merged calcmodes, i.e. equilibrium and fulfilling of stress BC is done in one step,
made convergence independent of size and resolution, polishing output in DAMASK_spectral.f90 added function to compute eigenvalues without eigenvectors and function to convert a 3x3 logical to a 9 vector in math.f90 removed obsolete variable in numerics.f90
This commit is contained in:
Martin Diehl
parent
380a536b45
commit
4fb1cb8f87
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@ -1,7 +1,7 @@
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! Copyright 2011 Max-Planck-Institut für Eisenforschung GmbH
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! Copyright 2011 Max-Planck-Institut fuer Eisenforschung GmbH
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!
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! This file is part of DAMASK,
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! the Düsseldorf Advanced MAterial Simulation Kit.
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! the Duesseldorf Advanced MAterial Simulation Kit.
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!
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! DAMASK is free software: you can redistribute it and/or modify
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! it under the terms of the GNU General Public License as published by
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@ -49,8 +49,8 @@ program DAMASK_spectral
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use math
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use mesh, only: mesh_ipCenterOfGravity
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use CPFEM, only: CPFEM_general, CPFEM_initAll
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use numerics, only: err_div_tol, err_stress_tol, err_stress_tolrel, err_defgrad_tol,&
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relevantStrain,itmax, memory_efficient, DAMASK_NumThreadsInt
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use numerics, only: err_div_tol, err_stress_tol, err_stress_tolrel,&
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relevantStrain, itmax, memory_efficient, DAMASK_NumThreadsInt
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use homogenization, only: materialpoint_sizeResults, materialpoint_results
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!$ use OMP_LIB ! the openMP function library
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@ -66,7 +66,6 @@ program DAMASK_spectral
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integer(pInt) unit, N_l, N_s, N_t, N_n, N_freq, N_Fdot, N_temperature ! numbers of identifiers
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character(len=1024) path, line
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logical gotResolution,gotDimension,gotHomogenization
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logical, dimension(9) :: bc_maskvector
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! variables storing information from loadcase file
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real(pReal) time, time0, timeinc ! elapsed time, begin of interval, time interval
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@ -81,49 +80,52 @@ program DAMASK_spectral
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logical, dimension(:), allocatable :: followFormerTrajectory,& ! follow trajectory of former loadcase
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velGradApplied ! decide wether velocity gradient or fdot is given
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logical, dimension(:,:,:,:), allocatable :: bc_mask ! mask of boundary conditions
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logical, dimension(:,:,:), allocatable :: bc_maskvector ! linear mask of boundary conditions
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! variables storing information from geom file
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real(pReal) wgt
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real(pReal), dimension(3) :: geomdimension
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integer(pInt) homog
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integer(pInt), dimension(3) :: resolution
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real(pReal), dimension(3) :: geomdimension ! physical dimension of volume element in each direction
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integer(pInt) homog ! homogenization scheme used
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integer(pInt), dimension(3) :: resolution ! resolution (number of Fourier points) in each direction
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! stress etc.
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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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real(pReal), dimension(3,3) :: ones, zeroes, temp33_Real, &
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pstress, pstress_av, defgrad_av,&
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defgradAim, defgradAimOld, defgradAimCorr,&
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mask_stress, mask_defgrad, deltaF
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real(pReal), dimension(3,3,3,3) :: dPdF, c_current, s_current, c0_reference ! ToDo
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real(pReal), dimension(6) :: cstress, stress_res, delta_defgrad ! cauchy stress, residuum_stress, change of defgrad in Mandel notation
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real(pReal), dimension(6,6) :: dsde, c_current66, s_current66 ! Mandel notation of 4th order tensors
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real(pReal), dimension(9,9) :: s_current99, c_current99
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real(pReal), dimension(3,3,3,3) :: dPdF, c0_reference, c_current, s_prev, c_prev ! stiffness and compliance
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real(pReal), dimension(6) :: cstress ! cauchy stress
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real(pReal), dimension(6,6) :: dsde ! small strain stiffness
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real(pReal), dimension(9,9) :: s_prev99, c_prev99 ! compliance and stiffness in matrix notation
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real(pReal), dimension(:,:,:,:,:), allocatable :: workfft, defgrad, defgradold
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real(pReal), dimension(:,:,:,:), allocatable :: coordinates
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real(pReal), dimension(:,:,:), allocatable :: temperature
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real(pReal), dimension(:,:), allocatable :: s_reduced, c_reduced
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logical, dimension(6) :: mask_stress6
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logical, dimension(9) :: mask_stress9
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integer(pInt) size_reduced
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real(pReal), dimension(:,:), allocatable :: s_reduced, c_reduced ! reduced compliance and stiffness (only for stress BC)
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integer(pInt) size_reduced ! number of stress BCs
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! variables storing information for spectral method
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complex(pReal) :: img
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complex(pReal), dimension(3,3) :: temp33_Complex
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real(pReal), dimension(3,3) :: xiDyad
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real(pReal), dimension(:,:,:,:,:,:,:), allocatable :: gamma_hat
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real(pReal), dimension(:,:,:,:), allocatable :: xi
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integer(pInt), dimension(3) :: k_s
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integer*8, dimension(2) :: plan_fft
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real(pReal), dimension(3,3) :: xiDyad ! product of wave vectors
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real(pReal), dimension(:,:,:,:,:,:,:), allocatable :: gamma_hat ! gamma operator (field) for spectral method
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real(pReal), dimension(:,:,:,:), allocatable :: xi ! wave vector field
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integer(pInt), dimension(3) :: k_s
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integer*8, dimension(2) :: plan_fft ! plans for fftw (forward and backward)
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! loop variables, convergence etc.
