intermediate, not working state of new solver structure
This commit is contained in:
Martin Diehl
parent
9887f42383
commit
bd9e81fbec
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@ -34,37 +34,113 @@
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!
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! MPI fuer Eisenforschung, Duesseldorf
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#include "spectral_quit.f90"
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program DAMASK_spectral
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program DAMASK_spectralDriver
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
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use DAMASK_interface, only: &
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DAMASK_interface_init, &
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loadCaseFile, &
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geometryFile, &
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getSolverWorkingDirectoryName, &
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getSolverJobName, &
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appendToOutFile
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use prec, only: &
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pInt, &
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pReal
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pReal, &
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DAMASK_NaN
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use IO, only: &
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IO_error,&
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IO_isBlank, &
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IO_open_file, &
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IO_stringPos, &
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IO_stringValue, &
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IO_floatValue, &
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IO_intValue, &
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IO_error, &
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IO_lc, &
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IO_read_jobBinaryFile, &
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IO_write_jobBinaryFile
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use math
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use mesh, only : &
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mesh_spectral_getResolution, &
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mesh_spectral_getDimension, &
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mesh_spectral_getHomogenization
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use CPFEM, only: &
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CPFEM_initAll
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use FEsolving, only: &
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restartWrite, &
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restartInc
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use numerics, only: &
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rotation_tol
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use homogenization, only: &
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materialpoint_sizeResults, &
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materialpoint_results
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use DAMASK_spectralSovler
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use DAMASK_spectralSolver !, only: &
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!solution, &
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!solution_t
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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) :: &
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temp_valueVector !> temporarily from loadcase file when reading in tensors
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logical, dimension(9) :: &
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temp_maskVector !> temporarily from loadcase file when reading in tensors
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integer(pInt), parameter :: maxNchunksLoadcase = (1_pInt + 9_pInt)*3_pInt +& ! deformation, rotation, and stress
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(1_pInt + 1_pInt)*5_pInt +& ! time, (log)incs, temp, restartfrequency, and outputfrequency
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1_pInt, & ! dropguessing
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maxNchunksGeom = 7_pInt, & ! 4 identifiers, 3 values
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myUnit = 234_pInt
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integer(pInt), dimension(1_pInt + maxNchunksLoadcase*2_pInt) :: positions ! this is longer than needed for geometry parsing
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integer(pInt) :: &
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N_l = 0_pInt, &
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N_t = 0_pInt, &
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N_n = 0_pInt, &
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N_Fdot = 0_pInt, &
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Npoints ! number of Fourier points
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character(len=1024) :: &
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line
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type(bc_type), allocatable, dimension(:) :: bc
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type(solution_t) solres
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type(init) initres
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!--------------------------------------------------------------------------------------------------
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! BC related information
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real(pReal), dimension(3,3) :: &
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F_aim = math_I3, &
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F_aim_lastInc = math_I3, &
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mask_stress, &
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mask_defgrad, &
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deltaF_aim
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!--------------------------------------------------------------------------------------------------
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! loop variables, convergence etc.
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integer(pInt) :: i, j, k, l, m, n, p, errorID
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real(pReal) :: time = 0.0_pReal, time0 = 0.0_pReal, timeinc = 1.0_pReal, timeinc_old = 0.0_pReal ! elapsed time, begin of interval, time interval
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real(pReal) :: guessmode
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real(pReal), dimension(3,3), parameter :: ones = 1.0_pReal, zeroes = 0.0_pReal
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real(pReal), dimension(3,3) :: temp33_Real
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integer(pInt) :: i, j, k, p, errorID
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integer(pInt) :: N_Loadcases, loadcase = 0_pInt, inc, &
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totalIncsCounter = 0_pInt,&
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notConvergedCounter = 0_pInt, convergedCounter = 0_pInt
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character(len=6) :: loadcase_string
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call DAMASK_interface_init
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call DAMASK_interface_init
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write(6,'(a)') ''
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write(6,'(a)') ' <<<+- DAMASK_spectral init -+>>>'
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write(6,'(a)') ' $Id$'
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@ -72,6 +148,7 @@ program DAMASK_spectral
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write(6,'(a)') ' Working Directory: ',trim(getSolverWorkingDirectoryName())
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write(6,'(a)') ' Solver Job Name: ',trim(getSolverJobName())
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write(6,'(a)') ''
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!--------------------------------------------------------------------------------------------------
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! reading the load case file and allocate data structure containing load cases
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call IO_open_file(myUnit,trim(loadCaseFile))
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@ -108,63 +185,63 @@ program DAMASK_spectral
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if (IO_isBlank(line)) cycle ! skip empty lines
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loadcase = loadcase + 1_pInt
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positions = IO_stringPos(line,maxNchunksLoadcase)
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do j = 1_pInt,maxNchunksLoadcase
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select case (IO_lc(IO_stringValue(line,positions,j)))
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do i = 1_pInt,maxNchunksLoadcase
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select case (IO_lc(IO_stringValue(line,positions,i)))
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case('fdot','dotf','l','velocitygrad','velgrad','velocitygradient') ! assign values for the deformation BC matrix
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bc(loadcase)%velGradApplied = &
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(IO_lc(IO_stringValue(line,positions,j)) == 'l'.or. & ! in case of given L, set flag to true
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IO_lc(IO_stringValue(line,positions,j)) == 'velocitygrad'.or.&
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IO_lc(IO_stringValue(line,positions,j)) == 'velgrad'.or.&
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IO_lc(IO_stringValue(line,positions,j)) == 'velocitygradient')
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(IO_lc(IO_stringValue(line,positions,i)) == 'l'.or. & ! in case of given L, set flag to true
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IO_lc(IO_stringValue(line,positions,i)) == 'velocitygrad'.or.&
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IO_lc(IO_stringValue(line,positions,i)) == 'velgrad'.or.&
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IO_lc(IO_stringValue(line,positions,i)) == 'velocitygradient')
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temp_valueVector = 0.0_pReal
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temp_maskVector = .false.
