documented utilities and structured, worked on the restart capabilities of the new basic solver
This commit is contained in:
Martin Diehl
parent
aefe8d7e32
commit
13b55275b1
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@ -209,7 +209,7 @@ subroutine CPFEM_init
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!$OMP CRITICAL (write2out)
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write(6,*)
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write(6,*) '<<<+- cpfem init -+>>>'
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write(6,*) '<<<+- CPFEM init -+>>>'
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write(6,*) '$Id$'
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#include "compilation_info.f90"
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if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0) then
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@ -238,15 +238,9 @@ program DAMASK_spectral
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complex(pReal), dimension(:,:,:), pointer :: scalarField_real
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complex(pReal), dimension(:,:,:), pointer :: scalarField_fourier
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integer(pInt) :: row, column
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!##################################################################################################
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! reading of information from load case file and geometry file
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!##################################################################################################
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#ifdef PETSC
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integer :: ierr_psc
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call PetscInitialize(PETSC_NULL_CHARACTER, ierr_psc)
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#endif
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!--------------------------------------------------------------------------------------------------
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! initialization of all related DAMASK modules (e.g. mesh.f90 reads in geometry)
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call CPFEM_initAll(temperature = 300.0_pReal, element = 1_pInt, IP= 1_pInt)
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@ -393,13 +387,13 @@ program DAMASK_spectral
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else
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write(6,'(a)')'deformation gradient rate:'
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endif
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write (6,'(3(3(f12.7,1x)/))',advance='no') merge(math_transpose33(bc(loadcase)%deformation),&
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write(6,'(3(3(f12.7,1x)/))',advance='no') merge(math_transpose33(bc(loadcase)%deformation),&
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reshape(spread(DAMASK_NaN,1,9),[ 3,3]),transpose(bc(loadcase)%maskDeformation))
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write (6,'(a,/,3(3(f12.7,1x)/))',advance='no') ' stress / GPa:',&
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write(6,'(a,/,3(3(f12.7,1x)/))',advance='no') ' stress / GPa:',&
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1e-9_pReal*merge(math_transpose33(bc(loadcase)%stress),&
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reshape(spread(DAMASK_NaN,1,9),[ 3,3]),transpose(bc(loadcase)%maskStress))
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if (any(bc(loadcase)%rotation /= math_I3)) &
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write (6,'(a,/,3(3(f12.7,1x)/))',advance='no') ' rotation of loadframe:',&
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write(6,'(a,/,3(3(f12.7,1x)/))',advance='no') ' rotation of loadframe:',&
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math_transpose33(bc(loadcase)%rotation)
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write(6,'(a,f12.6)') 'temperature:', bc(loadcase)%temperature
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write(6,'(a,f12.6)') 'time: ', bc(loadcase)%time
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@ -539,7 +533,7 @@ program DAMASK_spectral
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enddo; enddo; enddo
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if (debugGeneral) write(6,'(a)') 'First call to CPFEM finished'
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C = C * wgt
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!--------------------------------------------------------------------------------------------------
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! calculation of discrete angular frequencies, ordered as in FFTW (wrap around)
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@ -805,7 +799,7 @@ program DAMASK_spectral
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P_av_lab = real(P_fourier(1,1,1,1:3,1:3),pReal)*wgt
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P_av = math_rotate_forward33(P_av_lab,bc(loadcase)%rotation)
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write (6,'(a,/,3(3(f12.7,1x)/))',advance='no') 'Piola-Kirchhoff stress / MPa =',&
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write(6,'(a,/,3(3(f12.7,1x)/))',advance='no') 'Piola-Kirchhoff stress / MPa =',&
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math_transpose33(P_av)/1.e6_pReal
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!--------------------------------------------------------------------------------------------------
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@ -1051,7 +1045,7 @@ program DAMASK_spectral
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if (mod(inc,bc(loadcase)%outputFrequency) == 0_pInt) then ! at output frequency
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write(6,'(a)') ''
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write(6,'(a)') '... writing results to file ......................................'