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real(pReal) guessmode, err_div, err_stress, err_defgrad, p_hat_avg
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real(pReal) guessmode, err_div, err_stress, p_hat_avg
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integer(pInt) i, j, k, l, m, n, p
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integer(pInt) loadcase, ielem, iter, calcmode, CPFEM_mode, ierr, not_converged_counter
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integer(pInt) loadcase, ielem, iter, CPFEM_mode, ierr, not_converged_counter
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logical errmatinv
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!Initializing
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!$ call omp_set_num_threads(DAMASK_NumThreadsInt) ! set number of threads for parallel execution set by DAMASK_NUM_THREADS
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bc_maskvector = .false.
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print*, ''
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print*, '<<<+- DAMASK_spectral init -+>>>'
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print*, '$Id$'
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print*, ''
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unit = 234_pInt
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ones = 1.0_pReal; zeroes = 0.0_pReal
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img = cmplx(0.0,1.0)
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@ -179,12 +181,13 @@ program DAMASK_spectral
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101 N_Loadcases = N_n
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if ((N_l + N_Fdot /= N_n) .or. (N_n /= N_t)) & ! sanity check
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call IO_error(31,ext_msg = path) ! error message for incomplete inp !ToDo:change message
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call IO_error(31,ext_msg = path) ! error message for incomplete loadcase
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! allocate memory depending on lines in input file
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allocate (bc_deformation(3,3,N_Loadcases)); bc_deformation = 0.0_pReal
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allocate (bc_stress(3,3,N_Loadcases)); bc_stress = 0.0_pReal
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allocate (bc_mask(3,3,2,N_Loadcases)); bc_mask = .false.
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allocate (bc_maskvector(9,2,N_Loadcases)); bc_maskvector = .false.
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allocate (velGradApplied(N_Loadcases)); velGradApplied = .false.
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allocate (bc_timeIncrement(N_Loadcases)); bc_timeIncrement = 0.0_pReal
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allocate (bc_temperature(N_Loadcases)); bc_temperature = 300.0_pReal
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@ -198,36 +201,29 @@ program DAMASK_spectral
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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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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('fdot') ! assign values for the deformation BC matrix (in case of given fdot)
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case('fdot','l','velocitygrad') ! assign values for the deformation BC matrix
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velGradApplied(loadcase) = (IO_lc(IO_stringValue(line,posInput,j)) == 'l' .or. &
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IO_lc(IO_stringValue(line,posInput,j)) == 'velocitygrad') ! 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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forall (k = 1:9) bc_maskvector(k,1,loadcase) = 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)
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if (bc_maskvector(k,1,loadcase)) valuevector(k) = IO_floatValue(line,posInput,j+k)
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enddo
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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)
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enddo
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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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bc_mask(:,:,1,loadcase) = transpose(reshape(bc_maskvector(1:9,1,loadcase),(/3,3/)))
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bc_deformation(:,:,loadcase) = math_plain9to33(valuevector)
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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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forall (k = 1:9) bc_maskvector(k,2,loadcase) = 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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if (bc_maskvector(k,2,loadcase)) 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,loadcase) = transpose(reshape(bc_maskvector,(/3,3/)))
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bc_stress(:,:,loadcase) = math_transpose3x3(reshape(valuevector,(/3,3/)))
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bc_mask(:,:,2,loadcase) = transpose(reshape(bc_maskvector(1:9,2,loadcase),(/3,3/)))
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bc_stress(:,:,loadcase) = math_plain9to33(valuevector)
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case('t','time','delta') ! increment time
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bc_timeIncrement(loadcase) = IO_floatValue(line,posInput,j+1)
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case('temp','temperature') ! starting temperature
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@ -328,16 +324,16 @@ program DAMASK_spectral
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if(mod(resolution(1),2_pInt)/=0_pInt .or.&
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mod(resolution(2),2_pInt)/=0_pInt .or.&
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(mod(resolution(3),2_pInt)/=0_pInt .and. resolution(3)/= 1_pInt)) call IO_error(103)
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print '(a,/,i4,i4,i4)','resolution a b c:', resolution
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print '(a,/,f8.4,f8.5,f8.5)','dimension x y z:', geomdimension
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print '(a,/,i5,i5,i5)','resolution a b c:', resolution
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print '(a,/,f12.5,f12.5,f12.5)','dimension x y z:', geomdimension
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print '(a,i4)','homogenization: ',homog
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allocate (defgrad ( resolution(1),resolution(2),resolution(3),3,3)); defgrad = 0.0_pReal
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allocate (defgradold ( resolution(1),resolution(2),resolution(3),3,3)); defgradold = 0.0_pReal
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allocate (coordinates(3,resolution(1),resolution(2),resolution(3))); coordinates = 0.0_pReal
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allocate (temperature( resolution(1),resolution(2),resolution(3))); temperature = bc_temperature(1) ! start out isothermally
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allocate (xi (3,resolution(1)/2+1,resolution(2),resolution(3))); xi =0.0_pReal
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allocate (xi (3,resolution(1)/2+1,resolution(2),resolution(3))); xi =0.0_pReal
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wgt = 1.0_pReal/real(resolution(1)*resolution(2)*resolution(3), pReal)
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defgradAim = math_I3
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@ -357,7 +353,7 @@ program DAMASK_spectral
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c_current = c_current + dPdF
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enddo; enddo; enddo
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c0_reference = c_current * wgt ! linear reference material stiffness
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c_prev = c0_reference
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do k = 1, resolution(3) ! calculation of discrete angular frequencies, ordered as in FFTW (wrap around)
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k_s(3) = k-1
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if(k > resolution(3)/2+1) k_s(3) = k_s(3)-resolution(3)
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@ -370,7 +366,13 @@ program DAMASK_spectral
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if(resolution(3) > 1) xi(3,i,j,k) = real(k_s(3), pReal)/geomdimension(3) ! 3D case
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xi(2,i,j,k) = real(k_s(2), pReal)/geomdimension(2)
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xi(1,i,j,k) = real(k_s(1), pReal)/geomdimension(1)
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enddo; enddo; enddo
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enddo; enddo; enddo
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! remove highest frequencies for calculation of divergence (CAREFULL, they will be used for pre calculatet gamma operator!)