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forall (k = 1_pInt:9_pInt) temp_maskVector(k) = IO_stringValue(line,positions,j+k) /= '*'
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do k = 1_pInt,9_pInt
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if (temp_maskVector(k)) temp_valueVector(k) = IO_floatValue(line,positions,j+k)
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forall (j = 1_pInt:9_pInt) temp_maskVector(j) = IO_stringValue(line,positions,i+j) /= '*'
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do j = 1_pInt,9_pInt
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if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,positions,i+j)
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enddo
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bc(loadcase)%maskDeformation = transpose(reshape(temp_maskVector,[ 3,3]))
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bc(loadcase)%deformation = math_plain9to33(temp_valueVector)
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case('p','pk1','piolakirchhoff','stress')
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temp_valueVector = 0.0_pReal
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forall (k = 1_pInt:9_pInt) bc(loadcase)%maskStressVector(k) =&
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IO_stringValue(line,positions,j+k) /= '*'
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do k = 1_pInt,9_pInt
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if (bc(loadcase)%maskStressVector(k)) temp_valueVector(k) =&
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IO_floatValue(line,positions,j+k) ! assign values for the bc(loadcase)%stress matrix
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forall (j = 1_pInt:9_pInt) bc(loadcase)%maskStressVector(j) =&
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IO_stringValue(line,positions,i+j) /= '*'
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do j = 1_pInt,9_pInt
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if (bc(loadcase)%maskStressVector(j)) temp_valueVector(j) =&
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IO_floatValue(line,positions,i+j) ! assign values for the bc(loadcase)%stress matrix
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enddo
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bc(loadcase)%maskStress = transpose(reshape(bc(loadcase)%maskStressVector,[ 3,3]))
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bc(loadcase)%stress = math_plain9to33(temp_valueVector)
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case('t','time','delta') ! increment time
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bc(loadcase)%time = IO_floatValue(line,positions,j+1_pInt)
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bc(loadcase)%time = IO_floatValue(line,positions,i+1_pInt)
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case('temp','temperature') ! starting temperature
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bc(loadcase)%temperature = IO_floatValue(line,positions,j+1_pInt)
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bc(loadcase)%temperature = IO_floatValue(line,positions,i+1_pInt)
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case('n','incs','increments','steps') ! number of increments
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bc(loadcase)%incs = IO_intValue(line,positions,j+1_pInt)
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bc(loadcase)%incs = IO_intValue(line,positions,i+1_pInt)
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case('logincs','logincrements','logsteps') ! number of increments (switch to log time scaling)
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bc(loadcase)%incs = IO_intValue(line,positions,j+1_pInt)
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bc(loadcase)%incs = IO_intValue(line,positions,i+1_pInt)
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bc(loadcase)%logscale = 1_pInt
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case('f','freq','frequency','outputfreq') ! frequency of result writings
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bc(loadcase)%outputfrequency = IO_intValue(line,positions,j+1_pInt)
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bc(loadcase)%outputfrequency = IO_intValue(line,positions,i+1_pInt)
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case('r','restart','restartwrite') ! frequency of writing restart information
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bc(loadcase)%restartfrequency = max(0_pInt,IO_intValue(line,positions,j+1_pInt))
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bc(loadcase)%restartfrequency = max(0_pInt,IO_intValue(line,positions,i+1_pInt))
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case('guessreset','dropguessing')
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bc(loadcase)%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory
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case('euler') ! rotation of loadcase given in euler angles
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p = 0_pInt ! assuming values given in radians
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l = 1_pInt ! assuming keyword indicating degree/radians
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select case (IO_lc(IO_stringValue(line,positions,j+1_pInt)))
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k = 1_pInt ! assuming keyword indicating degree/radians
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select case (IO_lc(IO_stringValue(line,positions,i+1_pInt)))
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case('deg','degree')
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p = 1_pInt ! for conversion from degree to radian
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case('rad','radian')
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case default
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l = 0_pInt ! immediately reading in angles, assuming radians
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k = 0_pInt ! immediately reading in angles, assuming radians
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end select
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forall(k = 1_pInt:3_pInt) temp33_Real(k,1) = &
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IO_floatValue(line,positions,j+l+k) * real(p,pReal) * inRad
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forall(j = 1_pInt:3_pInt) temp33_Real(j,1) = &
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IO_floatValue(line,positions,i+k+j) * real(p,pReal) * inRad
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bc(loadcase)%rotation = math_EulerToR(temp33_Real(:,1))
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case('rotation','rot') ! assign values for the rotation of loadcase matrix
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temp_valueVector = 0.0_pReal
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forall (k = 1_pInt:9_pInt) temp_valueVector(k) = IO_floatValue(line,positions,j+k)
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forall (j = 1_pInt:9_pInt) temp_valueVector(j) = IO_floatValue(line,positions,i+j)
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bc(loadcase)%rotation = math_plain9to33(temp_valueVector)
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end select
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enddo; enddo
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@ -175,16 +252,7 @@ program DAMASK_spectral
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call CPFEM_initAll(bc(1)%temperature,1_pInt,1_pInt)
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!--------------------------------------------------------------------------------------------------
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! get resolution, dimension, homogenization and variables derived from resolution
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res = mesh_spectral_getResolution()
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geomdim = mesh_spectral_getDimension()
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homog = mesh_spectral_getHomogenization()
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res1_red = res(1)/2_pInt + 1_pInt ! size of complex array in first dimension (c2r, r2c)
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Npoints = res(1)*res(2)*res(3)
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wgt = 1.0_pReal/real(Npoints, pReal)
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!--------------------------------------------------------------------------------------------------
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! output of geometry
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! output of geometry information
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write(6,'(a)') ''
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write(6,'(a)') '#############################################################'
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write(6,'(a)') 'DAMASK spectral:'
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@ -193,9 +261,9 @@ program DAMASK_spectral
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write(6,'(a)') '#############################################################'
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write(6,'(a)') 'geometry file: ',trim(geometryFile)
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write(6,'(a)') '============================================================='
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write(6,'(a,3(i12 ))') 'resolution a b c:', res
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write(6,'(a,3(f12.5))') 'dimension x y z:', geomdim
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write(6,'(a,i5)') 'homogenization: ',homog
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write(6,'(a,3(i12 ))') 'resolution a b c:', mesh_spectral_getResolution()
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write(6,'(a,3(f12.5))') 'dimension x y z:', mesh_spectral_getDimension()
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write(6,'(a,i5)') 'homogenization: ', mesh_spectral_getHomogenization()
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write(6,'(a)') '#############################################################'
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write(6,'(a)') 'loadcase file: ',trim(loadCaseFile)
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@ -246,27 +314,50 @@ program DAMASK_spectral
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if (bc(loadcase)%outputfrequency < 1_pInt) errorID = 836_pInt ! non-positive result frequency
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if (errorID > 0_pInt) call IO_error(error_ID = errorID, ext_msg = loadcase_string)
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enddo
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!!!!!!!!!!!!!!!
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!!!!!!!!!!!!!!!
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!!!!!!!!!!!!!!!
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initres = solverInit('AL')
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F_aim = initres%F_init
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!!!!!!!!!!!!!!
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!!!!!!!!!!!!!!
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!--------------------------------------------------------------------------------------------------
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! write header of output file
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if (appendToOutFile) then
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open(538,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'.spectralOut',&
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form='UNFORMATTED', position='APPEND', status='OLD')
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else
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open(538,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'.spectralOut',&
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form='UNFORMATTED',status='REPLACE')
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write(538) 'load', trim(loadCaseFile)
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write(538) 'workingdir', trim(getSolverWorkingDirectoryName())
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write(538) 'geometry', trim(geometryFile)
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write(538) 'resolution', mesh_spectral_getResolution()
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write(538) 'dimension', mesh_spectral_getDimension()
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write(538) 'materialpoint_sizeResults', materialpoint_sizeResults
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write(538) 'loadcases', N_Loadcases
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write(538) 'frequencies', bc(1:N_Loadcases)%outputfrequency ! one entry per loadcase
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write(538) 'times', bc(1:N_Loadcases)%time ! one entry per loadcase
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write(538) 'logscales', bc(1:N_Loadcases)%logscale
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write(538) 'increments', bc(1:N_Loadcases)%incs ! one entry per loadcase
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write(538) 'startingIncrement', restartInc - 1_pInt ! start with writing out the previous inc
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write(538) 'eoh' ! end of header
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write(538) materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:Npoints) ! initial (non-deformed or read-in) results
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if (debugGeneral) write(6,'(a)') 'Header of result file written out'
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endif
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!##################################################################################################
