added and rearranged error messages, polished output and simplified calculation of f depending on fdot or L
guessing along former trajectory is now on per default, 'guessreset' and 'dropguessing' switch it off.
This commit is contained in:
Martin Diehl
parent
56340fd487
commit
09ba92c26e
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@ -91,9 +91,9 @@ program DAMASK_spectral
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real(pReal), dimension(3,3) :: ones, zeroes, temp33_Real, damper,&
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pstress, pstress_av, cstress_av, defgrad_av,&
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defgradAim, defgradAimOld, defgradAimCorr, defgradAimCorrPrev,&
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mask_stress, mask_defgrad
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mask_stress, mask_defgrad, deltaF
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real(pReal), dimension(3,3,3,3) :: dPdF, c0, s0, c0_temp
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real(pReal), dimension(9,9) :: s099 ! compliance in matrix notation
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! real(pReal), dimension(9,9) :: s099 ! compliance in matrix notation
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real(pReal), dimension(6) :: cstress ! cauchy stress in Mandel notation
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real(pReal), dimension(6,6) :: dsde, c066, s066 ! Mandel notation of 4th order tensors
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real(pReal), dimension(:,:,:,:,:), allocatable :: workfft, defgrad, defgradold
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@ -145,7 +145,7 @@ program DAMASK_spectral
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print '(a,/,a)', 'Workingdir: ',trim(getSolverWorkingDirectoryName())
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print '(a,/,a)', 'SolverJobName: ',trim(getSolverJobName())
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if (.not. IO_open_file(unit,path)) call IO_error(45,ext_msg = path)
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if (.not. IO_open_file(unit,path)) call IO_error(30,ext_msg = path)
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rewind(unit)
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do
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@ -183,89 +183,94 @@ if ((N_l + N_Fdot /= N_n).or.(N_n /= N_t)) & ! sanity check
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allocate (bc_steps(N_Loadcases)); bc_steps = 0_pInt
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allocate (bc_logscale(N_Loadcases)); bc_logscale = .false.
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allocate (bc_frequency(N_Loadcases)); bc_frequency = 1_pInt
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allocate (followFormeTrajectory(N_Loadcases)); followFormeTrajectory = .false.
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allocate (followFormeTrajectory(N_Loadcases)); followFormeTrajectory = .true.
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rewind(unit)
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i = 0_pInt
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loadcase = 0_pInt
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do
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read(unit,'(a1024)',END = 200) line
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if (IO_isBlank(line)) cycle ! skip empty lines
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i = i + 1
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if (IO_isBlank(line)) cycle ! skip empty lines
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loadcase = loadcase + 1
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posInput = IO_stringPos(line,maxNchunksInput)
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do j = 1,maxNchunksInput,2
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select case (IO_lc(IO_stringValue(line,posInput,j)))
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case('l','velocitygrad')
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velGradApplied(i) = .true.
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case('fdot') ! assign values for the deformation BC matrix (in case of given fdot)
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valuevector = 0.0_pReal
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forall (k = 1:9) bc_maskvector(k) = IO_stringValue(line,posInput,j+k) /= '*'
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do k = 1,9
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if (bc_maskvector(k)) valuevector(k) = IO_floatValue(line,posInput,j+k) ! assign values for the velocity gradient matrix
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if (bc_maskvector(k)) valuevector(k) = IO_floatValue(line,posInput,j+k)
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enddo
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bc_mask(:,:,1,i) = transpose(reshape(bc_maskvector,(/3,3/)))
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bc_deformation(:,:,i) = math_transpose3x3(reshape(valuevector,(/3,3/)))
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case('fdot')
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velGradApplied(i) = .false.