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write(538) materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:mesh_NcpElems) ! write result to file
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write(538) materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:mesh_NcpElems) ! write result to file
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flush(538)
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endif
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@ -1,5 +1,5 @@
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!--------------------------------------------------------------------------------------------------
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!* $Id$
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! $Id$
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!--------------------------------------------------------------------------------------------------
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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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@ -15,12 +15,10 @@ program DAMASK_spectral_Driver
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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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DAMASK_NaN
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use IO, only: &
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IO_isBlank, &
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IO_open_file, &
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@ -33,36 +31,28 @@ program DAMASK_spectral_Driver
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IO_read_jobBinaryFile, &
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IO_write_jobBinaryFile, &
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IO_intOut
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use math
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use math ! need to include the whole module for FFTW
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use mesh, only : &
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res, &
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geomdim, &
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mesh_NcpElems
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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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maxCutBack, &
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rotation_tol, &
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mySpectralSolver
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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_spectral_Utilities, only: &
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tBoundaryCondition, &
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tSolutionState, &
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debugGeneral, &
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cutBack
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use DAMASK_spectral_SolverBasic
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#ifdef PETSc
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use DAMASK_spectral_SolverBasicPETSC
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@ -96,12 +86,11 @@ program DAMASK_spectral_Driver
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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, & ! number of Fourier points
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N_Fdot = 0_pInt, & !
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myUnit = 234_pInt
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character(len=1024) :: &
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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 :: ones = 1.0_pReal, zeros = 0.0_pReal
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@ -120,11 +109,11 @@ program DAMASK_spectral_Driver
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!--------------------------------------------------------------------------------------------------
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! init DAMASK (all modules)
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call CPFEM_initAll(temperature = 300.0_pReal, element = 1_pInt, IP= 1_pInt)
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write(6,'(a)') ''
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write(6,'(a)') ' <<<+- DAMASK_spectral_driver init -+>>>'
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write(6,'(a)') ' $Id$'
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#include "compilation_info.f90"
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!--------------------------------------------------------------------------------------------------
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! reading basic information from 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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@ -147,12 +136,12 @@ program DAMASK_spectral_Driver
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enddo ! count all identifiers to allocate memory and do sanity check
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enddo
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100 if ((N_l + N_Fdot /= N_n) .or. (N_n /= N_t)) & ! sanity check
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call IO_error(error_ID=837_pInt,ext_msg = trim(loadCaseFile)) ! error message for incomplete loadcase
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100 if ((N_l + N_Fdot /= N_n) .or. (N_n /= N_t)) & ! sanity check
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call IO_error(error_ID=837_pInt,ext_msg = trim(loadCaseFile)) ! error message for incomplete loadcase
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allocate (loadCases(N_n))
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loadCases%P%myType='p'
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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! reading the load case and assign values to the allocated data structure