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! Loop over loadcases defined in the loadcase file
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!##################################################################################################
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do loadcase = 1_pInt, N_Loadcases
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time0 = time ! loadcase start time
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if (bc(loadcase)%followFormerTrajectory .and. &
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(restartInc < totalIncsCounter .or. &
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restartInc > totalIncsCounter+bc(loadcase)%incs) ) then ! continue to guess along former trajectory where applicable
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if (bc(loadcase)%followFormerTrajectory) then
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guessmode = 1.0_pReal
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else
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guessmode = 0.0_pReal ! change of load case, homogeneous guess for the first inc
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endif
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!--------------------------------------------------------------------------------------------------
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! arrays for mixed boundary conditions
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mask_defgrad = merge(ones,zeroes,bc(loadcase)%maskDeformation)
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mask_stress = merge(ones,zeroes,bc(loadcase)%maskStress)
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size_reduced = int(count(bc(loadcase)%maskStressVector), pInt)
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allocate (c_reduced(size_reduced,size_reduced), source =0.0_pReal)
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allocate (s_reduced(size_reduced,size_reduced), source =0.0_pReal)
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!##################################################################################################
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! loop oper incs defined in input file for current loadcase
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!##################################################################################################
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@ -309,101 +400,70 @@ program DAMASK_spectral
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+ deltaF_aim
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F_aim_lastInc = temp33_Real
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!--------------------------------------------------------------------------------------------------
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! update local deformation gradient and coordinates
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deltaF_aim = math_rotate_backward33(deltaF_aim,bc(loadcase)%rotation)
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call
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call deformed_fft(res,geomdim,math_rotate_backward33(F_aim,bc(loadcase)%rotation),& ! calculate current coordinates
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1.0_pReal,F_lastInc,coordinates)
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!--------------------------------------------------------------------------------------------------
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! calculate reduced compliance
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if(size_reduced > 0_pInt) then ! calculate compliance in case stress BC is applied
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C_lastInc = math_rotate_forward3333(C,bc(loadcase)%rotation) ! calculate stiffness from former inc
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temp99_Real = math_Plain3333to99(C_lastInc)
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k = 0_pInt ! build reduced stiffness
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do n = 1_pInt,9_pInt
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if(bc(loadcase)%maskStressVector(n)) then
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k = k + 1_pInt
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j = 0_pInt
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do m = 1_pInt,9_pInt
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if(bc(loadcase)%maskStressVector(m)) then
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j = j + 1_pInt
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c_reduced(k,j) = temp99_Real(n,m)
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endif; enddo; endif; enddo
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call math_invert(size_reduced, c_reduced, s_reduced, i, errmatinv) ! invert reduced stiffness
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if(errmatinv) call IO_error(error_ID=400_pInt)
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temp99_Real = 0.0_pReal ! build full compliance
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k = 0_pInt
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do n = 1_pInt,9_pInt
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if(bc(loadcase)%maskStressVector(n)) then
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k = k + 1_pInt
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j = 0_pInt
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do m = 1_pInt,9_pInt
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if(bc(loadcase)%maskStressVector(m)) then
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j = j + 1_pInt
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temp99_Real(n,m) = s_reduced(k,j)
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endif; enddo; endif; enddo
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S_lastInc = (math_Plain99to3333(temp99_Real))
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endif
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!--------------------------------------------------------------------------------------------------
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! report begin of new increment
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write(6,'(a)') '##################################################################'
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write(6,'(A,I5.5,A,es12.5)') 'Increment ', totalIncsCounter, ' Time ',time
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guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase
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iter = 0_pInt
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err_div = huge(err_div_tol) ! go into loop
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solres = solution('AL')
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!converged = solution(mySolver,ForwardFields(solver,deltaF_aim,timeinc/timeinc_old,guessmode, restartWrite))
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converged = solution(mySolver,ForwardFields(solver,deltaF_aim,timeinc/timeinc_old,guessmode))
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CPFEM_mode = 1_pInt ! winding forward
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C = C * wgt
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write(6,'(a)') ''
|
||||
write(6,'(a)') '=================================================================='
|
||||
if(err_div > err_div_tol .or. err_stress > err_stress_tol) then
|
||||
write(6,'(A,I5.5,A)') 'increment ', totalIncsCounter, ' NOT converged'
|
||||
notConvergedCounter = notConvergedCounter + 1_pInt
|
||||
else
|
||||
if(solres%converged) then
|
||||
convergedCounter = convergedCounter + 1_pInt
|
||||
write(6,'(A,I5.5,A)') 'increment ', totalIncsCounter, ' converged'
|
||||
else
|
||||
write(6,'(A,I5.5,A)') 'increment ', totalIncsCounter, ' NOT converged'
|
||||
notConvergedCounter = notConvergedCounter + 1_pInt
|
||||
endif
|
||||
|
||||
if (mod(inc,bc(loadcase)%outputFrequency) == 0_pInt) then ! at output frequency
|
||||
write(6,'(a)') ''
|
||||
write(6,'(a)') '... writing results to file ......................................'
|
||||
write(538) materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:Npoints) ! write result to file
|
||||
flush(538)
|
||||
endif
|
||||
|
||||
if( bc(loadcase)%restartFrequency > 0_pInt .and. &
|
||||
mod(inc,bc(loadcase)%restartFrequency) == 0_pInt) then ! at frequency of writing restart information set restart parameter for FEsolving (first call to CPFEM_general will write ToDo: true?)
|
||||
restartInc=totalIncsCounter
|
||||
restartWrite = .true.
|
||||
write(6,'(a)') 'writing converged results for restart'
|
||||
call IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(F)) ! writing deformation gradient field to file
|
||||
write (777,rec=1) F
|
||||
close (777)
|
||||
call IO_write_jobBinaryFile(777,'C',size(C))
|
||||
write (777,rec=1) C
|
||||
close(777)
|
||||
endif
|
||||
|
||||
endif ! end calculation/forwarding
|
||||
enddo ! end looping over incs in current loadcase
|
||||
deallocate(c_reduced)
|
||||
deallocate(s_reduced)
|
||||
enddo ! end looping over loadcases
|
||||
write(6,'(a)') ''
|
||||
write(6,'(a)') '##################################################################'
|
||||
write(6,'(i6.6,a,i6.6,a,f5.1,a)') convergedCounter, ' out of ', &
|
||||
notConvergedCounter + convergedCounter, ' (', &
|
||||
real(convergedCounter, pReal)/&
|
||||
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, &
|
||||
' %) increments converged!'
|
||||
guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase
|
||||
|
||||
enddo ! end looping over incs in current loadcase
|
||||
enddo ! end looping over loadcases
|
||||
write(6,'(a)') ''
|
||||
write(6,'(a)') '##################################################################'
|
||||
write(6,'(i6.6,a,i6.6,a,f5.1,a)') convergedCounter, ' out of ', &
|
||||
notConvergedCounter + convergedCounter, ' (', &
|
||||
real(convergedCounter, pReal)/&
|
||||
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, &
|
||||
' %) increments converged!'
|
||||
close(538)
|
||||
if (notConvergedCounter > 0_pInt) call quit(3_pInt)
|
||||
call quit(0_pInt)
|
||||
end program DAMASK_spectral
|
||||
|
||||
end program DAMASK_spectralDriver
|
||||
|
||||
subroutine quit(stop_id)
|
||||
use prec, only: &
|
||||
pInt
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: stop_id
|
||||
integer, dimension(8) :: dateAndTime ! type default integer
|
||||
|
||||
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) stop 0 ! normal termination
|
||||
if (stop_id < 0_pInt) then ! trigger regridding
|
||||
write(0,'(a,i6)') 'restart at ', stop_id*(-1_pInt)
|
||||
stop 2
|
||||
endif
|
||||
if (stop_id == 3_pInt) stop 3 ! not all steps converged
|
||||
stop 1 ! error (message from IO_error)
|
||||
end subroutine
|
||||
|
|
@ -34,113 +34,36 @@
|
|||
!
|
||||
! MPI fuer Eisenforschung, Duesseldorf
|
||||
|
||||
#include "spectral_quit.f90"
|
||||
|
||||
program DAMASK_spectral
|
||||
module DAMASK_spectralSolver
|
||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
|
||||
|
||||
use DAMASK_interface, only: &
|
||||
use prec, only: pReal, pInt
|
||||
use math
|
||||
use DAMASK_interface, only: &
|
||||
DAMASK_interface_init, &
|
||||
loadCaseFile, &
|
||||
geometryFile, &
|
||||
getSolverWorkingDirectoryName, &
|
||||
getSolverJobName, &
|
||||
appendToOutFile
|
||||
|
||||
use prec, only: &
|
||||
pInt, &
|
||||
pReal, &
|
||||
DAMASK_NaN
|
||||
|
||||
use IO, only: &
|
||||
IO_isBlank, &
|
||||
IO_open_file, &
|
||||
IO_stringPos, &
|
||||
IO_stringValue, &
|
||||
IO_floatValue, &
|
||||
IO_intValue, &
|
||||
IO_error, &
|
||||
IO_lc, &
|
||||
IO_read_jobBinaryFile, &
|
||||
IO_write_jobBinaryFile
|
||||
|
||||
use debug, only: &
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_spectral, &
|
||||
debug_levelBasic, &
|
||||
debug_spectralDivergence, &
|
||||
debug_spectralRestart, &
|
||||
debug_spectralFFTW, &
|
||||
debug_reset, &
|
||||
debug_info
|
||||
|
||||
use math
|
||||
|
||||
use mesh, only : &
|
||||
mesh_spectral_getResolution, &
|
||||
mesh_spectral_getDimension, &
|
||||
mesh_spectral_getHomogenization
|
||||
|
||||
use CPFEM, only: &
|
||||
CPFEM_general, &
|
||||
CPFEM_initAll
|
||||
|
||||
use FEsolving, only: &
|
||||
restartWrite, &
|
||||
restartInc
|
||||
|
||||
use numerics, only: &
|
||||
err_div_tol, &
|
||||
err_stress_tolrel, &
|
||||
err_stress_tolabs, &
|
||||
rotation_tol, &
|
||||
itmax,&
|
||||
itmin, &
|
||||
memory_efficient, &
|
||||
divergence_correction, &
|
||||
DAMASK_NumThreadsInt, &
|
||||
fftw_planner_flag, &
|
||||
fftw_timelimit
|
||||
|
||||
use homogenization, only: &
|
||||
materialpoint_sizeResults, &
|
||||
materialpoint_results
|
||||
|
||||
debug_spectralFFTW
|
||||
use IO
|
||||
|
||||
implicit none
|
||||
|
||||
#ifdef PETSC
|
||||
#include <finclude/petscsys.h>
|
||||
#include <finclude/petscvec.h>
|
||||
#include <finclude/petscsnes.h>
|
||||
#include <finclude/petscvec.h90>
|
||||
#include <finclude/petscsnes.h90>
|
||||
#endif
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! variables related to information from load case and geom file
|
||||
real(pReal), dimension(9) :: &
|
||||
temp_valueVector !> temporarily from loadcase file when reading in tensors
|
||||
logical, dimension(9) :: &
|
||||
temp_maskVector !> temporarily from loadcase file when reading in tensors
|
||||
integer(pInt), parameter :: maxNchunksLoadcase = (1_pInt + 9_pInt)*3_pInt +& ! deformation, rotation, and stress
|
||||
(1_pInt + 1_pInt)*5_pInt +& ! time, (log)incs, temp, restartfrequency, and outputfrequency
|
||||
1_pInt, & ! dropguessing
|
||||
maxNchunksGeom = 7_pInt, & ! 4 identifiers, 3 values
|
||||
myUnit = 234_pInt
|
||||
integer(pInt), dimension(1_pInt + maxNchunksLoadcase*2_pInt) :: positions ! this is longer than needed for geometry parsing
|
||||
type solution_t ! mask of stress boundary conditions
|
||||
logical :: converged = .false.