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bc_mask(:,:,1,loadcase) = transpose(reshape(bc_maskvector,(/3,3/)))
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bc_deformation(:,:,loadcase) = math_transpose3x3(reshape(valuevector,(/3,3/)))
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case('l','velocitygrad') ! assign values for the deformation BC matrix (in case of given L)
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velGradApplied(loadcase) = .true. ! in case of given L, set flag to true
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valuevector = 0.0_pReal
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forall (k = 1:9) bc_maskvector(k) = IO_stringValue(line,posInput,j+k) /= '*'
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do k = 1,9
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if (bc_maskvector(k)) valuevector(k) = IO_floatValue(line,posInput,j+k) ! assign values for the matrix of time derivative of defgrad
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if (bc_maskvector(k)) valuevector(k) = IO_floatValue(line,posInput,j+k)
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enddo
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bc_mask(:,:,1,i) = transpose(reshape(bc_maskvector,(/3,3/)))
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bc_deformation(:,:,i) = math_transpose3x3(reshape(valuevector,(/3,3/)))
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bc_mask(:,:,1,loadcase) = transpose(reshape(bc_maskvector,(/3,3/)))
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bc_deformation(:,:,loadcase) = math_transpose3x3(reshape(valuevector,(/3,3/)))
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case('s', 'stress', 'pk1', 'piolakirchhoff')
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valuevector = 0.0_pReal
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forall (k = 1:9) bc_maskvector(k) = IO_stringValue(line,posInput,j+k) /= '*'
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do k = 1,9
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if (bc_maskvector(k)) valuevector(k) = IO_floatValue(line,posInput,j+k) ! assign values for the bc_stress matrix
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enddo
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bc_mask(:,:,2,i) = transpose(reshape(bc_maskvector,(/3,3/)))
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bc_stress(:,:,i) = math_transpose3x3(reshape(valuevector,(/3,3/)))
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bc_mask(:,:,2,loadcase) = transpose(reshape(bc_maskvector,(/3,3/)))
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bc_stress(:,:,loadcase) = math_transpose3x3(reshape(valuevector,(/3,3/)))
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case('t','time','delta') ! increment time
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bc_timeIncrement(i) = IO_floatValue(line,posInput,j+1)
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bc_timeIncrement(loadcase) = IO_floatValue(line,posInput,j+1)
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case('n','incs','increments','steps') ! bc_steps
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bc_steps(i) = IO_intValue(line,posInput,j+1)
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bc_steps(loadcase) = IO_intValue(line,posInput,j+1)
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case('logincs','logsteps') ! true, if log scale
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bc_steps(i) = IO_intValue(line,posInput,j+1)
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bc_logscale(i) = .true.
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bc_steps(loadcase) = IO_intValue(line,posInput,j+1)
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bc_logscale(loadcase) = .true.
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case('f','freq','frequency') ! frequency of result writings
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bc_frequency(i) = IO_intValue(line,posInput,j+1)
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case('continue','keepguessing','followtrajectory','followformertrajectory')
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followFormeTrajectory(i) = .true. ! continue to predict deformation along former trajectory
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bc_frequency(loadcase) = IO_intValue(line,posInput,j+1)
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case('guessreset','dropguessing')
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followFormeTrajectory(loadcase) = .false. ! do not continue to predict deformation along former trajectory
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end select
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enddo; enddo
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200 close(unit)
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if (followFormeTrajectory(1)) then
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call IO_warning(33,loadcase) ! cannot guess along trajectory for first step of first loadcase
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followFormeTrajectory(1) = .false.
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endif
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do i = 1, N_Loadcases ! consistency checks
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if (any(bc_mask(:,:,1,i) == bc_mask(:,:,2,i))) call IO_error(46,i) ! exclusive or masking only
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if (velGradApplied(i) == .true.) then
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do loadcase = 1, N_Loadcases ! consistency checks and output
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print *, '------------------------------------------------------'
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print '(a,i5)', 'Loadcase:', loadcase
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if (.not. followFormeTrajectory(loadcase)) &
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print '(a)', 'drop guessing along trajectory'
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if (any(bc_mask(:,:,1,loadcase) == bc_mask(:,:,2,loadcase)))&
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call IO_error(31,loadcase) ! exclusive or masking only
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if (velGradApplied(loadcase)) then
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do j = 1, 3
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if (any(bc_mask(j,:,1,i) == .true.) .and. any(bc_mask(j,:,1,i) == .false.)) &
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call IO_error(46,i) ! ToDo: change message
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if (any(bc_mask(j,:,1,loadcase) == .true.) .and.&
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any(bc_mask(j,:,1,loadcase) == .false.)) call IO_error(32,loadcase) ! each line should be either fully or not at all defined
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enddo
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endif
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if (followFormeTrajectory(1) == .true.) call IO_error(47,i) ! ToDo: Change message