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do k = 1,resolution(3); do j = 1,resolution(2); do i = 1,resolution(1)/2+1
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if(k==resolution(3)/2+1) xi(3,i,j,k)= 0.0_pReal
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if(j==resolution(2)/2+1) xi(2,i,j,k)= 0.0_pReal
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if(i==resolution(1)/2+1) xi(1,i,j,k)= 0.0_pReal
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enddo; enddo; enddo
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if(memory_efficient) then ! allocate just single fourth order tensor
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allocate (gamma_hat(1,1,1,3,3,3,3)); gamma_hat = 0.0_pReal
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@ -437,16 +439,19 @@ program DAMASK_spectral
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!*************************************************************
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time0 = time ! loadcase start time
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if (followFormerTrajectory(loadcase)) then
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if (followFormerTrajectory(loadcase)) then ! continue to guess along former trajectory where applicable
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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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damper = 1.0_pReal
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endif
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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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size_reduced = count(bc_maskvector(1:9,2,loadcase))
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allocate (c_reduced(size_reduced,size_reduced)); c_reduced = 0.0_pReal
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allocate (s_reduced(size_reduced,size_reduced)); s_reduced = 0.0_pReal
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timeinc = bc_timeIncrement(loadcase)/bc_steps(loadcase) ! only valid for given linear time scale. will be overwritten later in case loglinear scale is used
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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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@ -463,17 +468,13 @@ program DAMASK_spectral
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timeinc = time0 * ( ((1.0_pReal+bc_timeIncrement(loadcase)/time0)**(float( step )/(bc_steps(loadcase)))) &
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- ((1.0_pReal+bc_timeIncrement(loadcase)/time0)**(float((step-1))/(bc_steps(loadcase)))) )
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endif
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else ! linear scale
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timeinc = bc_timeIncrement(loadcase)/bc_steps(loadcase)
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endif
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time = time + timeinc
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! update macroscopic deformation gradient (defgrad BC)
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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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!winding forward of deformation aim
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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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@ -483,217 +484,117 @@ program DAMASK_spectral
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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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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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if (velGradApplied(loadcase)) & ! use 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) * mask_defgrad * deltaF *timeinc
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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,:,:))& ! guessing...
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+ (1.0_pReal-guessmode) * mask_defgrad * deltaF *timeinc ! apply the prescribed value where deformation is given if not guessing
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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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guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase
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if (all(bc_mask(:,:,1,loadcase))) then
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calcmode = 1_pInt ! if no stress BC is given (calmode 0 is not needed)
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else
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calcmode = 0_pInt ! start calculation of BC fulfillment
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endif
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CPFEM_mode = 1_pInt ! winding forward
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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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if(size_reduced > 0_pInt) then ! calculate compliance in case stress BC is applied
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c_prev99 = math_Plain3333to99(c_prev)