|
||||
logical :: regrid = .false.
|
||||
end type solution_t
|
||||
|
||||
integer(pInt) :: &
|
||||
N_l = 0_pInt, &
|
||||
N_t = 0_pInt, &
|
||||
N_n = 0_pInt, &
|
||||
N_Fdot = 0_pInt, &
|
||||
Npoints,& ! number of Fourier points
|
||||
homog, & ! homogenization scheme used
|
||||
res1_red ! to store res(1)/2 +1
|
||||
type init
|
||||
real(pReal), dimension(3,3) :: F_init
|
||||
end type init
|
||||
|
||||
character(len=1024) :: &
|
||||
line
|
||||
|
||||
type bc_type
|
||||
type bc_type
|
||||
real(pReal), dimension (3,3) :: deformation = 0.0_pReal, & ! applied velocity gradient or time derivative of deformation gradient
|
||||
stress = 0.0_pReal, & ! stress BC (if applicable)
|
||||
rotation = math_I3 ! rotation of BC (if applicable)
|
||||
|
|
@ -156,15 +79,74 @@ program DAMASK_spectral
|
|||
maskStress = .false. ! mask of stress boundary conditions
|
||||
logical, dimension(9) :: maskStressVector = .false. ! linear mask of boundary conditions
|
||||
end type
|
||||
real(pReal), dimension(:,:,:,:,:), allocatable :: F, F_lastInc
|
||||
real(pReal), dimension(:,:,:,:), allocatable :: coordinates
|
||||
real(pReal), dimension(:,:,:), allocatable :: temperature
|
||||
|
||||
type(bc_type), allocatable, dimension(:) :: bc
|
||||
real(pReal), dimension(:,:,:,:,:), pointer :: P_real, deltaF_real ! field in real space (pointer)
|
||||
|
||||
complex(pReal), dimension(:,:,:,:,:), pointer :: P_fourier,deltaF_fourier ! field in fourier space (pointer)
|
||||
|
||||
complex(pReal), dimension(:,:,:), pointer :: scalarField_real
|
||||
complex(pReal), dimension(:,:,:), pointer :: scalarField_fourier
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! variables for additional output of divergence calculations
|
||||
type(C_PTR) :: divergence, plan_divergence, plan_correction
|
||||
real(pReal), dimension(:,:,:,:), pointer :: divergence_real
|
||||
complex(pReal), dimension(:,:,:,:), pointer :: divergence_fourier
|
||||
real(pReal), dimension(:,:,:,:), allocatable :: divergence_post
|
||||
contains
|
||||
|
||||
type(init) function solverInit(solver,restartInc,loadcase)
|
||||
|
||||
real(pReal) :: wgt
|
||||
real(pReal), dimension(3) :: geomdim = 0.0_pReal, virt_dim = 0.0_pReal ! physical dimension of volume element per direction
|
||||
integer(pInt), dimension(3) :: res = 1_pInt ! resolution (number of Fourier points) in each direction
|
||||
use mesh, only : &
|
||||
mesh_spectral_getResolution, &
|
||||
mesh_spectral_getDimension
|
||||
|
||||
use CPFEM, only: &
|
||||
CPFEM_general
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
use numerics, only: &
|
||||
memory_efficient, &
|
||||
divergence_correction, &
|
||||
DAMASK_NumThreadsInt, &
|
||||
fftw_planner_flag, &
|
||||
fftw_timelimit
|
||||
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_spectral, &
|
||||
debug_levelBasic, &
|
||||
debug_spectralDivergence, &
|
||||
debug_spectralRestart, &
|
||||
debug_spectralFFTW, &
|
||||
debug_reset, &
|
||||
debug_info
|
||||
|
||||
implicit none
|
||||
|
||||
real(pReal) :: restartInc
|
||||
character(len=*) :: solver
|
||||
|
||||
integer(pInt) :: &
|
||||
Npoints,& ! number of Fourier points
|
||||
homog, & ! homogenization scheme used
|
||||
res1_red
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! loop variables, convergence etc.
|
||||
|
||||
real(pReal), dimension(3,3), parameter :: ones = 1.0_pReal, zeroes = 0.0_pReal
|
||||
complex(pReal), dimension(3) :: temp3_Complex
|
||||
complex(pReal), dimension(3,3) :: temp33_Complex
|
||||
real(pReal), dimension(3,3) :: temp33_Real
|
||||
integer(pInt) :: i, j, k, l, m, n, p, errorID
|
||||
integer(pInt) :: inc, iter, ielem, CPFEM_mode=1_pInt, &
|
||||
ierr
|
||||
logical :: errmatinv
|
||||
real(pReal) :: defgradDet
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! stress, stiffness and compliance average etc.
|
||||
real(pReal), dimension(3,3) :: &
|
||||
P_av, &
|
||||
|
|
@ -176,71 +158,46 @@ program DAMASK_spectral
|
|||
F_aim_lab, &
|
||||
F_aim_lab_lastIter, &
|
||||
P_av_lab
|
||||
|
||||
real(pReal), dimension(3,3,3,3) :: &
|
||||
dPdF, &
|
||||
C_ref = 0.0_pReal, &
|
||||
C = 0.0_pReal, &
|
||||
S_lastInc, &
|
||||
C_lastInc ! stiffness and compliance
|
||||
|
||||
real(pReal), dimension(6) :: sigma ! cauchy stress
|
||||
real(pReal), dimension(6,6) :: dsde
|
||||
real(pReal), dimension(9,9) :: temp99_Real ! compliance and stiffness in matrix notation
|
||||
real(pReal), dimension(:,:), allocatable :: s_reduced, c_reduced ! reduced compliance and stiffness (only for stress BC)
|
||||
integer(pInt) :: size_reduced = 0_pInt ! number of stress BCs
|
||||
|
||||
C_lastInc
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! pointwise data
|
||||
type(C_PTR) :: tensorField ! field in real an fourier space
|
||||
real(pReal), dimension(:,:,:,:,:), pointer :: P_real, deltaF_real ! field in real space (pointer)
|
||||
|
||||
complex(pReal), dimension(:,:,:,:,:), pointer :: P_fourier,deltaF_fourier ! field in fourier space (pointer)
|
||||
|
||||
real(pReal), dimension(:,:,:,:,:), allocatable :: F, F_lastInc
|
||||
real(pReal), dimension(:,:,:,:), allocatable :: coordinates
|
||||
real(pReal), dimension(:,:,:), allocatable :: temperature
|
||||
type(bc_type) :: loadcase ! field in real an fourier space
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! variables storing information for spectral method and FFTW
|
||||
type(C_PTR) :: plan_stress, plan_correction ! plans for fftw
|
||||
type(C_PTR) :: plan_stress, plan_backward ! plans for fftw
|
||||
real(pReal), dimension(3,3) :: xiDyad ! product of wave vectors
|
||||
real(pReal), dimension(:,:,:,:,:,:,:), allocatable :: gamma_hat ! gamma operator (field) for spectral method
|
||||
real(pReal), dimension(:,:,:,:), allocatable :: xi ! wave vector field for divergence and for gamma operator
|
||||
integer(pInt), dimension(3) :: k_s
|
||||
|
||||
|
||||
real(pReal), dimension(6) :: sigma ! cauchy stress
|
||||
real(pReal), dimension(6,6) :: dsde
|
||||
|
||||
real(pReal) :: wgt
|
||||
real(pReal), dimension(3) :: geomdim = 0.0_pReal, virt_dim = 0.0_pReal ! physical dimension of volume element per direction
|
||||
integer(pInt), dimension(3) :: res = 1_pInt
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! loop variables, convergence etc.