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if (bc_timeIncrement(i) < 0.0_pReal) call IO_error(47,i) ! negative time increment
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if (bc_steps(i) < 1_pInt) call IO_error(48,i) ! non-positive increment count
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if (bc_frequency(i) < 1_pInt) call IO_error(49,i) ! non-positive result frequency
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print '(a,i5)', 'Loadcase:', i
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if (velGradApplied(i) == .true.) then
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print '(a,/,3(3(f12.6,x)/))','L:' ,math_transpose3x3(bc_deformation(:,:,i))
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print '(a,/,3(3(l,x)/))', 'bc_mask for L:',transpose(bc_mask(:,:,1,i))
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print '(a,/,3(3(f12.6,x)/))','L:' ,math_transpose3x3(bc_deformation(:,:,loadcase))
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print '(a,/,3(3(l,x)/))', 'bc_mask for L:',transpose(bc_mask(:,:,1,loadcase))
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else
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print '(a,/,3(3(f12.6,x)/))','Fdot:' ,math_transpose3x3(bc_deformation(:,:,i))
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print '(a,/,3(3(l,x)/))', 'bc_mask for Fdot:',transpose(bc_mask(:,:,1,i))
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print '(a,/,3(3(f12.6,x)/))','Fdot:' ,math_transpose3x3(bc_deformation(:,:,loadcase))
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print '(a,/,3(3(l,x)/))', 'bc_mask for Fdot:',transpose(bc_mask(:,:,1,loadcase))
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endif
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print '(a,/,3(3(f12.6,x)/))','bc_stress:',math_transpose3x3(bc_stress(:,:,i))
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print '(a,/,3(3(l,x)/))', 'bc_mask for stress:' ,transpose(bc_mask(:,:,2,i))
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print '(a,f12.6)','time: ',bc_timeIncrement(i)
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print '(a,i6)','incs: ',bc_steps(i)
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print '(a,i6)','freq: ',bc_frequency(i)
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print *, ''
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print '(a,/,3(3(f12.6,x)/))','bc_stress:',math_transpose3x3(bc_stress(:,:,loadcase))
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print '(a,/,3(3(l,x)/))', 'bc_mask for stress:' ,transpose(bc_mask(:,:,2,loadcase))
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if (bc_timeIncrement(loadcase) < 0.0_pReal) call IO_error(34,loadcase) ! negative time increment
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print '(a,f12.6)','time: ',bc_timeIncrement(loadcase)
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if (bc_steps(loadcase) < 1_pInt) call IO_error(35,loadcase) ! non-positive increment count
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print '(a,i6)','incs: ',bc_steps(loadcase)
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if (bc_frequency(loadcase) < 1_pInt) call IO_error(36,loadcase) ! non-positive result frequency
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print '(a,i6)','freq: ',bc_frequency(loadcase)
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enddo
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!read header of geom file to get the information needed before the complete geom file is intepretated by mesh.f90
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path = getModelName()
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print *, '------------------------------------------------------'
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print '(a,a)', 'GeomName: ',trim(path)
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if (.not. IO_open_file(unit,trim(path)//InputFileExtension)) call IO_error(101,ext_msg = trim(path)//InputFileExtension)
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@ -417,7 +422,7 @@ if ((N_l + N_Fdot /= N_n).or.(N_n /= N_t)) & ! sanity check
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!*************************************************************
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time0 = time ! loadcase start time
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if (followFormeTrajectory(loadcase) == .true.) then
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if (followFormeTrajectory(loadcase)) 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 step
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@ -426,6 +431,7 @@ if ((N_l + N_Fdot /= N_n).or.(N_n /= N_t)) & ! sanity check
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mask_defgrad = merge(ones,zeroes,bc_mask(:,:,1,loadcase))
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mask_stress = merge(ones,zeroes,bc_mask(:,:,2,loadcase))
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damper = ones/10
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deltaF = bc_deformation(:,:,loadcase) ! only valid for given fDot. will be overwritten later in case L is given
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!*************************************************************
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! loop oper steps defined in input file for current loadcase
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do step = 1, bc_steps(loadcase)
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@ -448,32 +454,25 @@ if ((N_l + N_Fdot /= N_n).or.(N_n /= N_t)) & ! sanity check
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time = time + timeinc
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! update macroscopic deformation gradient (defgrad BC)
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temp33_Real = defgradAim
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if (velGradApplied(loadcase) == .true.) then ! calculate from given L and current F
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defgradAim = defgradAim &
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+ guessmode * mask_stress * (defgradAim - defgradAimOld) &
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+ math_mul33x33(bc_deformation(:,:,loadcase), defgradAim)*timeinc
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else ! calculate from given Fdot and current F
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defgradAim = defgradAim &
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+ guessmode * mask_stress * (defgradAim - defgradAimOld) &
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+ mask_defgrad * bc_deformation(:,:,loadcase) * timeinc
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endif
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if (velGradApplied(loadcase)) & ! calculate deltaF from given L and current F
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deltaF = math_mul33x33(bc_deformation(:,:,loadcase), defgradAim)
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temp33_Real = defgradAim
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defgradAim = defgradAim &
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+ guessmode * mask_stress * (defgradAim - defgradAimOld) &