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k = 0_pInt ! build reduced stiffness
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do n = 1,9
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if(bc_maskvector(n,2,loadcase)) then
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k = k + 1_pInt
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j = 0_pInt
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do m = 1,9
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if(bc_maskvector(m,2,loadcase)) then
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j = j + 1_pInt
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c_reduced(k,j) = c_prev99(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(800)
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s_prev99 = 0.0_pReal ! build full compliance
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k = 0_pInt
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do n = 1,9
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if(bc_maskvector(n,2,loadcase)) then
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k = k + 1_pInt
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j = 0_pInt
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do m = 1,9
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if(bc_maskvector(m,2,loadcase)) then
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j = j + 1_pInt
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s_prev99(n,m) = s_reduced(k,j)
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endif; enddo; endif; enddo
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s_prev = (math_Plain99to3333(s_prev99))
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endif
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!*************************************************************
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! convergence loop
|
||||
do while(iter < itmax .and. &
|
||||
(err_div > err_div_tol .or. &
|
||||
err_stress > err_stress_tol .or. &
|
||||
err_defgrad > err_defgrad_tol))
|
||||
err_stress > err_stress_tol))
|
||||
iter = iter + 1_pInt
|
||||
if (iter == itmax) not_converged_counter = not_converged_counter + 1
|
||||
print*, ' '
|
||||
print '(3(A,I5.5,tr2))', ' Loadcase = ',loadcase, ' Step = ',step, ' Iteration = ',iter
|
||||
cstress_av = 0.0_pReal
|
||||
workfft = 0.0_pReal ! needed because of the padding for FFTW
|
||||
print '(A,/)', '============================================================'
|
||||
print '(3(A,I5.5,tr2)/)', 'Loadcase = ',loadcase, ' Step = ',step, ' Iteration = ',iter
|
||||
workfft = 0.0_pReal ! needed because of the padding for FFTW
|
||||
!*************************************************************
|
||||
print '(A,/)', '== Update Stress Field (Constitutive Evaluation P(F)) =='
|
||||
ielem = 0_pInt
|
||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
||||
ielem = ielem + 1
|
||||
call CPFEM_general(3,& ! collect cycle
|
||||
coordinates(1:3,i,j,k), defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),&
|
||||
temperature(i,j,k),timeinc,ielem,1_pInt,&
|
||||
cstress,dsde, pstress, dPdF)
|
||||
enddo; enddo; enddo
|
||||
|
||||
! adjust defgrad to fulfill BCs
|
||||
select case (calcmode)
|
||||
case (0)
|
||||
print *, 'Update Stress Field (constitutive evaluation P(F))'
|
||||
ielem = 0_pInt
|
||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
||||
ielem = ielem + 1
|
||||
call CPFEM_general(3,& ! collect cycle
|
||||
coordinates(1:3,i,j,k), defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),&
|
||||
temperature(i,j,k),timeinc,ielem,1_pInt,&
|
||||
cstress,dsde, pstress, dPdF)
|
||||
enddo; enddo; enddo
|
||||
|
||||
c_current = 0.0_pReal
|
||||
ielem = 0_pInt
|
||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
||||
ielem = ielem + 1_pInt
|
||||
call CPFEM_general(CPFEM_mode,& ! first element in first iteration retains CPFEM_mode 1,
|
||||
coordinates(1:3,i,j,k),&
|
||||
defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),& ! others get 2 (saves winding forward effort)
|
||||
temperature(i,j,k),timeinc,ielem,1_pInt,&
|
||||
cstress,dsde, pstress, dPdF)
|
||||
CPFEM_mode = 2_pInt
|
||||
workfft(i,j,k,:,:) = pstress ! build up average P-K stress
|
||||
cstress_av = cstress_av + math_mandel6to33(cstress) ! build up average Cauchy stress
|
||||
c_current = c_current + dPdF
|
||||
enddo; enddo; enddo
|
||||
c_current = c_current * wgt
|
||||
cstress_av = cstress_av * wgt
|
||||
do n = 1,3; do m = 1,3
|
||||
pstress_av(m,n) = sum(workfft(1:resolution(1),:,:,m,n)) * wgt
|
||||
defgrad_av(m,n) = sum(defgrad(: ,:,:,m,n)) * wgt
|
||||
enddo; enddo
|
||||
c_current = 0.0_pReal
|
||||
ielem = 0_pInt
|
||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
||||
ielem = ielem + 1_pInt
|
||||
call CPFEM_general(CPFEM_mode,& ! first element in first iteration retains CPFEM_mode 1,
|
||||
coordinates(1:3,i,j,k),&
|
||||
defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),& ! others get 2 (saves winding forward effort)
|
||||
temperature(i,j,k),timeinc,ielem,1_pInt,&
|
||||
cstress,dsde, pstress,dPdF)
|
||||
CPFEM_mode = 2_pInt
|
||||
workfft(i,j,k,:,:) = pstress ! build up average P-K stress
|
||||
c_current = c_current + dPdF
|
||||
enddo; enddo; enddo
|
||||
|
||||