|
||||
real(pReal) :: time = 0.0_pReal, time0 = 0.0_pReal, timeinc = 1.0_pReal, timeinc_old = 0.0_pReal ! elapsed time, begin of interval, time interval
|
||||
real(pReal) :: guessmode, err_div, err_stress, err_stress_tol
|
||||
real(pReal), dimension(3,3), parameter :: ones = 1.0_pReal, zeroes = 0.0_pReal
|
||||
complex(pReal), dimension(3) :: temp3_Complex
|
||||
complex(pReal), dimension(3,3) :: temp33_Complex
|
||||
real(pReal), dimension(3,3) :: temp33_Real
|
||||
integer(pInt) :: i, j, k, l, m, n, p, errorID
|
||||
integer(pInt) :: N_Loadcases, loadcase = 0_pInt, inc, iter, ielem, CPFEM_mode=1_pInt, &
|
||||
ierr, totalIncsCounter = 0_pInt,&
|
||||
notConvergedCounter = 0_pInt, convergedCounter = 0_pInt
|
||||
logical :: errmatinv
|
||||
real(pReal) :: defgradDet
|
||||
character(len=6) :: loadcase_string
|
||||
! pointwise data ! field in real an fourier space
|
||||
real(pReal), dimension(:,:,:,:,:), pointer :: P_real, deltaF_real ! field in real space (pointer)
|
||||
|
||||
complex(pReal), dimension(:,:,:,:,:), pointer :: P_fourier,deltaF_fourier ! field in fourier space (pointer)
|
||||
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!variables controlling debugging
|
||||
logical :: debugGeneral, debugDivergence, debugRestart, debugFFTW
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!variables for additional output due to general debugging
|
||||
real(pReal) :: defgradDetMax, defgradDetMin, maxCorrectionSym, maxCorrectionSkew
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! variables for additional output of divergence calculations
|
||||
type(C_PTR) :: divergence, plan_divergence
|
||||
real(pReal), dimension(:,:,:,:), pointer :: divergence_real
|
||||
complex(pReal), dimension(:,:,:,:), pointer :: divergence_fourier
|
||||
real(pReal), dimension(:,:,:,:), allocatable :: divergence_post
|
||||
real(pReal) :: pstress_av_L2, err_div_RMS, err_real_div_RMS, err_post_div_RMS,&
|
||||
err_div_max, err_real_div_max
|
||||
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! variables for debugging fft using a scalar field
|
||||
|
|
@ -250,16 +207,10 @@ program DAMASK_spectral
|
|||
complex(pReal), dimension(:,:,:), pointer :: scalarField_fourier
|
||||
integer(pInt) :: row, column
|
||||
|
||||
!##################################################################################################
|
||||
! reading of information from load case file and geometry file
|
||||
!##################################################################################################
|
||||
#ifdef PETSC
|
||||
integer :: ierr_psc
|
||||
call PetscInitialize(PETSC_NULL_CHARACTER, ierr_psc)
|
||||
#endif
|
||||
call DAMASK_interface_init
|
||||
if (solver == 'AL') solverInit%F_init=1.0_pReal
|
||||
|
||||
write(6,'(a)') ''
|
||||
write(6,'(a)') ' <<<+- DAMASK_spectral init -+>>>'
|
||||
write(6,'(a)') ' <<<+- DAMASK_spectralSolver init -+>>>'
|
||||
write(6,'(a)') ' $Id$'
|
||||
#include "compilation_info.f90"
|
||||
write(6,'(a)') ''
|
||||
|
|
@ -279,12 +230,8 @@ program DAMASK_spectral
|
|||
allocate (F_lastInc ( res(1), res(2),res(3),3,3), source = 0.0_pReal)
|
||||
allocate (xi (3,res1_red,res(2),res(3)), source = 0.0_pReal)
|
||||
allocate (coordinates( res(1), res(2),res(3),3), source = 0.0_pReal)
|
||||
allocate (temperature( res(1), res(2),res(3)), source = bc(1)%temperature) ! start out isothermally
|
||||
allocate (temperature( res(1), res(2),res(3)), source = loadcase%temperature) ! start out isothermally
|
||||
tensorField = fftw_alloc_complex(int(res1_red*res(2)*res(3)*9_pInt,C_SIZE_T)) ! allocate continous data using a C function, C_SIZE_T is of type integer(8)
|
||||
call c_f_pointer(tensorField, P_real, [ res(1)+2_pInt,res(2),res(3),3,3]) ! place a pointer for a real representation on tensorField
|
||||
call c_f_pointer(tensorField, deltaF_real, [ res(1)+2_pInt,res(2),res(3),3,3]) ! place a pointer for a real representation on tensorField
|
||||
call c_f_pointer(tensorField, P_fourier, [ res1_red, res(2),res(3),3,3]) ! place a pointer for a complex representation on tensorField
|
||||
call c_f_pointer(tensorField, deltaF_fourier, [ res1_red, res(2),res(3),3,3]) ! place a pointer for a complex representation on tensorField
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! general initialization of fftw (see manual on fftw.org for more details)
|
||||
|
|
@ -423,121 +370,129 @@ program DAMASK_spectral
|
|||
gamma_hat(1,1,1, 1:3,1:3,1:3,1:3) = 0.0_pReal ! singular point at xi=(0.0,0.0,0.0) i.e. i=j=k=1
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! write header of output file
|
||||
if (appendToOutFile) then
|
||||
open(538,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'.spectralOut',&
|
||||
form='UNFORMATTED', position='APPEND', status='OLD')
|
||||
else
|
||||
open(538,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'.spectralOut',&
|
||||
form='UNFORMATTED',status='REPLACE')
|
||||
write(538) 'load', trim(loadCaseFile)
|
||||
write(538) 'workingdir', trim(getSolverWorkingDirectoryName())
|
||||
write(538) 'geometry', trim(geometryFile)
|
||||
write(538) 'resolution', res
|
||||
write(538) 'dimension', geomdim
|
||||
write(538) 'materialpoint_sizeResults', materialpoint_sizeResults
|
||||
write(538) 'loadcases', N_Loadcases
|
||||
write(538) 'frequencies', bc(1:N_Loadcases)%outputfrequency ! one entry per loadcase
|
||||
write(538) 'times', bc(1:N_Loadcases)%time ! one entry per loadcase
|
||||
write(538) 'logscales', bc(1:N_Loadcases)%logscale
|
||||
write(538) 'increments', bc(1:N_Loadcases)%incs ! one entry per loadcase
|
||||
write(538) 'startingIncrement', restartInc - 1_pInt ! start with writing out the previous inc
|
||||
write(538) 'eoh' ! end of header
|
||||
write(538) materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:Npoints) ! initial (non-deformed or read-in) results
|
||||
if (debugGeneral) write(6,'(a)') 'Header of result file written out'
|
||||
endif
|
||||
|
||||
|
||||
!##################################################################################################
|
||||
! Loop over loadcases defined in the loadcase file
|
||||
!##################################################################################################
|
||||
do loadcase = 1_pInt, N_Loadcases
|
||||
time0 = time ! loadcase start time
|
||||
if (bc(loadcase)%followFormerTrajectory .and. &
|
||||
(restartInc < totalIncsCounter .or. &
|
||||
restartInc > totalIncsCounter+bc(loadcase)%incs) ) then ! continue to guess along former trajectory where applicable
|
||||
guessmode = 1.0_pReal
|
||||
else
|
||||
guessmode = 0.0_pReal ! change of load case, homogeneous guess for the first inc
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
end function solverInit
|
||||
|
||||
|
||||
|
||||
type(solution_t) function solution(solver,load,restartWrite)
|
||||
|
||||
use numerics, only: &
|
||||
err_div_tol, &
|
||||
err_stress_tolrel, &
|
||||
err_stress_tolabs, &
|
||||
rotation_tol, &
|
||||
itmax,&
|
||||
itmin, &
|
||||
memory_efficient, &
|
||||
divergence_correction, &
|
||||
DAMASK_NumThreadsInt, &
|
||||
fftw_planner_flag, &
|
||||
fftw_timelimit
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! arrays for mixed boundary conditions
|
||||
mask_defgrad = merge(ones,zeroes,bc(loadcase)%maskDeformation)
|
||||
mask_stress = merge(ones,zeroes,bc(loadcase)%maskStress)
|
||||
size_reduced = int(count(bc(loadcase)%maskStressVector), pInt)
|
||||
logical restartWrite
|
||||
character(len=*) :: solver
|
||||
type(bc_type) :: load
|
||||
real(pReal) :: pstress_av_L2, err_div_RMS, err_real_div_RMS, err_post_div_RMS,&
|
||||
err_div_max, err_real_div_max
|
||||
real(pReal), dimension(3,3), parameter :: ones = 1.0_pReal, zeroes = 0.0_pReal
|
||||
complex(pReal), dimension(3) :: temp3_complex
|
||||
complex(pReal), dimension(3,3) :: temp33_complex
|
||||
integer(pInt) :: size_reduced = 0_pInt
|
||||
real(pReal), dimension(:,:), allocatable :: s_reduced, c_reduced ! reduced compliance and stiffness (only for stress BC)
|
||||
real(pReal), dimension(6) :: sigma ! cauchy stress
|
||||
real(pReal), dimension(6,6) :: dsde
|
||||
real(pReal), dimension(9,9) :: temp99_Real ! compliance and stiffness in matrix notation
|
||||
|
||||
integer(pInt) :: Npoints
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! pointwise data
|
||||
type(C_PTR) :: tensorField ! field in real an fourier space
|
||||
real(pReal), dimension(:,:,:,:,:), pointer :: P_real, deltaF_real ! field in real space (pointer)
|
||||
|
||||
complex(pReal), dimension(:,:,:,:,:), pointer :: P_fourier,deltaF_fourier ! field in fourier space (pointer)
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! variables storing information for spectral method and FFTW
|
||||
type(C_PTR) :: plan_stress, plan_correction ! plans for fftw
|
||||
real(pReal), dimension(3,3) :: xiDyad ! product of wave vectors
|
||||
real(pReal), dimension(:,:,:,:,:,:,:), allocatable :: gamma_hat ! gamma operator (field) for spectral method
|
||||
real(pReal), dimension(:,:,:,:), allocatable :: xi ! wave vector field for divergence and for gamma operator
|
||||
integer(pInt), dimension(3) :: k_s, res
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! loop variables, convergence etc.
