499 lines
28 KiB
Fortran
499 lines
28 KiB
Fortran
!--------------------------------------------------------------------------------------------------
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!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief Driver controlling inner and outer load case looping of the various spectral solvers
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!> @details doing cutbacking, forwarding in case of restart, reporting statistics, writing
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!> results
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!--------------------------------------------------------------------------------------------------
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program DAMASK_spectral
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#include <petsc/finclude/petscsys.h>
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use PETScsys
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use prec
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use DAMASK_interface
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use IO
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use config
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use debug
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use math
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use CPFEM2
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use material
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use spectral_utilities
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use grid_mech_spectral_basic
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use grid_mech_spectral_polarisation
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use grid_mech_FEM
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use grid_damage_spectral
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use grid_thermal_spectral
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use results
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implicit none
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!--------------------------------------------------------------------------------------------------
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! variables related to information from load case and geom file
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real(pReal), dimension(9) :: temp_valueVector = 0.0_pReal !< temporarily from loadcase file when reading in tensors (initialize to 0.0)
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logical, dimension(9) :: temp_maskVector = .false. !< temporarily from loadcase file when reading in tensors
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integer, allocatable, dimension(:) :: chunkPos
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integer :: &
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N_t = 0, & !< # of time indicators found in load case file
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N_n = 0, & !< # of increment specifiers found in load case file
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N_def = 0 !< # of rate of deformation specifiers found in load case file
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character(len=pStringLen) :: &
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line
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!--------------------------------------------------------------------------------------------------
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! loop variables, convergence etc.
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real(pReal), dimension(3,3), parameter :: &
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ones = 1.0_pReal, &
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zeros = 0.0_pReal
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integer, parameter :: &
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subStepFactor = 2 !< for each substep, divide the last time increment by 2.0
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real(pReal) :: &
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time = 0.0_pReal, & !< elapsed time
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time0 = 0.0_pReal, & !< begin of interval
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timeinc = 1.0_pReal, & !< current time interval
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timeIncOld = 0.0_pReal, & !< previous time interval
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remainingLoadCaseTime = 0.0_pReal !< remaining time of current load case
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logical :: &
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guess, & !< guess along former trajectory
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stagIterate, &
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cutBack = .false.
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integer :: &
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i, j, k, l, field, &
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errorID = 0, &
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cutBackLevel = 0, & !< cut back level \f$ t = \frac{t_{inc}}{2^l} \f$
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stepFraction = 0 !< fraction of current time interval
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integer :: &
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currentLoadcase = 0, & !< current load case
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inc, & !< current increment in current load case
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totalIncsCounter = 0, & !< total # of increments
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statUnit = 0, & !< file unit for statistics output
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stagIter, &
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nActiveFields = 0
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character(len=pStringLen), dimension(:), allocatable :: fileContent
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character(len=pStringLen) :: &
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incInfo, &
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loadcase_string
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type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases
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type(tLoadCase) :: newLoadCase
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type(tSolutionState), allocatable, dimension(:) :: solres
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procedure(grid_mech_spectral_basic_init), pointer :: &
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mech_init
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procedure(grid_mech_spectral_basic_forward), pointer :: &
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mech_forward
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procedure(grid_mech_spectral_basic_solution), pointer :: &
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mech_solution
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procedure(grid_mech_spectral_basic_updateCoords), pointer :: &
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mech_updateCoords
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procedure(grid_mech_spectral_basic_restartWrite), pointer :: &
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mech_restartWrite
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external :: &
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quit
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!--------------------------------------------------------------------------------------------------
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! init DAMASK (all modules)
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call CPFEM_initAll
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write(6,'(/,a)') ' <<<+- DAMASK_spectral init -+>>>'; flush(6)
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write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019'