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rewind(myUnit)
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do
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@ -163,7 +152,7 @@ program DAMASK_spectral_Driver
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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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if (IO_lc(IO_stringValue(line,positions,i)) == 'l'.or. & ! in case of given L, set flag to true
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if (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') then
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@ -203,7 +192,7 @@ program DAMASK_spectral_Driver
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case('r','restart','restartwrite') ! frequency of writing restart information
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loadCases(currentLoadCase)%restartfrequency = max(0_pInt,IO_intValue(line,positions,i+1_pInt))
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case('guessreset','dropguessing')
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loadCases(currentLoadCase)%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory
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loadCases(currentLoadCase)%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory
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case('euler') ! rotation of currentLoadCase given in euler angles
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l = 0_pInt ! assuming values given in degrees
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k = 0_pInt ! assuming keyword indicating degree/radians
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@ -228,58 +217,65 @@ program DAMASK_spectral_Driver
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!--------------------------------------------------------------------------------------------------
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! consistency checks and output of load case
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loadCases(1)%followFormerTrajectory = .false. ! cannot guess along trajectory for first inc of first currentLoadCase
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loadCases(1)%followFormerTrajectory = .false. ! cannot guess along trajectory for first inc of first currentLoadCase
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errorID = 0_pInt
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checkLoadcases: do currentLoadCase = 1_pInt, size(loadCases)
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write (loadcase_string, '(i6)' ) currentLoadCase
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write(6,'(1x,a,i6)') 'load case: ', currentLoadCase
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if (.not. loadCases(currentLoadCase)%followFormerTrajectory) write(6,'(2x,a)') 'drop guessing along trajectory'
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if (.not. loadCases(currentLoadCase)%followFormerTrajectory) &
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write(6,'(2x,a)') 'drop guessing along trajectory'
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if (loadCases(currentLoadCase)%deformation%myType=='l') then
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do j = 1_pInt, 3_pInt
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if (any(loadCases(currentLoadCase)%deformation%maskLogical(j,1:3) .eqv. .true.) .and. &
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any(loadCases(currentLoadCase)%deformation%maskLogical(j,1:3) .eqv. .false.)) errorID = 832_pInt ! each row should be either fully or not at all defined
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any(loadCases(currentLoadCase)%deformation%maskLogical(j,1:3) .eqv. .false.)) &
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errorID = 832_pInt ! 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
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write(6,'(2x,a)') 'deformation gradient rate:'
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endif
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write(6,'(3(3(3x,f12.7,1x)/))',advance='no') merge(math_transpose33(loadCases(currentLoadCase)%deformation%values),&
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reshape(spread(huge(1.0_pReal),1,9),[ 3,3]),transpose(loadCases(currentLoadCase)%deformation%maskLogical))
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write(6,'(3(3(3x,f12.7,1x)/))',advance='no') &
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merge(math_transpose33(loadCases(currentLoadCase)%deformation%values), &
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reshape(spread(huge(1.0_pReal),1,9),[ 3,3]), &
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transpose(loadCases(currentLoadCase)%deformation%maskLogical))
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if (any(loadCases(currentLoadCase)%P%maskLogical .eqv. &
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loadCases(currentLoadCase)%deformation%maskLogical)) errorID = 831_pInt ! exclusive or masking only
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if (any(loadCases(currentLoadCase)%P%maskLogical .and. &
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transpose(loadCases(currentLoadCase)%P%maskLogical) .and. &
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reshape([ .false.,.true.,.true.,.true.,.false.,.true.,.true.,.true.,.false.],[ 3,3]))) &
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errorID = 838_pInt ! no rotation is allowed by stress BC
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write(6,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'stress / GPa:',&
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1e-9_pReal*merge(math_transpose33(loadCases(currentLoadCase)%P%values),&
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reshape(spread(huge(1.0_pReal),1,9),[ 3,3]),transpose(loadCases(currentLoadCase)%P%maskLogical))