|
||||
real(pReal) :: time0 = 0.0_pReal, timeinc = 1.0_pReal, timeinc_old = 0.0_pReal ! elapsed time, begin of interval, time interval
|
||||
real(pReal) :: guessmode, err_div, err_stress, err_stress_tol
|
||||
real(pReal), dimension(3,3) :: temp33_Real
|
||||
integer(pInt) :: i, j, k, l, m, n, p, errorID
|
||||
integer(pInt) :: N_Loadcases, loadcase = 0_pInt, inc, iter, ielem, CPFEM_mode=1_pInt, &
|
||||
ierr, totalIncsCounter = 0_pInt,&
|
||||
notConvergedCounter = 0_pInt, convergedCounter = 0_pInt
|
||||
logical :: errmatinv
|
||||
real(pReal) :: defgradDet
|
||||
character(len=6) :: loadcase_string
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!variables controlling debugging
|
||||
logical :: debugGeneral, debugDivergence, debugRestart, debugFFTW
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!variables for additional output due to general debugging
|
||||
real(pReal) :: defgradDetMax, defgradDetMin, maxCorrectionSym, maxCorrectionSkew
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! variables for additional output of divergence calculations
|
||||
type(C_PTR) :: divergence, plan_divergence
|
||||
type(C_PTR) :: scalarField_realC, scalarField_fourierC,&
|
||||
plan_scalarField_forth, plan_scalarField_back
|
||||
real(pReal), dimension(:,:,:,:), pointer :: divergence_real
|
||||
complex(pReal), dimension(:,:,:,:), pointer :: divergence_fourier
|
||||
real(pReal), dimension(:,:,:,:), allocatable :: divergence_post
|
||||
integer(pInt) :: row, column
|
||||
real(pReal), dimension(3,3) :: &
|
||||
P_av, &
|
||||
F_aim = math_I3, &
|
||||
F_aim_lastInc = math_I3, &
|
||||
mask_stress, &
|
||||
mask_defgrad, &
|
||||
deltaF_aim, &
|
||||
F_aim_lab, &
|
||||
F_aim_lab_lastIter, &
|
||||
P_av_lab
|
||||
real(pReal), dimension(3,3,3,3) :: &
|
||||
dPdF, &
|
||||
C_ref = 0.0_pReal, &
|
||||
C = 0.0_pReal, &
|
||||
S_lastInc, &
|
||||
C_lastInc
|
||||
real(pReal), dimension(3) :: geomdim = 0.0_pReal, virt_dim = 0.0_pReal
|
||||
|
||||
integer(pInt) :: &
|
||||
res1_red
|
||||
real(pReal) :: wgt
|
||||
if (solver == 'AL') solution%converged=.true.
|
||||
mask_defgrad = merge(ones,zeroes,load%maskDeformation)
|
||||
mask_stress = merge(ones,zeroes,load%maskStress)
|
||||
size_reduced = int(count(load%maskStressVector), pInt)
|
||||
allocate (c_reduced(size_reduced,size_reduced), source =0.0_pReal)
|
||||
allocate (s_reduced(size_reduced,size_reduced), source =0.0_pReal)
|
||||
|
||||
!##################################################################################################
|
||||
! loop oper incs defined in input file for current loadcase
|
||||
!##################################################################################################
|
||||
do inc = 1_pInt, bc(loadcase)%incs
|
||||
totalIncsCounter = totalIncsCounter + 1_pInt
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! forwarding time
|
||||
timeinc_old = timeinc
|
||||
if (bc(loadcase)%logscale == 0_pInt) then ! linear scale
|
||||
timeinc = bc(loadcase)%time/bc(loadcase)%incs ! only valid for given linear time scale. will be overwritten later in case loglinear scale is used
|
||||
else
|
||||
if (loadcase == 1_pInt) then ! 1st loadcase of logarithmic scale
|
||||
if (inc == 1_pInt) then ! 1st inc of 1st loadcase of logarithmic scale
|
||||
timeinc = bc(1)%time*(2.0_pReal**real( 1_pInt-bc(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd
|
||||
else ! not-1st inc of 1st loadcase of logarithmic scale
|
||||
timeinc = bc(1)%time*(2.0_pReal**real(inc-1_pInt-bc(1)%incs ,pReal))
|
||||
endif
|
||||
else ! not-1st loadcase of logarithmic scale
|
||||
timeinc = time0 *( (1.0_pReal + bc(loadcase)%time/time0 )**(real( inc,pReal)/&
|
||||
real(bc(loadcase)%incs ,pReal))&
|
||||
-(1.0_pReal + bc(loadcase)%time/time0 )**(real( (inc-1_pInt),pReal)/&
|
||||
real(bc(loadcase)%incs ,pReal)) )
|
||||
endif
|
||||
endif
|
||||
time = time + timeinc
|
||||
|
||||
if(totalIncsCounter >= restartInc) then ! do calculations (otherwise just forwarding)
|
||||
if (bc(loadcase)%velGradApplied) then ! calculate deltaF_aim from given L and current F
|
||||
deltaF_aim = timeinc * mask_defgrad * math_mul33x33(bc(loadcase)%deformation, F_aim)
|
||||
else ! deltaF_aim = fDot *timeinc where applicable
|
||||
deltaF_aim = timeinc * mask_defgrad * bc(loadcase)%deformation
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! winding forward of deformation aim in loadcase system
|
||||
temp33_Real = F_aim
|
||||
F_aim = F_aim &
|
||||
+ guessmode * mask_stress * (F_aim - F_aim_lastInc)*timeinc/timeinc_old &
|
||||
+ deltaF_aim
|
||||
F_aim_lastInc = temp33_Real
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! update local deformation gradient and coordinates
|
||||
deltaF_aim = math_rotate_backward33(deltaF_aim,bc(loadcase)%rotation)
|
||||
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
|
||||
temp33_Real = F(i,j,k,1:3,1:3)
|
||||
F(i,j,k,1:3,1:3) = F(i,j,k,1:3,1:3) & ! decide if guessing along former trajectory or apply homogeneous addon
|
||||
+ guessmode * (F(i,j,k,1:3,1:3) - F_lastInc(i,j,k,1:3,1:3))& ! guessing...