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write(6,'(a)') ' https://doi.org/10.1007/978-981-10-6855-3_80'
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!--------------------------------------------------------------------------------------------------
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! initialize field solver information
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nActiveFields = 1
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if (any(thermal_type == THERMAL_conduction_ID )) nActiveFields = nActiveFields + 1
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if (any(damage_type == DAMAGE_nonlocal_ID )) nActiveFields = nActiveFields + 1
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allocate(solres(nActiveFields))
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allocate(newLoadCase%ID(nActiveFields))
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!--------------------------------------------------------------------------------------------------
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! assign mechanics solver depending on selected type
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select case (trim(config_numerics%getString('spectral_solver',defaultVal='basic')))
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case ('basic')
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mech_init => grid_mech_spectral_basic_init
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mech_forward => grid_mech_spectral_basic_forward
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mech_solution => grid_mech_spectral_basic_solution
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mech_updateCoords => grid_mech_spectral_basic_updateCoords
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mech_restartWrite => grid_mech_spectral_basic_restartWrite
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case ('polarisation')
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if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) &
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call IO_warning(42, ext_msg='debug Divergence')
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mech_init => grid_mech_spectral_polarisation_init
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mech_forward => grid_mech_spectral_polarisation_forward
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mech_solution => grid_mech_spectral_polarisation_solution
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mech_updateCoords => grid_mech_spectral_polarisation_updateCoords
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mech_restartWrite => grid_mech_spectral_polarisation_restartWrite
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case ('fem')
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if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) &
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call IO_warning(42, ext_msg='debug Divergence')
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mech_init => grid_mech_FEM_init
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mech_forward => grid_mech_FEM_forward
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mech_solution => grid_mech_FEM_solution
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mech_updateCoords => grid_mech_FEM_updateCoords
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mech_restartWrite => grid_mech_FEM_restartWrite
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case default
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call IO_error(error_ID = 891, ext_msg = config_numerics%getString('spectral_solver'))
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end select
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!--------------------------------------------------------------------------------------------------
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! reading information from load case file and to sanity checks
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fileContent = IO_read_ASCII(trim(loadCaseFile))
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allocate (loadCases(0)) ! array of load cases
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do currentLoadCase = 1, size(fileContent)
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line = fileContent(currentLoadCase)
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if (IO_isBlank(line)) cycle
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chunkPos = IO_stringPos(line)
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do i = 1, chunkPos(1) ! reading compulsory parameters for loadcase
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select case (IO_lc(IO_stringValue(line,chunkPos,i)))
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case('l','fdot','dotf','f')
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N_def = N_def + 1
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case('t','time','delta')
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N_t = N_t + 1
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case('n','incs','increments','logincs','logincrements')
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N_n = N_n + 1
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end select
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enddo
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if ((N_def /= N_n) .or. (N_n /= N_t) .or. N_n < 1) & ! sanity check
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call IO_error(error_ID=837,el=currentLoadCase,ext_msg = trim(loadCaseFile)) ! error message for incomplete loadcase
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newLoadCase%stress%myType='stress'
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field = 1
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newLoadCase%ID(field) = FIELD_MECH_ID ! mechanical active by default
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thermalActive: if (any(thermal_type == THERMAL_conduction_ID)) then
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field = field + 1
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newLoadCase%ID(field) = FIELD_THERMAL_ID
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endif thermalActive
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damageActive: if (any(damage_type == DAMAGE_nonlocal_ID)) then
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field = field + 1
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newLoadCase%ID(field) = FIELD_DAMAGE_ID
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endif damageActive
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call newLoadCase%rot%fromEulers(real([0.0,0.0,0.0],pReal))
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readIn: do i = 1, chunkPos(1)
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select case (IO_lc(IO_stringValue(line,chunkPos,i)))
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case('fdot','dotf','l','f') ! assign values for the deformation BC matrix
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temp_valueVector = 0.0_pReal
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if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'fdot'.or. & ! in case of Fdot, set type to fdot
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IO_lc(IO_stringValue(line,chunkPos,i)) == 'dotf') then
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newLoadCase%deformation%myType = 'fdot'
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else if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'f') then
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newLoadCase%deformation%myType = 'f'
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else
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newLoadCase%deformation%myType = 'l'
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endif
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do j = 1, 9
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temp_maskVector(j) = IO_stringValue(line,chunkPos,i+j) /= '*' ! true if not a *
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if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j) ! read value where applicable