do n = 1,3; do m = 1,3
|
||||
pstress_av(m,n) = sum(workfft(1:resolution(1),:,:,m,n)) * wgt
|
||||
defgrad_av(m,n) = sum(defgrad(: ,:,:,m,n)) * wgt
|
||||
enddo; enddo
|
||||
print '(a,/,3(3(f12.7,x)/))', 'Deformation Gradient:',math_transpose3x3(defgrad_av)
|
||||
print '(a,/,3(3(f12.7,x)/))', 'Piola-Kirchhoff Stress / MPa: ',math_transpose3x3(pstress_av)/1.e6
|
||||
|
||||
err_stress = maxval(abs(mask_stress * (pstress_av - bc_stress(:,:,loadcase))))
|
||||
err_stress_tol = maxval(abs(pstress_av)) * 0.8 * err_stress_tolrel
|
||||
|
||||
call math_invert(9, math_plain3333to99(c_current),s_current99,i,errmatinv)
|
||||
if(errmatinv) then
|
||||
print*, 'using symmetric compliance'
|
||||
pause !maybe we don't need it. Code below is not working
|
||||
!mask_stress6 = math_Plain33to6_logical(bc_mask(:,:,2,loadcase))
|
||||
!if the symmetrized stiffness is not used at all, the allocate terms only needed at the beginning of a load case
|
||||
size_reduced = count(mask_stress6)
|
||||
allocate (c_reduced(size_reduced,size_reduced)); c_reduced = 0.0_pReal
|
||||
allocate (s_reduced(size_reduced,size_reduced)); s_reduced = 0.0_pReal
|
||||
! c_current66 = math_Plain3333to66(c_current)
|
||||
k = 0_pInt
|
||||
do n = 1,6
|
||||
if(mask_stress6(n)) then
|
||||
k = k + 1_pInt
|
||||
j = 0_pInt
|
||||
do m = 1,6
|
||||
if(mask_stress6(m)) then
|
||||
j = j + 1_pInt
|
||||
c_reduced(k,j) = c_current66(n,m)
|
||||
endif
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
call math_invert(size_reduced, c_reduced, s_reduced, i, errmatinv)
|
||||
if(errmatinv) call IO_error(800)
|
||||
s_current66 = 0.0_pReal
|
||||
k = 0_pInt
|
||||
do n = 1,6
|
||||
if(mask_stress6(n)) then
|
||||
k = k + 1_pInt
|
||||
j = 0_pInt
|
||||
do m = 1,6
|
||||
if(mask_stress6(m)) then
|
||||
j = j + 1_pInt
|
||||
s_current66(n,m) = s_reduced(k,j)
|
||||
endif
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
! s_current = math_Plain66to3333(s_current66)
|
||||
else
|
||||
mask_stress9 = reshape(bc_mask(:,:,2,loadcase),(/9/))
|
||||
size_reduced = count(mask_stress9)
|
||||
allocate (c_reduced(size_reduced,size_reduced)); c_reduced = 0.0_pReal
|
||||
allocate (s_reduced(size_reduced,size_reduced)); s_reduced = 0.0_pReal
|
||||
c_current99 = math_Plain3333to99(c_current)
|
||||
k = 0_pInt ! build reduced stiffness
|
||||
do n = 1,9
|
||||
if(mask_stress9(n)) then
|
||||
k = k + 1_pInt
|
||||
j = 0_pInt
|
||||
do m = 1,9
|
||||
if(mask_stress9(m)) then
|
||||
j = j + 1_pInt
|
||||
c_reduced(k,j) = c_current99(n,m)
|
||||
endif; enddo; endif; enddo
|
||||
|
||||
call math_invert(size_reduced, c_reduced, s_reduced, i, errmatinv) ! invert reduced stiffness
|
||||
if(errmatinv) call IO_error(800)
|
||||
|
||||
s_current99 = 0.0_pReal ! build full compliance
|
||||
k = 0_pInt
|
||||
do n = 1,9
|
||||
if(mask_stress9(n)) then
|
||||
k = k + 1_pInt
|
||||
j = 0_pInt
|
||||
do m = 1,9
|
||||
if(mask_stress9(m)) then
|
||||
j = j + 1_pInt
|
||||
s_current99(n,m) = s_reduced(k,j)
|
||||
endif; enddo; endif; enddo
|
||||
s_current = math_Plain99to3333(s_current99)
|
||||
endif
|
||||
|
||||
deallocate(c_reduced)
|
||||
deallocate(s_reduced)
|
||||
print*, 'Correcting deformation gradient to fullfill BCs'
|
||||
|
||||
defgradAimCorr = - math_mul3333xx33(s_current, ((pstress_av - bc_stress(:,:,loadcase)))) ! residual on given stress components
|
||||
defgradAim = defgradAim + defgradAimCorr
|
||||
|
||||
do m = 1,3; do n = 1,3
|
||||
defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + defgradAim(m,n) - defgrad_av(m,n) ! anticipated target minus current state
|
||||
enddo; enddo
|
||||
err_div = 2.0_pReal * err_div_tol
|
||||
err_defgrad = maxval(abs(mask_defgrad * (defgrad_av - defgradAim)))
|
||||
print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient:',math_transpose3x3(defgrad_av)
|
||||
print '(a,/,3(3(f10.4,x)/))', ' Piola-Kirchhoff Stress / MPa: ',math_transpose3x3(pstress_av)/1.e6
|
||||
print '(2(a,E8.2))', ' error stress: ',err_stress, ' Tol. = ', err_stress_tol
|
||||
print '(2(a,E8.2))', ' error deformation gradient: ',err_defgrad,' Tol. = ', err_defgrad_tol
|
||||
if(err_stress < err_stress_tol) then
|
||||
calcmode = 1_pInt
|
||||
endif
|
||||
|
||||
! Using the spectral method to calculate the change of deformation gradient, check divergence of stress field in fourier space
|
||||
case (1)
|
||||
print *, 'Update Stress Field (constitutive evaluation P(F))'
|
||||
ielem = 0_pInt
|
||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
||||
ielem = ielem + 1_pInt
|
||||
call CPFEM_general(3, coordinates(1:3,i,j,k), defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),&
|
||||
temperature(i,j,k),timeinc,ielem,1_pInt,&
|
||||
cstress,dsde, pstress, dPdF)
|
||||
enddo; enddo; enddo
|
||||
ielem = 0_pInt
|
||||
|
||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
||||
ielem = ielem + 1_pInt
|
||||
call CPFEM_general(CPFEM_mode,& ! first element in first iteration retains CPFEM_mode 1,
|
||||
coordinates(1:3,i,j,k),&
|
||||
defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),&
|
||||
temperature(i,j,k),timeinc,ielem,1_pInt,&
|
||||
cstress,dsde, pstress, dPdF)
|
||||
CPFEM_mode = 2_pInt
|
||||
workfft(i,j,k,:,:) = pstress
|
||||
cstress_av = cstress_av + math_mandel6to33(cstress)
|
||||
enddo; enddo; enddo
|
||||
cstress_av = cstress_av * wgt
|