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1e-9_pReal*merge(math_transpose33(loadCases(currentLoadCase)%P%values),&
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reshape(spread(huge(1.0_pReal),1,9),[ 3,3]),&
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transpose(loadCases(currentLoadCase)%P%maskLogical))
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if (any(abs(math_mul33x33(loadCases(currentLoadCase)%rotation, &
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math_transpose33(loadCases(currentLoadCase)%rotation))-math_I3) >&
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reshape(spread(rotation_tol,1,9),[ 3,3]))&
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.or. abs(math_det33(loadCases(currentLoadCase)%rotation)) > &
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1.0_pReal + rotation_tol) errorID = 846_pInt ! given rotation matrix contains strain
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if (any(loadCases(currentLoadCase)%rotation /= 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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math_transpose33(loadCases(currentLoadCase)%rotation)
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math_transpose33(loadCases(currentLoadCase)%rotation)
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write(6,'(2x,a,f12.6)') 'temperature:', loadCases(currentLoadCase)%temperature
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if (loadCases(currentLoadCase)%time < 0.0_pReal) errorID = 834_pInt ! negative time increment
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write(6,'(2x,a,f12.6)') 'time: ', loadCases(currentLoadCase)%time
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if (loadCases(currentLoadCase)%incs < 1_pInt) errorID = 835_pInt ! non-positive incs count
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write(6,'(2x,a,i5)') 'increments: ', loadCases(currentLoadCase)%incs
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write(6,'(2x,a,i5)') 'output frequency: ', loadCases(currentLoadCase)%outputfrequency
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write(6,'(2x,a,i5,/)') 'restart frequency: ', loadCases(currentLoadCase)%restartfrequency
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if (any(loadCases(currentLoadCase)%P%maskLogical .eqv. loadCases(currentLoadCase)%deformation%maskLogical)) errorID = 831_pInt ! exclusive or masking only
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if (any(loadCases(currentLoadCase)%P%maskLogical .and. transpose(loadCases(currentLoadCase)%P%maskLogical) .and. &
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reshape([ .false.,.true.,.true.,.true.,.false.,.true.,.true.,.true.,.false.],[ 3,3]))) &
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errorID = 838_pInt ! no rotation is allowed by stress BC
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if (any(abs(math_mul33x33(loadCases(currentLoadCase)%rotation,math_transpose33(loadCases(currentLoadCase)%rotation))&
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-math_I3) > reshape(spread(rotation_tol,1,9),[ 3,3]))&
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.or. abs(math_det33(loadCases(currentLoadCase)%rotation)) > 1.0_pReal + rotation_tol)&
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errorID = 846_pInt ! given rotation matrix contains strain
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if (loadCases(currentLoadCase)%time < 0.0_pReal) errorID = 834_pInt ! negative time increment
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if (loadCases(currentLoadCase)%incs < 1_pInt) errorID = 835_pInt ! non-positive incs count
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if (loadCases(currentLoadCase)%outputfrequency < 1_pInt) errorID = 836_pInt ! non-positive result frequency
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if (loadCases(currentLoadCase)%outputfrequency < 1_pInt) errorID = 836_pInt ! non-positive result frequency
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write(6,'(2x,a,i5)') 'output frequency: ', &
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loadCases(currentLoadCase)%outputfrequency
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write(6,'(2x,a,i5,/)') 'restart frequency: ', &
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loadCases(currentLoadCase)%restartfrequency
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if (errorID > 0_pInt) call IO_error(error_ID = errorID, ext_msg = loadcase_string)
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enddo checkLoadcases
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select case (myspectralsolver)
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case (DAMASK_spectral_SolverBasic_label)
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call basic_init()
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#ifdef PETSc
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case (DAMASK_spectral_SolverBasicPETSc_label)
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call basicPETSc_init()
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case (DAMASK_spectral_SolverAL_label)
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call AL_init()
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#endif
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@ -291,14 +287,12 @@ program DAMASK_spectral_Driver
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! write header of output file
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if (appendToOutFile) then
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open(newunit=resUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
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'.spectralOut',form='UNFORMATTED', position='APPEND', status='OLD')
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'.spectralOut',form='UNFORMATTED', position='APPEND', status='OLD')
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open(newunit=statUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
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'.sta',form='FORMATTED', position='APPEND', status='OLD')