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enddo
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newLoadCase%deformation%maskLogical = transpose(reshape(temp_maskVector,[ 3,3])) ! logical mask in 3x3 notation
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newLoadCase%deformation%maskFloat = merge(ones,zeros,newLoadCase%deformation%maskLogical)! float (1.0/0.0) mask in 3x3 notation
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newLoadCase%deformation%values = math_9to33(temp_valueVector) ! values in 3x3 notation
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case('p','stress', 's')
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temp_valueVector = 0.0_pReal
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do j = 1, 9
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temp_maskVector(j) = IO_stringValue(line,chunkPos,i+j) /= '*' ! true if not an asterisk
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if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j) ! read value where applicable
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enddo
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newLoadCase%stress%maskLogical = transpose(reshape(temp_maskVector,[ 3,3]))
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newLoadCase%stress%maskFloat = merge(ones,zeros,newLoadCase%stress%maskLogical)
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newLoadCase%stress%values = math_9to33(temp_valueVector)
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case('t','time','delta') ! increment time
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newLoadCase%time = IO_floatValue(line,chunkPos,i+1)
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case('n','incs','increments') ! number of increments
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newLoadCase%incs = IO_intValue(line,chunkPos,i+1)
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case('logincs','logincrements') ! number of increments (switch to log time scaling)
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newLoadCase%incs = IO_intValue(line,chunkPos,i+1)
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newLoadCase%logscale = 1
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case('freq','frequency','outputfreq') ! frequency of result writings
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newLoadCase%outputfrequency = IO_intValue(line,chunkPos,i+1)
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case('r','restart','restartwrite') ! frequency of writing restart information
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newLoadCase%restartfrequency = IO_intValue(line,chunkPos,i+1)
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case('guessreset','dropguessing')
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newLoadCase%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory
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case('euler') ! rotation of load case given in euler angles
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temp_valueVector = 0.0_pReal
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l = 1 ! assuming values given in degrees
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k = 1 ! assuming keyword indicating degree/radians present
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select case (IO_lc(IO_stringValue(line,chunkPos,i+1)))
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case('deg','degree')
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case('rad','radian') ! don't convert from degree to radian
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l = 0
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case default
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k = 0
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end select
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do j = 1, 3
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temp_valueVector(j) = IO_floatValue(line,chunkPos,i+k+j)
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enddo
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call newLoadCase%rot%fromEulers(temp_valueVector(1:3),degrees=(l==1))
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case('rotation','rot') ! assign values for the rotation matrix
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temp_valueVector = 0.0_pReal
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do j = 1, 9
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temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j)
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enddo
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call newLoadCase%rot%fromMatrix(math_9to33(temp_valueVector))
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end select
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enddo readIn
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newLoadCase%followFormerTrajectory = merge(.true.,.false.,currentLoadCase > 1) ! by default, guess from previous load case
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reportAndCheck: if (worldrank == 0) then
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write (loadcase_string, '(i0)' ) currentLoadCase
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write(6,'(/,1x,a,i0)') 'load case: ', currentLoadCase
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if (.not. newLoadCase%followFormerTrajectory) write(6,'(2x,a)') 'drop guessing along trajectory'
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if (newLoadCase%deformation%myType == 'l') then
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do j = 1, 3
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if (any(newLoadCase%deformation%maskLogical(j,1:3) .eqv. .true.) .and. &
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any(newLoadCase%deformation%maskLogical(j,1:3) .eqv. .false.)) errorID = 832 ! each row should be either fully or not at all defined
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enddo
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write(6,'(2x,a)') 'velocity gradient:'
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else if (newLoadCase%deformation%myType == 'f') then
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write(6,'(2x,a)') 'deformation gradient at end of load case:'
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else
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write(6,'(2x,a)') 'deformation gradient rate:'
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endif
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do i = 1, 3; do j = 1, 3
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if(newLoadCase%deformation%maskLogical(i,j)) then
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write(6,'(2x,f12.7)',advance='no') newLoadCase%deformation%values(i,j)
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else
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write(6,'(2x,12a)',advance='no') ' * '
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endif
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enddo; write(6,'(/)',advance='no')
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enddo
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if (any(newLoadCase%stress%maskLogical .eqv. &
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newLoadCase%deformation%maskLogical)) errorID = 831 ! exclusive or masking only
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if (any(newLoadCase%stress%maskLogical .and. transpose(newLoadCase%stress%maskLogical) &
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.and. (math_I3<1))) errorID = 838 ! no rotation is allowed by stress BC
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write(6,'(2x,a)') 'stress / GPa:'
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do i = 1, 3; do j = 1, 3
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if(newLoadCase%stress%maskLogical(i,j)) then
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write(6,'(2x,f12.7)',advance='no') newLoadCase%stress%values(i,j)*1e-9_pReal
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else
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write(6,'(2x,12a)',advance='no') ' * '