||||
do n = 1,3; do m = 1,3
|
||||
pstress_av(m,n) = sum(workfft(1:resolution(1),1:resolution(2),1:resolution(3),m,n)) * wgt
|
||||
enddo; enddo
|
||||
|
||||
print *, 'Calculating equilibrium using spectral method'
|
||||
err_div = 0.0_pReal
|
||||
p_hat_avg = 0.0_pReal
|
||||
|
||||
call dfftw_execute_dft_r2c(plan_fft(1),workfft,workfft) ! FFT of pstress
|
||||
do m = 1,3 ! L infinity norm of stress tensor
|
||||
p_hat_avg = max(p_hat_avg, sum(abs(workfft(1,1,1,:,m)))) ! ignore imaginary part as it is always zero (Nyquist freq for real only input)
|
||||
err_stress_tol = 0.0_pReal
|
||||
if(size_reduced > 0_pInt) then ! calculate stress BC if applied
|
||||
err_stress = maxval(abs(mask_stress * (pstress_av - bc_stress(1:3,1:3,loadcase)))) ! maximum deviaton (tensor norm not applicable)
|
||||
do m = 1,3
|
||||
err_stress_tol = max(err_stress_tol, sum(abs(pstress_av(m,1:3)))) ! L_inf norm of average stress
|
||||
enddo
|
||||
err_stress_tol = err_stress_tol * err_stress_tolrel ! weighting by relative criterion
|
||||
print '(A,/)', '== Correcting Deformation Gradient to Fullfill BCs =='
|
||||
print '(2(a,E10.5)/)', 'Error Stress = ',err_stress, ' Tol. = ', err_stress_tol
|
||||
defgradAimCorr = - math_mul3333xx33(s_prev, ((pstress_av - bc_stress(1:3,1:3,loadcase)))) ! residual on given stress components
|
||||
defgradAim = defgradAim + defgradAimCorr
|
||||
endif
|
||||
print '(A,/)', '== Calculating Equilibrium Using Spectral Method =='
|
||||
err_div = 0.0_pReal
|
||||
p_hat_avg = 0.0_pReal
|
||||
|
||||
|
||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)/2+1
|
||||
err_div = max(err_div, maxval(abs(math_mul33x3_complex(workfft(i*2-1,j,k,:,:)+& ! maximum of L infinity norm of div(stress), Suquet 2001
|
||||
workfft(i*2, j,k,:,:)*img,xi(:,i,j,k)*minval(geomdimension)))))
|
||||
enddo; enddo; enddo
|
||||
call dfftw_execute_dft_r2c(plan_fft(1),workfft,workfft) ! FFT of pstress
|
||||
do m =1,3 ! L_inf norm of average stress in fourier space
|
||||
p_hat_avg = max(p_hat_avg,sum(abs(workfft(1,1,1,m,1:3)))) ! ignore imaginary part as it is always zero for real only input))
|
||||
enddo
|
||||
|
||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)/2+1
|
||||
err_div = err_div + maxval(abs(math_mul33x3_complex(workfft(i*2-1,j,k,1:3,1:3)+& ! avg of L_inf norm of div(stress) in fourier space (Suquet small strain)
|
||||
workfft(i*2, j,k,1:3,1:3)*img,xi(1:3,i,j,k))))
|
||||
enddo; enddo; enddo
|
||||
|
||||
err_div = err_div/p_hat_avg !weigthting of error by average stress (L infinity norm)
|
||||
err_div = err_div*wgt/p_hat_avg*(minval(geomdimension)*wgt**(-1/4)) ! weigthting, multiplying by minimum dimension to get rid of dimension dependency
|
||||
|
||||
if(memory_efficient) then ! memory saving version, on-the-fly calculation of gamma_hat
|
||||
if(memory_efficient) then ! memory saving version, on-the-fly calculation of gamma_hat
|
||||
do k = 1, resolution(3); do j = 1, resolution(2) ;do i = 1, resolution(1)/2+1
|
||||
if (any(xi(:,i,j,k) /= 0.0_pReal)) then
|
||||
do l = 1,3; do m = 1,3
|
||||
|
|
@ -712,59 +613,53 @@ program DAMASK_spectral
|
|||
temp33_Complex(m,n) = sum(gamma_hat(1,1,1,m,n,:,:) *(workfft(i*2-1,j,k,:,:)&
|
||||
+workfft(i*2 ,j,k,:,:)*img))
|
||||
enddo; enddo
|
||||
workfft(i*2-1,j,k,:,:) = real (temp33_Complex) ! change of average strain
|
||||
workfft(i*2-1,j,k,:,:) = real (temp33_Complex)
|
||||
workfft(i*2 ,j,k,:,:) = aimag(temp33_Complex)
|
||||
enddo; enddo; enddo
|
||||
else ! use precalculated gamma-operator
|
||||
enddo; enddo; enddo
|
||||
else ! use precalculated gamma-operator
|
||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)/2+1
|
||||
do m = 1,3; do n = 1,3
|
||||
temp33_Complex(m,n) = sum(gamma_hat(i,j,k, m,n,:,:) *(workfft(i*2-1,j,k,:,:)&
|
||||
+ workfft(i*2 ,j,k,:,:)*img))
|
||||
enddo; enddo
|
||||
workfft(i*2-1,j,k,:,:) = real (temp33_Complex) ! change of average strain
|
||||
workfft(i*2-1,j,k,:,:) = real (temp33_Complex)
|
||||
workfft(i*2 ,j,k,:,:) = aimag(temp33_Complex)
|
||||
enddo; enddo; enddo
|
||||
endif
|
||||
|
||||
workfft(1,1,1,:,:) = defgrad_av - math_I3 ! zero frequency (real part)
|
||||
workfft(2,1,1,:,:) = 0.0_pReal ! zero frequency (imaginary part)
|
||||
|
||||
call dfftw_execute_dft_c2r(plan_fft(2),workfft,workfft)
|
||||
defgrad = defgrad + workfft(1:resolution(1),:,:,:,:)*wgt
|
||||
do m = 1,3; do n = 1,3
|
||||
defgrad_av(m,n) = sum(defgrad(:,:,:,m,n))*wgt
|
||||
defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (defgradAim(m,n) - defgrad_av(m,n)) ! anticipated target minus current state
|
||||
enddo; enddo
|
||||
|
||||
err_stress = maxval(abs(mask_stress * (pstress_av - bc_stress(:,:,loadcase))))
|
||||
err_stress_tol = maxval(abs(pstress_av))*err_stress_tolrel ! accecpt relative error specified
|
||||
err_defgrad = maxval(abs(mask_defgrad * (defgrad_av - defgradAim)))
|
||||
|
||||
print '(2(a,E13.8))', ' error divergence: ',err_div, ' Tol. = ', err_div_tol
|
||||
print '(2(a,E13.8))', ' error stress: ',err_stress, ' Tol. = ', err_stress_tol
|
||||
print '(2(a,E13.8))', ' error deformation gradient: ',err_defgrad,' Tol. = ', err_defgrad_tol
|
||||
!ToDo: usefull .and. for err_div?
|
||||
if((err_stress > err_stress_tol .or. err_defgrad > err_defgrad_tol) .and. err_div < err_div_tol) then ! change to calculation of BCs, reset damper etc.