|
||||
*timeinc/timeinc_old &
|
||||
+ (1.0_pReal-guessmode) * deltaF_aim ! if not guessing, use prescribed average deformation where applicable
|
||||
F_lastInc(i,j,k,1:3,1:3) = temp33_Real
|
||||
enddo; enddo; enddo
|
||||
call deformed_fft(res,geomdim,math_rotate_backward33(F_aim,bc(loadcase)%rotation),& ! calculate current coordinates
|
||||
1.0_pReal,F_lastInc,coordinates)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate reduced compliance
|
||||
if(size_reduced > 0_pInt) then ! calculate compliance in case stress BC is applied
|
||||
C_lastInc = math_rotate_forward3333(C,bc(loadcase)%rotation) ! calculate stiffness from former inc
|
||||
C_lastInc = math_rotate_forward3333(C,load%rotation) ! calculate stiffness from former inc
|
||||
temp99_Real = math_Plain3333to99(C_lastInc)
|
||||
k = 0_pInt ! build reduced stiffness
|
||||
do n = 1_pInt,9_pInt
|
||||
if(bc(loadcase)%maskStressVector(n)) then
|
||||
if(load%maskStressVector(n)) then
|
||||
k = k + 1_pInt
|
||||
j = 0_pInt
|
||||
do m = 1_pInt,9_pInt
|
||||
if(bc(loadcase)%maskStressVector(m)) then
|
||||
if(load%maskStressVector(m)) then
|
||||
j = j + 1_pInt
|
||||
c_reduced(k,j) = temp99_Real(n,m)
|
||||
endif; enddo; endif; enddo
|
||||
|
|
@ -546,29 +501,23 @@ program DAMASK_spectral
|
|||
temp99_Real = 0.0_pReal ! build full compliance
|
||||
k = 0_pInt
|
||||
do n = 1_pInt,9_pInt
|
||||
if(bc(loadcase)%maskStressVector(n)) then
|
||||
if(load%maskStressVector(n)) then
|
||||
k = k + 1_pInt
|
||||
j = 0_pInt
|
||||
do m = 1_pInt,9_pInt
|
||||
if(bc(loadcase)%maskStressVector(m)) then
|
||||
if(load%maskStressVector(m)) then
|
||||
j = j + 1_pInt
|
||||
temp99_Real(n,m) = s_reduced(k,j)
|
||||
endif; enddo; endif; enddo
|
||||
S_lastInc = (math_Plain99to3333(temp99_Real))
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! report begin of new increment
|
||||
write(6,'(a)') '##################################################################'
|
||||
write(6,'(A,I5.5,A,es12.5)') 'Increment ', totalIncsCounter, ' Time ',time
|
||||
|
||||
guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase
|
||||
guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase
|
||||
iter = 0_pInt
|
||||
err_div = huge(err_div_tol) ! go into loop
|
||||
|
||||
!##################################################################################################
|
||||
!##################################################################################################
|
||||
! convergence loop (looping over iterations)
|
||||
!##################################################################################################
|
||||
|
||||
do while((iter < itmax .and. (err_div > err_div_tol .or. err_stress > err_stress_tol))&
|
||||
.or. iter < itmin)
|
||||
iter = iter + 1_pInt
|
||||
|
|
@ -577,14 +526,14 @@ program DAMASK_spectral
|
|||
! report begin of new iteration
|
||||
write(6,'(a)') ''
|
||||
write(6,'(a)') '=================================================================='
|
||||
write(6,'(6(a,i6.6))') 'Loadcase ',loadcase,' Inc. ',inc,'/',bc(loadcase)%incs,&
|
||||
write(6,'(6(a,i6.6))') 'Loadcase ',loadcase,' Inc. ',inc,'/',load%incs,&
|
||||
' @ Iter. ',itmin,' < ',iter,' < ',itmax
|
||||
write(6,'(a,/,3(3(f12.7,1x)/))',advance='no') 'deformation gradient aim =',&
|
||||
math_transpose33(F_aim)
|
||||
write(6,'(a)') ''
|
||||
write(6,'(a)') '... update stress field P(F) .....................................'
|
||||
if (restartWrite) write(6,'(a)') 'writing restart info for last increment'
|
||||
F_aim_lab_lastIter = math_rotate_backward33(F_aim,bc(loadcase)%rotation)
|
||||
F_aim_lab_lastIter = math_rotate_backward33(F_aim,load%rotation)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! evaluate constitutive response
|
||||
ielem = 0_pInt
|
||||
|
|
@ -635,7 +584,7 @@ program DAMASK_spectral
|
|||
call fftw_execute_dft_r2c(plan_stress,P_real,P_fourier)
|
||||
|
||||
P_av_lab = real(P_fourier(1,1,1,1:3,1:3),pReal)*wgt
|
||||
P_av = math_rotate_forward33(P_av_lab,bc(loadcase)%rotation)
|
||||
P_av = math_rotate_forward33(P_av_lab,load%rotation)
|
||||
write (6,'(a,/,3(3(f12.7,1x)/))',advance='no') 'Piola-Kirchhoff stress / MPa =',&
|
||||
math_transpose33(P_av)/1.e6_pReal
|
||||
|
||||
|
|
@ -666,19 +615,19 @@ program DAMASK_spectral
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! stress BC handling
|
||||
if(size_reduced > 0_pInt) then ! calculate stress BC if applied
|
||||
err_stress = maxval(abs(mask_stress * (P_av - bc(loadcase)%stress))) ! maximum deviaton (tensor norm not applicable)
|
||||
err_stress = maxval(abs(mask_stress * (P_av - load%stress))) ! maximum deviaton (tensor norm not applicable)
|
||||
err_stress_tol = min(maxval(abs(P_av)) * err_stress_tolrel,err_stress_tolabs) ! don't use any tensor norm for the relative criterion because the comparison should be coherent
|
||||
write(6,'(a)') ''
|
||||
write(6,'(a)') '... correcting deformation gradient to fulfill BCs ...............'
|
||||
write(6,'(a,f6.2,a,es11.4,a)') 'error stress = ', err_stress/err_stress_tol, &
|
||||
' (',err_stress,' Pa)'
|
||||
F_aim = F_aim - math_mul3333xx33(S_lastInc, ((P_av - bc(loadcase)%stress))) ! residual on given stress components
|
||||
F_aim = F_aim - math_mul3333xx33(S_lastInc, ((P_av - load%stress))) ! residual on given stress components
|
||||
write(6,'(a,1x,es11.4)')'determinant of new deformation = ',math_det33(F_aim)
|
||||
else
|
||||
err_stress_tol = +huge(1.0_pReal)
|
||||
endif
|
||||
|
||||
F_aim_lab = math_rotate_backward33(F_aim,bc(loadcase)%rotation) ! boundary conditions from load frame into lab (Fourier) frame
|
||||
F_aim_lab = math_rotate_backward33(F_aim,load%rotation) ! boundary conditions from load frame into lab (Fourier) frame
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! actual spectral method
|
||||
|
|
@ -870,26 +819,11 @@ program DAMASK_spectral
|
|||
|
||||
CPFEM_mode = 1_pInt ! winding forward
|
||||
C = C * wgt
|
||||
write(6,'(a)') ''
|
||||
write(6,'(a)') '=================================================================='
|
||||
if(err_div > err_div_tol .or. err_stress > err_stress_tol) then
|
||||
write(6,'(A,I5.5,A)') 'increment ', totalIncsCounter, ' NOT converged'
|
||||
notConvergedCounter = notConvergedCounter + 1_pInt
|
||||
else
|
||||
convergedCounter = convergedCounter + 1_pInt
|
||||
write(6,'(A,I5.5,A)') 'increment ', totalIncsCounter, ' converged'
|
||||
endif
|
||||
|
||||
if (mod(inc,bc(loadcase)%outputFrequency) == 0_pInt) then ! at output frequency
|
||||
write(6,'(a)') ''
|
||||
write(6,'(a)') '... writing results to file ......................................'
|
||||
write(538) materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:Npoints) ! write result to file
|
||||
flush(538)
|
||||
endif
|
||||
|
||||
if( bc(loadcase)%restartFrequency > 0_pInt .and. &
|
||||
mod(inc,bc(loadcase)%restartFrequency) == 0_pInt) then ! at frequency of writing restart information set restart parameter for FEsolving (first call to CPFEM_general will write ToDo: true?)