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endif
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enddo; write(6,'(/)',advance='no')
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enddo
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if (any(abs(matmul(newLoadCase%rot%asMatrix(), &
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transpose(newLoadCase%rot%asMatrix()))-math_I3) > &
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reshape(spread(tol_math_check,1,9),[ 3,3]))) errorID = 846 ! given rotation matrix contains strain
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if (any(dNeq(newLoadCase%rot%asMatrix(), math_I3))) &
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write(6,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'rotation of loadframe:',&
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transpose(newLoadCase%rot%asMatrix())
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if (newLoadCase%time < 0.0_pReal) errorID = 834 ! negative time increment
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write(6,'(2x,a,f0.3)') 'time: ', newLoadCase%time
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if (newLoadCase%incs < 1) errorID = 835 ! non-positive incs count
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write(6,'(2x,a,i0)') 'increments: ', newLoadCase%incs
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if (newLoadCase%outputfrequency < 1) errorID = 836 ! non-positive result frequency
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write(6,'(2x,a,i0)') 'output frequency: ', newLoadCase%outputfrequency
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if (newLoadCase%restartfrequency < 1) errorID = 839 ! non-positive restart frequency
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if (newLoadCase%restartfrequency < huge(0)) &
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write(6,'(2x,a,i0)') 'restart frequency: ', newLoadCase%restartfrequency
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if (errorID > 0) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
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endif reportAndCheck
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loadCases = [loadCases,newLoadCase] ! load case is ok, append it
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enddo
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!--------------------------------------------------------------------------------------------------
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! doing initialization depending on active solvers
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call Utilities_init
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do field = 1, nActiveFields
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select case (loadCases(1)%ID(field))
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case(FIELD_MECH_ID)
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call mech_init
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case(FIELD_THERMAL_ID)
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call grid_thermal_spectral_init
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case(FIELD_DAMAGE_ID)
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call grid_damage_spectral_init
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end select
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enddo
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!--------------------------------------------------------------------------------------------------
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! write header of output file
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if (worldrank == 0) then
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writeHeader: if (interface_restartInc < 1) then
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open(newunit=statUnit,file=trim(getSolverJobName())//'.sta',form='FORMATTED',status='REPLACE')
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write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
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if (iand(debug_level(debug_spectral),debug_levelBasic) /= 0) &
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write(6,'(/,a)') ' header of statistics file written out'
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flush(6)
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else writeHeader
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open(newunit=statUnit,file=trim(getSolverJobName())//&
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'.sta',form='FORMATTED', position='APPEND', status='OLD')
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endif writeHeader
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endif
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writeUndeformed: if (interface_restartInc < 1) then
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write(6,'(1/,a)') ' ... writing initial configuration to file ........................'
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call CPFEM_results(0,0.0_pReal)
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endif writeUndeformed
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loadCaseLooping: do currentLoadCase = 1, size(loadCases)
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time0 = time ! load case start time
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guess = loadCases(currentLoadCase)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc
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incLooping: do inc = 1, loadCases(currentLoadCase)%incs
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totalIncsCounter = totalIncsCounter + 1
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!--------------------------------------------------------------------------------------------------
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! forwarding time
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timeIncOld = timeinc ! last timeinc that brought former inc to an end
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if (loadCases(currentLoadCase)%logscale == 0) then ! linear scale
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timeinc = loadCases(currentLoadCase)%time/real(loadCases(currentLoadCase)%incs,pReal)
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else
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if (currentLoadCase == 1) then ! 1st load case of logarithmic scale
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if (inc == 1) then ! 1st inc of 1st load case of logarithmic scale
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timeinc = loadCases(1)%time*(2.0_pReal**real( 1-loadCases(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd
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else ! not-1st inc of 1st load case of logarithmic scale
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timeinc = loadCases(1)%time*(2.0_pReal**real(inc-1-loadCases(1)%incs ,pReal))
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endif
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else ! not-1st load case of logarithmic scale
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timeinc = time0 * &
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( (1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc ,pReal)/&
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real(loadCases(currentLoadCase)%incs ,pReal))&
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-(1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc-1 ,pReal)/&
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real(loadCases(currentLoadCase)%incs ,pReal)))
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endif
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endif
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timeinc = timeinc * real(subStepFactor,pReal)**real(-cutBackLevel,pReal) ! depending on cut back level, decrease time step
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skipping: if (totalIncsCounter <= interface_restartInc) then ! not yet at restart inc?