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+ mask_defgrad * deltaF * timeinc
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defgradAimOld = temp33_Real
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! update local deformation gradient
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do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
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if (velGradApplied(loadcase) == .true.) then ! using velocity gradient to calculate new deformation gradient (if not guessing)
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temp33_Real = defgrad(i,j,k,:,:)
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defgrad(i,j,k,:,:) = defgrad(i,j,k,:,:) & ! decide if guessing along former trajectory or apply homogeneous addon
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temp33_Real = defgrad(i,j,k,:,:)
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if (velGradApplied(loadcase)) & ! using velocity gradient to calculate new deformation gradient (if not guessing)
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deltaF = math_mul33x33(bc_deformation(:,:,loadcase),defgradold(i,j,k,:,:))
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defgrad(i,j,k,:,:) = defgrad(i,j,k,:,:) & ! decide if guessing along former trajectory or apply homogeneous addon (addon only for applied deformation)
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+ guessmode * (defgrad(i,j,k,:,:) - defgradold(i,j,k,:,:))&
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+ (1.0_pReal-guessmode) * math_mul33x33(bc_deformation(:,:,loadcase),defgradold(i,j,k,:,:))*timeinc
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defgradold(i,j,k,:,:) = temp33_Real
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else ! using time derivative of deformation gradient to calculate new deformation gradient (if not guessing)
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temp33_Real = defgrad(i,j,k,:,:)
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defgrad(i,j,k,:,:) = defgrad(i,j,k,:,:) & ! decide if guessing along former trajectory or apply homogeneous addon
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+ guessmode * (defgrad(i,j,k,:,:) - defgradold(i,j,k,:,:))&
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+ (1.0_pReal-guessmode) * bc_deformation(:,:,loadcase) * timeinc
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defgradold(i,j,k,:,:) = temp33_Real
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endif
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+ (1.0_pReal-guessmode) * mask_defgrad * deltaF *timeinc
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defgradold(i,j,k,:,:) = temp33_Real
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enddo; enddo; enddo
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guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase
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@ -486,7 +485,7 @@ if ((N_l + N_Fdot /= N_n).or.(N_n /= N_t)) & ! sanity check
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CPFEM_mode = 1_pInt ! winding forward
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iter = 0_pInt
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err_div= 2.0_pReal * err_div_tol ! go into loop
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err_div= 2.0_pReal * err_div_tol ! go into loop
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defgradAimCorr = 0.0_pReal ! reset damping calculation
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damper = damper * 0.9_pReal
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24
code/IO.f90
24
code/IO.f90
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@ -1154,6 +1154,18 @@ endfunction
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character(len=120) msg
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select case (ID)
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case (30)
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msg = 'error opening spectral loadcase'
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case (31)
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msg = 'mask consistency violated in spectral loadcase'
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case (32)
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msg = 'ill defined L (each line should be either fully or not at all defined) in spectral loadcase'
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case (34)
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msg = 'negative time increment in spectral loadcase'
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case (35)
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msg = 'Non-positive increments in spectral loadcase'
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case (36)
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msg = 'Non-positive result frequency in spectral loadcase'
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case (40)
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msg = 'path rectification error'
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case (41)
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@ -1164,16 +1176,6 @@ endfunction
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msg = 'resolution error in spectral mesh'
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case (44)
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msg = 'dimension error in spectral mesh'
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case (45)
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msg = 'error opening spectral loadcase'
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case (46)
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msg = 'mask consistency violated in spectral loadcase'
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case (47)
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msg = 'negative time increment in spectral loadcase'
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case (48)
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msg = 'Non-positive increments in spectral loadcase'
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case (49)
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msg = 'Non-positive result frequency in spectral loadcase'
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case (50)
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msg = 'Error writing constitutive output description'
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case (100)
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@ -1417,6 +1419,8 @@ endfunction
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character(len=80) msg
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select case (ID)
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case (33)
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msg = 'cannot guess along trajectory for first step of first loadcase'
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case (101)
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msg = '+ crystallite debugging off... +'
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case (600)
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