|
||||
restartInc=totalIncsCounter
|
||||
if( load%restartFrequency > 0_pInt .and. &
|
||||
mod(inc,load%restartFrequency) == 0_pInt) then ! at frequency of writing restart information set restart parameter for FEsolving (first call to CPFEM_general will write ToDo: true?)
|
||||
!restartInc=totalIncsCounter
|
||||
restartWrite = .true.
|
||||
write(6,'(a)') 'writing converged results for restart'
|
||||
call IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(F)) ! writing deformation gradient field to file
|
||||
|
|
@ -900,25 +834,11 @@ program DAMASK_spectral
|
|||
close(777)
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||||
endif
|
||||
|
||||
endif ! end calculation/forwarding
|
||||
enddo ! end looping over incs in current loadcase
|
||||
|
||||
deallocate(c_reduced)
|
||||
deallocate(s_reduced)
|
||||
enddo ! end looping over loadcases
|
||||
write(6,'(a)') ''
|
||||
write(6,'(a)') '##################################################################'
|
||||
write(6,'(i6.6,a,i6.6,a,f5.1,a)') convergedCounter, ' out of ', &
|
||||
notConvergedCounter + convergedCounter, ' (', &
|
||||
real(convergedCounter, pReal)/&
|
||||
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, &
|
||||
' %) increments converged!'
|
||||
close(538)
|
||||
call fftw_destroy_plan(plan_stress); call fftw_destroy_plan(plan_correction)
|
||||
if (debugDivergence) call fftw_destroy_plan(plan_divergence)
|
||||
if (debugFFTW) then
|
||||
call fftw_destroy_plan(plan_scalarField_forth)
|
||||
call fftw_destroy_plan(plan_scalarField_back)
|
||||
endif
|
||||
if (notConvergedCounter > 0_pInt) call quit(3_pInt)
|
||||
call quit(0_pInt)
|
||||
end program DAMASK_spectral
|
||||
end function solution
|
||||
|
||||
|
||||
|
||||
end module DAMASK_spectralSolver
|
||||
|
|
|
|||
|
|
@ -107,108 +107,10 @@ program DAMASK_spectral
|
|||
materialpoint_results
|
||||
|
||||
implicit none
|
||||
|
||||
#ifdef PETSC
|
||||
#include <finclude/petscsys.h>
|
||||
#include <finclude/petscvec.h>
|
||||
#include <finclude/petscsnes.h>
|
||||
#include <finclude/petscvec.h90>
|
||||
#include <finclude/petscsnes.h90>
|
||||
#endif
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! variables related to information from load case and geom file
|
||||
real(pReal), dimension(9) :: &
|
||||
temp_valueVector !> temporarily from loadcase file when reading in tensors
|
||||
logical, dimension(9) :: &
|
||||
temp_maskVector !> temporarily from loadcase file when reading in tensors
|
||||
integer(pInt), parameter :: maxNchunksLoadcase = (1_pInt + 9_pInt)*3_pInt +& ! deformation, rotation, and stress
|
||||
(1_pInt + 1_pInt)*5_pInt +& ! time, (log)incs, temp, restartfrequency, and outputfrequency
|
||||
1_pInt, & ! dropguessing
|
||||
maxNchunksGeom = 7_pInt, & ! 4 identifiers, 3 values
|
||||
myUnit = 234_pInt
|
||||
integer(pInt), dimension(1_pInt + maxNchunksLoadcase*2_pInt) :: positions ! this is longer than needed for geometry parsing
|
||||
|
||||
integer(pInt) :: &
|
||||
N_l = 0_pInt, &
|
||||
N_t = 0_pInt, &
|
||||
N_n = 0_pInt, &
|
||||
N_Fdot = 0_pInt, &
|
||||
Npoints,& ! number of Fourier points
|
||||
homog, & ! homogenization scheme used
|
||||
res1_red ! to store res(1)/2 +1
|
||||
|
||||
character(len=1024) :: &
|
||||
line
|
||||
|
||||
type bc_type
|
||||
real(pReal), dimension (3,3) :: deformation = 0.0_pReal, & ! applied velocity gradient or time derivative of deformation gradient
|
||||
stress = 0.0_pReal, & ! stress BC (if applicable)
|
||||
rotation = math_I3 ! rotation of BC (if applicable)
|
||||
real(pReal) :: time = 0.0_pReal, & ! length of increment
|
||||
temperature = 300.0_pReal ! isothermal starting conditions
|
||||
integer(pInt) :: incs = 0_pInt, & ! number of increments
|
||||
outputfrequency = 1_pInt, & ! frequency of result writes
|
||||
restartfrequency = 0_pInt, & ! frequency of restart writes
|
||||
logscale = 0_pInt ! linear/logaritmic time inc flag
|
||||
logical :: followFormerTrajectory = .true., & ! follow trajectory of former loadcase
|
||||
velGradApplied = .false. ! decide wether velocity gradient or fdot is given
|
||||
logical, dimension(3,3) :: maskDeformation = .false., & ! mask of deformation boundary conditions
|
||||
maskStress = .false. ! mask of stress boundary conditions
|
||||
logical, dimension(9) :: maskStressVector = .false. ! linear mask of boundary conditions
|
||||
end type
|
||||
|
||||
type(bc_type), allocatable, dimension(:) :: bc
|
||||
|
||||
|
||||
real(pReal) :: wgt
|
||||
real(pReal), dimension(3) :: geomdim = 0.0_pReal, virt_dim = 0.0_pReal ! physical dimension of volume element per direction
|
||||
integer(pInt), dimension(3) :: res = 1_pInt ! resolution (number of Fourier points) in each direction
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! stress, stiffness and compliance average etc.
|
||||
real(pReal), dimension(3,3) :: &
|
||||
P_av, &
|
||||
F_aim = math_I3, &
|
||||
F_aim_lastInc = math_I3, &
|
||||
mask_stress, &
|
||||
mask_defgrad, &
|
||||
deltaF_aim, &
|
||||
F_aim_lab, &
|
||||
F_aim_lab_lastIter, &
|
||||
P_av_lab
|
||||
|
||||
real(pReal), dimension(3,3,3,3) :: &
|
||||
dPdF, &
|
||||
C_ref = 0.0_pReal, &
|
||||
C = 0.0_pReal, &
|
||||
S_lastInc, &
|
||||
C_lastInc ! stiffness and compliance
|
||||
|
||||
real(pReal), dimension(6) :: sigma ! cauchy stress
|
||||
real(pReal), dimension(6,6) :: dsde
|
||||
real(pReal), dimension(9,9) :: temp99_Real ! compliance and stiffness in matrix notation
|
||||
real(pReal), dimension(:,:), allocatable :: s_reduced, c_reduced ! reduced compliance and stiffness (only for stress BC)
|
||||
integer(pInt) :: size_reduced = 0_pInt ! number of stress BCs
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! pointwise data
|
||||
type(C_PTR) :: tensorField ! field in real an fourier space
|
||||
! field in real an fourier space
|
||||
real(pReal), dimension(:,:,:,:,:), pointer :: P_real, deltaF_real ! field in real space (pointer)
|
||||
|
||||
complex(pReal), dimension(:,:,:,:,:), pointer :: P_fourier,deltaF_fourier ! field in fourier space (pointer)
|
||||
|
||||
real(pReal), dimension(:,:,:,:,:), allocatable :: F, F_lastInc
|
||||
real(pReal), dimension(:,:,:,:), allocatable :: coordinates
|
||||
real(pReal), dimension(:,:,:), allocatable :: temperature
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! variables storing information for spectral method and FFTW
|
||||
type(C_PTR) :: plan_stress, plan_correction ! plans for fftw
|
||||
real(pReal), dimension(3,3) :: xiDyad ! product of wave vectors
|
||||
real(pReal), dimension(:,:,:,:,:,:,:), allocatable :: gamma_hat ! gamma operator (field) for spectral method
|
||||
real(pReal), dimension(:,:,:,:), allocatable :: xi ! wave vector field for divergence and for gamma operator
|
||||
integer(pInt), dimension(3) :: k_s
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! loop variables, convergence etc.
|
||||
real(pReal) :: time = 0.0_pReal, time0 = 0.0_pReal, timeinc = 1.0_pReal, timeinc_old = 0.0_pReal ! elapsed time, begin of interval, time interval
|
||||
|
|
|
|||
Loading…
Reference in New Issue