|
||||
calcmode = 0_pInt
|
||||
defgradAimCorr = 0.0_pReal
|
||||
damper = 1.0_pReal
|
||||
endif
|
||||
end select
|
||||
enddo; enddo; enddo
|
||||
endif
|
||||
|
||||
! average strain
|
||||
workfft(1,1,1,:,:) = defgrad_av - math_I3 ! zero frequency (real part)
|
||||
workfft(2,1,1,:,:) = 0.0_pReal ! zero frequency (imaginary part)
|
||||
|
||||
call dfftw_execute_dft_c2r(plan_fft(2),workfft,workfft)
|
||||
defgrad = defgrad + workfft(1:resolution(1),:,:,:,:)*wgt
|
||||
do m = 1,3; do n = 1,3
|
||||
defgrad_av(m,n) = sum(defgrad(:,:,:,m,n))*wgt
|
||||
defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (defgradAim(m,n) - defgrad_av(m,n)) ! anticipated target minus current state
|
||||
enddo; enddo
|
||||
|
||||
do m = 1,3; do n = 1,3
|
||||
defgrad_av(m,n) = sum(defgrad(:,:,:,m,n))*wgt
|
||||
enddo; enddo
|
||||
print '(a,/,3(3(f12.7,x)/))', 'Deformation Gradient:',math_transpose3x3(defgrad_av)
|
||||
print '(2(a,E10.5)/)', 'Error Divergence = ',err_div, ' Tol. = ', err_div_tol
|
||||
|
||||
enddo ! end looping when convergency is achieved
|
||||
|
||||
c_prev = c_current*wgt ! calculate stiffness for next step
|
||||
if (mod(step,bc_frequency(loadcase)) == 0_pInt) & ! at output frequency
|
||||
write(538) materialpoint_results(:,1,:) ! write result to file
|
||||
|
||||
print '(A)', '------------------------------------------------------------'
|
||||
print '(a,x,f12.7)' , ' Determinant of Deformation Aim: ', math_det3x3(defgradAim)
|
||||
print '(a,/,3(3(f12.7,x)/))', ' Deformation Aim: ',math_transpose3x3(defgradAim)
|
||||
print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient:',math_transpose3x3(defgrad_av)
|
||||
print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress / MPa: ',math_transpose3x3(cstress_av)/1.e6
|
||||
print '(a,/,3(3(f10.4,x)/))', ' Piola-Kirchhoff Stress / MPa: ',math_transpose3x3(pstress_av)/1.e6
|
||||
print '(A)', '************************************************************'
|
||||
print '(2(A,I5.5),A,/)', 'Step = ',step, ' of Loadcase = ',loadcase, ' Converged'
|
||||
print '(a,x,f12.7,/)' , 'Determinant of Deformation Aim: ', math_det3x3(defgradAim)
|
||||
print '(a,/,3(3(f12.7,x)/))', 'Deformation Aim: ',math_transpose3x3(defgradAim)
|
||||
print '(a,/,3(3(f12.7,x)/))', 'Deformation Gradient:',math_transpose3x3(defgrad_av)
|
||||
print '(a,/,3(3(f10.4,x)/))', 'Piola-Kirchhoff Stress / MPa (prev. Iteration): ',math_transpose3x3(pstress_av)/1.e6
|
||||
print '(A,/)', '************************************************************'
|
||||
enddo ! end looping over steps in current loadcase
|
||||
enddo ! end looping over loadcases
|
||||
print '(a,i10,a)', 'A Total of ', not_converged_counter, ' Steps did not converge!'
|
||||
deallocate(c_reduced)
|
||||
deallocate(s_reduced)
|
||||
enddo ! end looping over loadcases
|
||||
print '(a,i10,a)', 'A Total of ', not_converged_counter, ' Steps did not Converge!'
|
||||
close(538)
|
||||
call dfftw_destroy_plan(plan_fft(1)); call dfftw_destroy_plan(plan_fft(2))
|
||||
|
||||
|
|
|
|||
|
|
@ -1196,6 +1196,8 @@ endfunction
|
|||
msg = 'non-positive increments in spectral loadcase'
|
||||
case (36)
|
||||
msg = 'non-positive result frequency in spectral loadcase'
|
||||
case (37)
|
||||
msg = 'incomplete loadcase'
|
||||
case (40)
|
||||
msg = 'path rectification error'
|
||||
case (41)
|
||||
|
|
|
|||
|
|
@ -1165,6 +1165,23 @@ pure function math_transpose3x3(A)
|
|||
forall (i=1:9) math_Plain33to9(i) = m33(mapPlain(1,i),mapPlain(2,i))
|
||||
|
||||
endfunction math_Plain33to9
|
||||
|
||||
!********************************************************************
|
||||
! convert 3x3 matrix into vector 9x1
|
||||
!********************************************************************
|
||||
pure function math_Plain33to9_logical(m33)
|
||||
|
||||
use prec, only: pReal,pInt
|
||||
implicit none
|
||||
|
||||
logical, dimension(3,3), intent(in) :: m33
|
||||
logical, dimension(9) :: math_Plain33to9_logical
|
||||
integer(pInt) i
|
||||
|
||||
forall (i=1:9) math_Plain33to9_logical(i) = m33(mapPlain(1,i),mapPlain(2,i))
|
||||
|
||||
endfunction math_Plain33to9_logical
|
||||
|
||||
!********************************************************************
|
||||
! convert Plain 9x1 back to 3x3 matrix
|
||||
!********************************************************************
|
||||
|
|
@ -2048,7 +2065,7 @@ endfunction math_sampleGaussVar
|
|||
real(pReal) CE(3,3),EW1,EW2,EW3,EB1(3,3),EB2(3,3),EB3(3,3),UI(3,3),det
|
||||
|
||||
error = .false.