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'.sta',form='FORMATTED', position='APPEND', status='OLD')
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else
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open(newunit=resUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
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'.spectralOut',form='UNFORMATTED',status='REPLACE')
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open(newunit=statUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
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'.sta',form='FORMATTED',status='REPLACE')
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'.spectralOut',form='UNFORMATTED',status='REPLACE')
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write(resUnit) 'load', trim(loadCaseFile)
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write(resUnit) 'workingdir', trim(getSolverWorkingDirectoryName())
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write(resUnit) 'geometry', trim(geometryFile)
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@ -306,16 +300,18 @@ program DAMASK_spectral_Driver
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write(resUnit) 'dimension', geomdim
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write(resUnit) 'materialpoint_sizeResults', materialpoint_sizeResults
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write(resUnit) 'loadcases', size(loadCases)
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write(resUnit) 'frequencies', loadCases%outputfrequency ! one entry per currentLoadCase
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write(resUnit) 'times', loadCases%time ! one entry per currentLoadCase
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write(resUnit) 'frequencies', loadCases%outputfrequency ! one entry per currentLoadCase
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write(resUnit) 'times', loadCases%time ! one entry per currentLoadCase
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write(resUnit) 'logscales', loadCases%logscale
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write(resUnit) 'increments', loadCases%incs ! one entry per currentLoadCase
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write(resUnit) 'startingIncrement', restartInc - 1_pInt ! start with writing out the previous inc
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write(resUnit) 'eoh' ! end of header
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write(resUnit) materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:mesh_NcpElems) ! initial (non-deformed or read-in) results
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write(resUnit) 'increments', loadCases%incs ! one entry per currentLoadCase
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write(resUnit) 'startingIncrement', restartInc - 1_pInt ! start with writing out the previous inc
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write(resUnit) 'eoh' ! end of header
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write(resUnit) materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:mesh_NcpElems) ! initial (non-deformed or read-in) results
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open(newunit=statUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
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'.sta',form='FORMATTED',status='REPLACE')
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write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded'
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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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! loopping over loadcases
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loadCaseLooping: do currentLoadCase = 1_pInt, size(loadCases)
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@ -344,10 +340,10 @@ program DAMASK_spectral_Driver
|
|||
timeinc = loadCases(1)%time*(2.0_pReal**real(inc-1_pInt-loadCases(1)%incs ,pReal))
|
||||
endif
|
||||
else ! not-1st currentLoadCase of logarithmic scale
|
||||
timeinc = time0 *( (1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc,pReal)/&
|
||||
real(loadCases(currentLoadCase)%incs ,pReal))&
|
||||
-(1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( (inc-1_pInt),pReal)/&
|
||||
real(loadCases(currentLoadCase)%incs ,pReal)) )
|
||||
timeinc = time0 *( (1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc,pReal)/&
|
||||
real(loadCases(currentLoadCase)%incs ,pReal))&
|
||||
-(1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( (inc-1_pInt),pReal)/&
|
||||
real(loadCases(currentLoadCase)%incs ,pReal)) )
|
||||
endif
|
||||
endif
|
||||
timeinc = timeinc / 2.0_pReal**real(cutBackLevel,pReal)
|
||||
|
|
@ -364,12 +360,12 @@ program DAMASK_spectral_Driver
|
|||
',a,'//IO_intOut(inc)//',a,'//IO_intOut(loadCases(currentLoadCase)%incs)//&
|
||||
',a,'//IO_intOut(stepFraction)//',a,'//IO_intOut(2_pInt**cutBackLevel)//&
|
||||
',a,'//IO_intOut(currentLoadCase)//',a,'//IO_intOut(size(loadCases))//')') &
|
||||
'Time', time, &
|
||||
's: Increment ', inc, '/', loadCases(currentLoadCase)%incs,&
|
||||
'-', stepFraction, '/', 2_pInt**cutBackLevel,&
|
||||
' of load case ', currentLoadCase,'/',size(loadCases)
|
||||
'Time', time, &
|
||||
's: Increment ', inc, '/', loadCases(currentLoadCase)%incs,&
|
||||
'-', stepFraction, '/', 2_pInt**cutBackLevel,&
|
||||
' of load case ', currentLoadCase,'/',size(loadCases)
|
||||
write(incInfo,'(a,'//IO_intOut(totalIncsCounter)//',a,'//IO_intOut(sum(loadCases(:)%incs))//&
|
||||
',a,'//IO_intOut(stepFraction)//',a,'//IO_intOut(2_pInt**cutBackLevel)//')') &
|
||||
',a,'//IO_intOut(stepFraction)//',a,'//IO_intOut(2_pInt**cutBackLevel)//')') &
|
||||
'Inc. ',totalIncsCounter,'/',sum(loadCases(:)%incs),&
|
||||
'-',stepFraction, '/', 2_pInt**cutBackLevel
|
||||
select case(myspectralsolver)
|
||||
|
|
@ -435,8 +431,13 @@ program DAMASK_spectral_Driver
|
|||
write(6,'(1/,a)') '... writing results to file ......................................'
