error(894, ext_msg='MPI_file_write') enddo fileOffset = fileOffset + sum(outputSize) ! forward to current file position call CPFEM_results(totalIncsCounter,time) endif if (mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0) then ! 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(fileUnit,ierr) close(statUnit) if (notConvergedCounter > 0) call quit(2) ! error if some are not converged call quit(0) ! no complains ;) end program DAMASK_spectral