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time = time + timeinc ! just advance time, skip already performed calculation
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guess = .true. ! QUESTION:why forced guessing instead of inheriting loadcase preference
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else skipping
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stepFraction = 0 ! fraction scaled by stepFactor**cutLevel
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subStepLooping: do while (stepFraction < subStepFactor**cutBackLevel)
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remainingLoadCaseTime = loadCases(currentLoadCase)%time+time0 - time
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time = time + timeinc ! forward target time
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stepFraction = stepFraction + 1 ! count step
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!--------------------------------------------------------------------------------------------------
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! report begin of new step
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write(6,'(/,a)') ' ###########################################################################'
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write(6,'(1x,a,es12.5,6(a,i0))') &
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'Time', time, &
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's: Increment ', inc,'/',loadCases(currentLoadCase)%incs,&
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'-', stepFraction,'/',subStepFactor**cutBackLevel,&
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' of load case ', currentLoadCase,'/',size(loadCases)
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write(incInfo,'(4(a,i0))') &
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'Increment ',totalIncsCounter,'/',sum(loadCases%incs),&
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'-', stepFraction,'/',subStepFactor**cutBackLevel
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flush(6)
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!--------------------------------------------------------------------------------------------------
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! forward fields
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do field = 1, nActiveFields
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select case(loadCases(currentLoadCase)%ID(field))
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case(FIELD_MECH_ID)
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call mech_forward (&
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cutBack,guess,timeinc,timeIncOld,remainingLoadCaseTime, &
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deformation_BC = loadCases(currentLoadCase)%deformation, &
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stress_BC = loadCases(currentLoadCase)%stress, &
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rotation_BC = loadCases(currentLoadCase)%rot)
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|
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case(FIELD_THERMAL_ID); call grid_thermal_spectral_forward(cutBack)
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case(FIELD_DAMAGE_ID); call grid_damage_spectral_forward(cutBack)
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end select
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enddo
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if(.not. cutBack) call CPFEM_forward
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|
|
|
!--------------------------------------------------------------------------------------------------
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! solve fields
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stagIter = 0
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stagIterate = .true.
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|
do while (stagIterate)
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|
do field = 1, nActiveFields
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|
select case(loadCases(currentLoadCase)%ID(field))
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|
case(FIELD_MECH_ID)
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solres(field) = mech_solution (&
|
|
incInfo,timeinc,timeIncOld, &
|
|
stress_BC = loadCases(currentLoadCase)%stress, &
|
|
rotation_BC = loadCases(currentLoadCase)%rot)
|
|
|
|
case(FIELD_THERMAL_ID)
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solres(field) = grid_thermal_spectral_solution(timeinc,timeIncOld)
|
|
|
|
case(FIELD_DAMAGE_ID)
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|
solres(field) = grid_damage_spectral_solution(timeinc,timeIncOld)
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|
|
|
end select
|
|
|
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if (.not. solres(field)%converged) exit ! no solution found
|
|
|
|
enddo
|
|
stagIter = stagIter + 1
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|
stagIterate = stagIter < stagItMax &
|
|
.and. all(solres(:)%converged) &
|
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.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
|
|
write(6,'(/,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
|
|
write(6,'(/,a,i0,a)') ' increment ', totalIncsCounter, ' converged'
|
|
else
|
|
write(6,'(/,a,i0,a)') ' 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 CPFEM_results(totalIncsCounter,time)
|
|
endif
|
|
if (mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0) then
|
|
call mech_restartWrite
|
|
call CPFEM_restartWrite
|
|
endif
|
|
endif skipping
|
|
|
|
enddo incLooping
|
|
|
|
enddo loadCaseLooping
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! report summary of whole calculation
|
|
write(6,'(/,a)') ' ###########################################################################'
|
|
if (worldrank == 0) close(statUnit)
|
|
|
|
call quit(0) ! no complains ;)
|
|
|
|
end program DAMASK_spectral
|