|
||||
write(resUnit) materialpoint_results ! write result to file
|
||||
endif
|
||||
if( loadCases(currentLoadCase)%restartFrequency > 0_pInt .and. &
|
||||
mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! at frequency of writing restart information set restart parameter for FEsolving (first call to CPFEM_general will write ToDo: true?)
|
||||
restartWrite = .true.
|
||||
endif
|
||||
else !just time forwarding
|
||||
time = time + timeinc
|
||||
time = time + timeinc
|
||||
guessmode = 1.0_pReal
|
||||
endif ! end calculation/forwarding
|
||||
|
||||
enddo incLooping
|
||||
|
|
|
|||
|
|
@ -208,7 +208,7 @@ subroutine AL_init()
|
|||
close (777)
|
||||
endif
|
||||
|
||||
call Utilities_updateGamma(C)
|
||||
call Utilities_updateGamma(C,.True.)
|
||||
C_scale = C
|
||||
S_scale = math_invSym3333(C)
|
||||
|
||||
|
|
@ -328,7 +328,7 @@ else
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! update stiffness (and gamma operator)
|
||||
S = Utilities_maskedCompliance(rotation_BC,P_BC%maskLogical,C)
|
||||
if (update_gamma) call Utilities_updateGamma(C)
|
||||
if (update_gamma) call Utilities_updateGamma(C,restartWrite)
|
||||
|
||||
ForwardData = .True.
|
||||
mask_stress = P_BC%maskFloat
|
||||
|
|
|
|||
|
|
@ -33,7 +33,8 @@ module DAMASK_spectral_SolverBasic
|
|||
! stress, stiffness and compliance average etc.
|
||||
real(pReal), private, dimension(3,3) :: &
|
||||
F_aim = math_I3, &
|
||||
F_aim_lastInc = math_I3
|
||||
F_aim_lastInc = math_I3, &
|
||||
F_aimDot = 0.0_pReal
|
||||
real(pReal), private,dimension(3,3,3,3) :: &
|
||||
C = 0.0_pReal, C_lastInc = 0.0_pReal
|
||||
|
||||
|
|
@ -69,8 +70,9 @@ subroutine basic_init()
|
|||
implicit none
|
||||
integer(pInt) :: i,j,k
|
||||
real(pReal), dimension(3,3) :: temp33_Real
|
||||
real(pReal), dimension(3,3,3,3) :: temp3333_Real
|
||||
|
||||
|
||||
|
||||
call Utilities_Init()
|
||||
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverBasic init -+>>>'
|
||||
write(6,'(a)') ' $Id$'
|
||||
|
|
@ -81,8 +83,8 @@ subroutine basic_init()
|
|||
allocate (F_lastInc ( 3,3,res(1), res(2),res(3)), source = 0.0_pReal)
|
||||
allocate (Fdot ( 3,3,res(1), res(2),res(3)), source = 0.0_pReal)
|
||||
allocate (P ( 3,3,res(1), 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 = 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 = 0.0_pReal)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! init fields
|
||||
|
|
@ -93,6 +95,7 @@ subroutine basic_init()
|
|||
coordinates(i,j,k,1:3) = geomdim/real(res,pReal)*real([i,j,k],pReal) &
|
||||
- geomdim/real(2_pInt*res,pReal)
|
||||
enddo; enddo; enddo
|
||||
|
||||
elseif (restartInc > 1_pInt) then ! using old values from file
|
||||
if (debugRestart) write(6,'(a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
||||
'Reading values of increment', restartInc - 1_pInt, 'from file'
|
||||
|
|
@ -110,26 +113,32 @@ subroutine basic_init()
|
|||
call IO_read_jobBinaryFile(777,'F_aim_lastInc',trim(getSolverJobName()),size(F_aim_lastInc))
|
||||
read (777,rec=1) F_aim_lastInc
|
||||
close (777)
|
||||
|
||||
call IO_read_jobBinaryFile(777,'C_lastInc',trim(getSolverJobName()),size(C_lastInc))
|
||||
read (777,rec=1) C_lastInc
|
||||
close (777)
|
||||
call IO_read_jobBinaryFile(777,'C',trim(getSolverJobName()),size(C))
|
||||
read (777,rec=1) C
|
||||
close (777)
|
||||
call IO_read_jobBinaryFile(777,'F_aimDot',trim(getSolverJobName()),size(f_aimDot))
|
||||
read (777,rec=1) f_aimDot
|
||||
close (777)
|
||||
call IO_read_jobBinaryFile(777,'C_ref',trim(getSolverJobName()),size(temp3333_Real))
|
||||
read (777,rec=1) temp3333_Real
|
||||
close (777)
|
||||
coordinates = 0.0 ! change it later!!!
|
||||
endif
|
||||
!no rotation bc call deformed_fft(res,geomdim,math_rotate_backward33(F_aim,rotation_BC),1.0_pReal,F_lastInc,coordinates)
|
||||
call Utilities_constitutiveResponse(coordinates,F,F_lastInc,temperature,0.0_pReal,&
|
||||
call Utilities_constitutiveResponse(coordinates,F,F,temperature,0.0_pReal,&
|
||||
P,C,temp33_Real,.false.,math_I3)
|
||||
!no rotation bc call deformed_fft(res,geomdim,math_rotate_backward33(F_aim,rotation_BC),1.0_pReal,F_lastInc,coordinates)
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! reference stiffness
|
||||
if (restartInc == 1_pInt) then
|
||||
call IO_write_jobBinaryFile(777,'C_ref',size(C))
|
||||
write (777,rec=1) C
|
||||
close(777)
|
||||
elseif (restartInc > 1_pInt) then
|
||||
call IO_read_jobBinaryFile(777,'C_ref',trim(getSolverJobName()),size(C))
|
||||
read (777,rec=1) C
|
||||
close (777)
|
||||
endif
|
||||
if (restartInc == 1_pInt) then ! use initial stiffness as reference stiffness
|
||||
temp3333_Real = C
|
||||
endif
|
||||
|
||||
call Utilities_updateGamma(C)
|
||||
call Utilities_updateGamma(temp3333_Real,.True.)
|
||||
|
||||
end subroutine basic_init
|
||||
|
||||
|
|
@ -173,8 +182,11 @@ type(tSolutionState) function &
|
|||
|
||||
use FEsolving, only: &
|
||||
restartWrite, &
|
||||
restartRead, &
|
||||
terminallyIll
|
||||
use DAMASK_spectral_Utilities, only: cutBack
|
||||
use DAMASK_spectral_Utilities, only: &
|
||||
cutBack
|
||||
|
||||
implicit none
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! input data for solution
|
||||
|
|
@ -184,8 +196,7 @@ type(tSolutionState) function &
|
|||
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
||||
|
||||
real(pReal), dimension(3,3,3,3) :: S
|
||||
real(pReal), dimension(3,3), save :: f_aimDot = 0.0_pReal
|
||||
real(pReal), dimension(3,3) :: F_aim_lab, &
|
||||
real(pReal), dimension(3,3) :: F_aim_lab, &
|
||||
F_aim_lab_lastIter, &
|
||||
P_av
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -200,21 +211,35 @@ type(tSolutionState) function &
|
|||
! restart information for spectral solver
|
||||
if (restartWrite) then
|
||||
write(6,'(a)') 'writing converged results for restart'
|
||||
call IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(F_lastInc))
|
||||
write (777,rec=1) F_LastInc
|
||||
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,'convergedSpectralDefgrad_lastInc',size(F_lastInc)) ! writing F_lastInc field to file
|
||||
write (777,rec=1) F_lastInc
|
||||
close (777)
|
||||
call IO_write_jobBinaryFile(777,'F_aim',size(F_aim))
|
||||
write (777,rec=1) F_aim
|
||||
close(777)
|
||||
call IO_write_jobBinaryFile(777,'F_aim_lastInc',size(F_aim_lastInc))
|
||||
write (777,rec=1) F_aim_lastInc
|
||||
close(777)
|
||||
call IO_write_jobBinaryFile(777,'C',size(C))
|
||||
write (777,rec=1) C
|
||||
close(777)
|
||||
call IO_write_jobBinaryFile(777,'C_lastInc',size(C_lastInc))
|
||||
write (777,rec=1) C_lastInc
|
||||
close(777)
|
||||
call IO_write_jobBinaryFile(777,'F_aimDot',size(f_aimDot))
|
||||
write (777,rec=1) f_aimDot
|
||||
close(777)
|
||||
endif
|
||||
|
||||
|
||||
if ( cutBack) then
|
||||
F_aim = F_aim_lastInc
|
||||
F = F_lastInc
|
||||
C = C_lastInc
|
||||
else
|
||||
C_lastInc = C
|
||||
F_aim = F_aim_lastInc
|
||||
F = F_lastInc
|
||||
C = C_lastInc
|
||||
else
|
||||
C_lastInc = C
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate rate for aim
|
||||
if (F_BC%myType=='l') then ! calculate f_aimDot from given L and current F
|
||||
|
|
@ -225,7 +250,8 @@ else
|
|||
f_aimDot = f_aimDot &
|
||||
+ guessmode * P_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old
|
||||
F_aim_lastInc = F_aim
|
||||
|
||||
print*, 'F_aimDot', f_aimDot
|
||||
print*, 'guessmode', guessmode
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! update coordinates and rate and forward last inc
|
||||
call deformed_fft(res,geomdim,math_rotate_backward33(F_aim_lastInc,rotation_BC), &
|
||||
|
|
@ -235,15 +261,15 @@ else
|
|||
F_lastInc = F
|
||||
endif
|
||||
F_aim = F_aim + f_aimDot * timeinc
|
||||
F = Utilities_forwardField(timeinc,F_aim,F_lastInc,Fdot) !I think F aim should be rotated here
|
||||
F = Utilities_forwardField(timeinc,F_aim,F_lastInc,Fdot) !I think F aim should be rotated here
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! update stiffness (and gamma operator)
|
||||
S = Utilities_maskedCompliance(rotation_BC,P_BC%maskLogical,C)
|
||||
|
||||
if (update_gamma) call Utilities_updateGamma(C)
|
||||
if (update_gamma) call Utilities_updateGamma(C,restartWrite)
|
||||
|
||||
ForwardData = .True.
|
||||
if (.not. restartRead) ForwardData = .True.
|
||||
iter = 0_pInt
|
||||
convergenceLoop: do while(iter < itmax)
|
||||
|
||||
|
|
|
|||
|
|
@ -191,7 +191,7 @@ subroutine BasicPETSC_init()
|
|||
close (777)
|
||||
endif
|
||||
|
||||
call Utilities_updateGamma(C)
|
||||
call Utilities_updateGamma(C,.True.)
|
||||
|
||||
end subroutine BasicPETSC_init
|
||||
|
||||
|
|
@ -294,7 +294,7 @@ else
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! update stiffness (and gamma operator)
|
||||
S = Utilities_maskedCompliance(rotation_BC,P_BC%maskLogical,C)
|
||||
if (update_gamma) call Utilities_updateGamma(C)
|
||||
if (update_gamma) call Utilities_updateGamma(C,restartWrite)
|
||||
|
||||
ForwardData = .True.
|
||||
mask_stress = P_BC%maskFloat
|
||||
|
|
|
|||
File diff suppressed because it is too large
Load Diff
Loading…
Reference in New Issue