|
||||
ce = math_mul33x33(transpose(FE),FE)
|
||||
ce = math_mul33x33(math_transpose3x3(FE),FE)
|
||||
|
||||
CALL math_spectral1(CE,EW1,EW2,EW3,EB1,EB2,EB3)
|
||||
U=sqrt(EW1)*EB1+sqrt(EW2)*EB2+sqrt(EW3)*EB3
|
||||
|
|
@ -2154,6 +2171,51 @@ endfunction math_sampleGaussVar
|
|||
|
||||
ENDSUBROUTINE math_spectral1
|
||||
|
||||
!**********************************************************************
|
||||
function math_eigenvalues3x3(M)
|
||||
!**** Eigenvalues of symmetric 3X3 matrix M
|
||||
|
||||
use prec, only: pReal, pInt
|
||||
implicit none
|
||||
|
||||
real(pReal), intent(in) :: M(3,3)
|
||||
real(pReal), dimension(3,3) :: EB1(3,3),EB2(3,3),EB3(3,3)
|
||||
real(pReal), dimension(3) :: math_eigenvalues3x3
|
||||
real(pReal) HI1M,HI2M,HI3M,TOL,R,S,T,P,Q,RHO,PHI,Y1,Y2,Y3,arg,EW1,EW2,EW3
|
||||
TOL=1.e-14_pReal
|
||||
CALL math_hi(M,HI1M,HI2M,HI3M)
|
||||
R=-HI1M
|
||||
S= HI2M
|
||||
T=-HI3M
|
||||
P=S-R**2.0_pReal/3.0_pReal
|
||||
Q=2.0_pReal/27.0_pReal*R**3.0_pReal-R*S/3.0_pReal+T
|
||||
EB1=0.0_pReal
|
||||
EB2=0.0_pReal
|
||||
EB3=0.0_pReal
|
||||
if((abs(P) < TOL) .and. (abs(Q) < TOL)) THEN
|
||||
! three equivalent eigenvalues
|
||||
math_eigenvalues3x3(1) = HI1M/3.0_pReal
|
||||
math_eigenvalues3x3(2)=math_eigenvalues3x3(1)
|
||||
math_eigenvalues3x3(3)=math_eigenvalues3x3(1)
|
||||
! this is not really correct, but this way U is calculated
|
||||
! correctly in PDECOMPOSITION (correct is EB?=I)
|
||||
EB1(1,1)=1.0_pReal
|
||||
EB2(2,2)=1.0_pReal
|
||||
EB3(3,3)=1.0_pReal
|
||||
else
|
||||
RHO=sqrt(-3.0_pReal*P**3.0_pReal)/9.0_pReal
|
||||
arg=-Q/RHO/2.0_pReal
|
||||
if(arg.GT.1) arg=1
|
||||
if(arg.LT.-1) arg=-1
|
||||
PHI=acos(arg)
|
||||
Y1=2*RHO**(1.0_pReal/3.0_pReal)*cos(PHI/3.0_pReal)
|
||||
Y2=2*RHO**(1.0_pReal/3.0_pReal)*cos(PHI/3.0_pReal+2.0_pReal/3.0_pReal*PI)
|
||||
Y3=2*RHO**(1.0_pReal/3.0_pReal)*cos(PHI/3.0_pReal+4.0_pReal/3.0_pReal*PI)
|
||||
math_eigenvalues3x3(1) = Y1-R/3.0_pReal
|
||||
math_eigenvalues3x3(2) = Y2-R/3.0_pReal
|
||||
math_eigenvalues3x3(3) = Y3-R/3.0_pReal
|
||||
endif
|
||||
endfunction math_eigenvalues3x3
|
||||
|
||||
!**********************************************************************
|
||||
!**** HAUPTINVARIANTEN HI1M, HI2M, HI3M DER 3X3 MATRIX M
|
||||
|
|
|
|||
|
|
@ -67,9 +67,8 @@ real(pReal) relevantStrain, & ! strain
|
|||
!* spectral parameters:
|
||||
err_div_tol, & ! error of divergence in fourier space
|
||||
err_stress_tol, & ! absolut stress error, will be computed from err_stress_tolrel (dont prescribe a value)
|
||||
err_stress_tolrel, & ! factor to multiply with highest stress to get err_stress_tol
|
||||
err_defgrad_tol ! tolerance for error of defgrad compared to prescribed defgrad
|
||||
logical memory_efficient ! for fast execution (pre calculation of gamma_hat)
|
||||
err_stress_tolrel ! factor to multiply with highest stress to get err_stress_tol
|
||||
logical memory_efficient ! for fast execution (pre calculation of gamma_hat)
|
||||
integer(pInt) itmax , & ! maximum number of iterations
|
||||
|
||||
|
||||
|
|
@ -163,10 +162,9 @@ subroutine numerics_init()
|
|||
volDiscrPow_RGC = 5.0
|
||||
|
||||
!* spectral parameters:
|
||||
err_div_tol = 1.0e-2 ! proposed by Suquet, less strict criteria are usefull, e.g. 5e-3
|
||||
err_defgrad_tol = 1.0e-3 ! relative tolerance for fullfillment of average deformation gradient (is usually passively fullfilled)
|
||||
err_div_tol = 1.0e-4 ! 1.0e-4 proposed by Suquet
|
||||
err_stress_tolrel = 0.01 ! relative tolerance for fullfillment of stress BC
|
||||
itmax = 40_pInt ! Maximum iteration number
|
||||
itmax = 20_pInt ! Maximum iteration number
|
||||
memory_efficient = .true. ! Precalculate Gamma-operator (81 double per point)
|
||||
|
||||
!* Random seeding parameters: added <<<updated 27.08.2009>>>
|
||||
|
|
@ -274,8 +272,6 @@ subroutine numerics_init()
|
|||
!* spectral parameters
|
||||
case ('err_div_tol')
|
||||
err_div_tol = IO_floatValue(line,positions,2)
|
||||
case ('err_defgrad_tol')
|
||||
err_defgrad_tol = IO_floatValue(line,positions,2)
|
||||
case ('err_stress_tolrel')
|
||||
err_stress_tolrel = IO_floatValue(line,positions,2)
|
||||
case ('itmax')
|
||||
|
|
@ -345,7 +341,6 @@ subroutine numerics_init()
|
|||
|
||||
!* spectral parameters
|
||||
write(6,'(a24,x,e8.1)') 'err_div_tol: ',err_div_tol
|
||||
write(6,'(a24,x,e8.1)') 'err_defgrad_tol: ',err_defgrad_tol
|
||||
write(6,'(a24,x,e8.1)') 'err_stress_tolrel: ',err_stress_tolrel
|
||||
write(6,'(a24,x,i8)') 'itmax: ',itmax
|
||||
write(6,'(a24,x,L8)') 'memory_efficient: ',memory_efficient
|
||||
|
|
@ -403,7 +398,6 @@ subroutine numerics_init()
|
|||
|
||||
!* spectral parameters
|
||||
if (err_div_tol <= 0.0_pReal) call IO_error(49)
|
||||
if (err_defgrad_tol <= 0.0_pReal) call IO_error(49)
|
||||
if (err_stress_tolrel <= 0.0_pReal) call IO_error(49)
|
||||
if (itmax <= 1.0_pInt) call IO_error(49)
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue