626 lines
29 KiB
Fortran
626 lines
29 KiB
Fortran
! Copyright 2011 Max-Planck-Institut für 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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!
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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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! the Free Software Foundation, either version 3 of the License, or
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! (at your option) any later version.
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!
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! DAMASK is distributed in the hope that it will be useful,
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! but WITHOUT ANY WARRANTY; without even the implied warranty of
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! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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! GNU General Public License for more details.
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!
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! You should have received a copy of the GNU General Public License
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! along with DAMASK. If not, see <http://www.gnu.org/licenses/>.
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!
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!##############################################################
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!* $Id: mpie_spectral2d.f90 665 2010-10-13 16:04:44Z MPIE\m.diehl $
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!********************************************************************
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! Material subroutine for BVP solution using spectral method
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! Version for 2D Problems, suitable for testing and implementation of new features
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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! Not working by now due to changes on other routines
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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! written by P. Eisenlohr,
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! F. Roters,
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! L. Hantcherli,
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! W.A. Counts
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! D.D. Tjahjanto
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! C. Kords
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! M. Diehl
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! R. Lebensohn
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!
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! MPI fuer Eisenforschung, Duesseldorf
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!
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!********************************************************************
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! Usage:
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! - start program with mpie_spectral PathToMeshFile/NameOfMesh.mesh
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! PathToLoadFile/NameOfLoadFile.load
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! - PathToLoadFile will be the working directory
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! - make sure the file "material.config" exists in the working
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! directory
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!********************************************************************
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program mpie_spectral
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!********************************************************************
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use mpie_interface
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use prec, only: pInt, pReal
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use IO
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use math
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use CPFEM, only: CPFEM_general
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use numerics, only: relevantStrain, rTol_crystalliteStress
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implicit none
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include 'fftw3.f' !header file for fftw3 (declaring variables). Library file is also needed
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! variables to read from loadcase and mesh file
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real(pReal), dimension(9) :: valuevector ! stores information temporarily from loadcase file
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integer(pInt), parameter :: maxNchunksInput = 24 ! 4 identifiers, 18 values for the matrices and 2 scalars
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integer(pInt), dimension (1+maxNchunksInput*2) :: posInput
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integer(pInt), parameter :: maxNchunksMesh = 7 ! 4 identifiers, 3 values
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integer(pInt), dimension (1+2*maxNchunksMesh) :: posMesh
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integer(pInt) unit, N_l, N_s, N_t, N_n ! 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) timeinc
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real(pReal), dimension (:,:,:), allocatable :: bc_velocityGrad, &
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bc_stress ! velocity gradient and stress BC
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real(pReal), dimension(:), allocatable :: bc_timeIncrement ! length of increment
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integer(pInt) N_Loadcases, steps
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integer(pInt), dimension(:), allocatable :: bc_steps ! number of steps
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logical, dimension(:,:,:,:), allocatable :: bc_mask ! mask of boundary conditions
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! variables storing information from mesh file
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real(pReal) wgt
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real(pReal), dimension(3) :: meshdimension
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integer(pInt) homog, prodnn
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integer(pInt), dimension(3) :: resolution
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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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mask_stress, mask_defgrad
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real(pReal), dimension(3,3,3,3) :: dPdF, c0, s0
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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
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real(pReal), dimension(:,:,:,:), allocatable :: defgradold, cstress_field, defgrad
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complex(pReal), dimension(:,:,:,:), allocatable :: pstress_field, tau
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complex(pReal), dimension(:,:), allocatable :: ddefgrad
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! variables storing information for spectral method
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complex(pReal), dimension(:,:,:,:), allocatable :: workfft
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complex(pReal), dimension(3,3) :: temp33_Complex
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real(pReal), dimension(3,3) :: xinormdyad
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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(2) :: k_s
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integer*8, dimension(3,3,3) :: plan_fft
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! convergence etc.
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real(pReal) err_div, err_stress, err_defgrad
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real(pReal) err_div_tol, err_stress_tol, err_stress_tolrel, sigma0
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integer(pInt) itmax, ierr
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logical errmatinv
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! loop variables etc.
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real(pReal) guessmode ! flip-flop to guess defgrad fluctuation field evolution
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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
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real(pReal) temperature ! not used, but needed for call to CPFEM_general
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!gmsh output
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character(len=1024) :: nriter
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character(len=1024) :: nrstep
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character(len=1024) :: nrloadcase
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real(pReal), dimension(:,:,:), allocatable :: displacement
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!gmsh output
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!Initializing
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bc_maskvector = ''
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unit = 234_pInt
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ones = 1.0_pReal
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zeroes = 0.0_pReal
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N_l = 0_pInt
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N_s = 0_pInt
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N_t = 0_pInt
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N_n = 0_pInt
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resolution = 1_pInt; meshdimension = 0.0_pReal
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err_div_tol = 1.0e-4
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itmax = 250_pInt
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err_stress_tolrel=0.01
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temperature = 300.0_pReal
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gotResolution =.false.; gotDimension =.false.; gotHomogenization = .false.
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if (IargC() /= 2) call IO_error(102) ! check for correct number of given arguments
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! Reading the loadcase file and assign variables
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path = getLoadcaseName()
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print*,'Loadcase: ',trim(path)
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print*,'Workingdir: ',trim(getSolverWorkingDirectoryName())
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if (.not. IO_open_file(unit,path)) call IO_error(45,ext_msg = path)
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rewind(unit)
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do
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read(unit,'(a1024)',END = 101) line
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if (IO_isBlank(line)) cycle ! skip empty lines
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posInput = IO_stringPos(line,maxNchunksInput)
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do i = 1, maxNchunksInput, 1
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select case (IO_lc(IO_stringValue(line,posInput,i)))
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case('l','velocitygrad')
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N_l = N_l+1
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case('s','stress')
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N_s = N_s+1
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case('t','time','delta')
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N_t = N_t+1
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case('n','incs','increments','steps')
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N_n = N_n+1
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end select
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enddo ! count all identifiers to allocate memory and do sanity check
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if ((N_l /= N_s).or.(N_s /= N_t).or.(N_t /= N_n)) & ! sanity check
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call IO_error(46,ext_msg = path) !error message for incomplete input file
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enddo
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! allocate memory depending on lines in input file
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101 N_Loadcases = N_l
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allocate (bc_velocityGrad(3,3,N_Loadcases)); bc_velocityGrad = 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_timeIncrement(N_Loadcases)); bc_timeIncrement = 0.0_pReal
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allocate (bc_steps(N_Loadcases)); bc_steps = 0_pInt
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rewind(unit)
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i = 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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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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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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enddo
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bc_mask(:,:,1,i) = reshape(bc_maskvector,(/3,3/))
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bc_velocityGrad(:,:,i) = reshape(valuevector,(/3,3/))
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case('s','stress')
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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) = reshape(bc_maskvector,(/3,3/))
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bc_stress(:,:,i) = 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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case('n','incs','increments','steps') ! bc_steps
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bc_steps(i) = IO_intValue(line,posInput,j+1)
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end select
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enddo; enddo
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200 close(unit)
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do i = 1, N_Loadcases
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if (any(bc_mask(:,:,1,i) == bc_mask(:,:,2,i))) call IO_error(47,i) ! bc_mask consistency
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print '(a,/,3(3(f12.6,x)/))','L',bc_velocityGrad(:,:,i)
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print '(a,/,3(3(f12.6,x)/))','bc_stress',bc_stress(:,:,i)
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print '(a,/,3(3(l,x)/))','bc_mask for velocitygrad',bc_mask(:,:,1,i)
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print '(a,/,3(3(l,x)/))','bc_mask for stress',bc_mask(:,:,2,i)
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print *,'time',bc_timeIncrement(i)
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print *,'incs',bc_steps(i)
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print *, ''
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enddo
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!read header of mesh file to get the information needed before the complete mesh file is intepretated by mesh.f90
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path = getSolverJobName()
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print*,'JobName: ',trim(path)
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if (.not. IO_open_file(unit,trim(path)//InputFileExtension)) call IO_error(101,ext_msg = path)
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rewind(unit)
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do
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read(unit,'(a1024)',END = 100) line
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if (IO_isBlank(line)) cycle ! skip empty lines
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posMesh = IO_stringPos(line,maxNchunksMesh)
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select case ( IO_lc(IO_StringValue(line,posMesh,1)) )
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case ('dimension')
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gotDimension = .true.
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do i = 2,6,2
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select case (IO_lc(IO_stringValue(line,posMesh,i)))
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case('x')
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meshdimension(1) = IO_floatValue(line,posMesh,i+1)
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case('y')
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meshdimension(2) = IO_floatValue(line,posMesh,i+1)
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case('z')
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meshdimension(3) = IO_floatValue(line,posMesh,i+1)
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end select
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enddo
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case ('homogenization')
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gotHomogenization = .true.
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homog = IO_intValue(line,posMesh,2)
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case ('resolution')
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gotResolution = .true.
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do i = 2,6,2
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select case (IO_lc(IO_stringValue(line,posMesh,i)))
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case('a')
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resolution(1) = IO_intValue(line,posMesh,i+1)
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case('b')
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resolution(2) = IO_intValue(line,posMesh,i+1)
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case('c')
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resolution(3) = IO_intValue(line,posMesh,i+1)
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end select
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enddo
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end select
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if (gotDimension .and. gotHomogenization .and. gotResolution) exit
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if (resolution(3) /=1) exit
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enddo
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100 close(unit)
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print '(a,/,i4,i4,i4)','resolution a b c', resolution
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print '(a,/,f6.1,f6.1,f6.1)','dimension x y z', meshdimension
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print *,'homogenization',homog
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print *, ''
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allocate (workfft(resolution(1),resolution(2),3,3)); workfft = 0.0_pReal
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allocate (gamma_hat(resolution(1),resolution(2),3,3,3,3)); gamma_hat = 0.0_pReal
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allocate (xi(resolution(1),resolution(2),3)); xi = 0.0_pReal
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allocate (pstress_field(resolution(1),resolution(2),3,3)); pstress_field = 0.0_pReal
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allocate (cstress_field(resolution(1),resolution(2),3,3)); cstress_field = 0.0_pReal
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allocate (tau(resolution(1),resolution(2),3,3)); tau = 0.0_pReal
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allocate (displacement(resolution(1),resolution(2),3)); displacement = 0.0_pReal
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allocate (defgrad(resolution(1),resolution(2),3,3)); defgrad = 0.0_pReal
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allocate (defgradold(resolution(1),resolution(2),3,3)); defgradold = 0.0_pReal
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allocate (ddefgrad(resolution(1),resolution(2))); ddefgrad = 0.0_pReal
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! Initialization of fftw (see manual on fftw.org for more details)
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call dfftw_init_threads(ierr)
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call dfftw_plan_with_nthreads(4)
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do m = 1,3; do n = 1,3
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call dfftw_plan_dft_2d(plan_fft(1,m,n),resolution(1),resolution(2),&
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cstress_field(:,:,m,n), workfft(:,:,m,n), FFTW_PATIENT, FFTW_FORWARD) !only for calculation of div (P)
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call dfftw_plan_dft_2d(plan_fft(2,m,n),resolution(1),resolution(2),&
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tau(:,:,m,n), workfft(:,:,m,n), FFTW_PATIENT, FFTW_FORWARD)
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call dfftw_plan_dft_2d(plan_fft(3,m,n),resolution(1),resolution(2),&
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workfft(:,:,m,n), ddefgrad(:,:), FFTW_PATIENT, FFTW_BACKWARD)
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enddo; enddo
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prodnn = resolution(1)*resolution(2)
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wgt = 1_pReal/real(prodnn, pReal)
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defgradAim = math_I3
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defgradAimOld = math_I3
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defgrad_av = math_I3
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! Initialization of CPFEM_general (= constitutive law) and of deformation gradient field
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ielem = 0_pInt
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c066 = 0.0_pReal
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do j = 1, resolution(3); do i = 1, resolution(2)
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defgradold(i,j,:,:) = math_I3 !no deformation at the beginning
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defgrad(i,j,:,:) = math_I3
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ielem = ielem +1
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call CPFEM_general(2,math_I3,math_I3,temperature,0.0_pReal,ielem,1_pInt,cstress,dsde,pstress,dPdF)
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c066 = c066 + dsde
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enddo; enddo
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c066 = c066 * wgt
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c0 = math_mandel66to3333(c066)
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call math_invert(6, c066, s066,i, errmatinv)
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s0 = math_mandel66to3333(s066)
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!calculation of xinormdyad (to calculate gamma_hat) and xi (waves, for proof of equilibrium)
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do j = 1, resolution(2)
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k_s(2) = j-1
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if(j > resolution(2)/2+1) k_s(2) = k_s(2)-resolution(2)
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do i = 1, resolution(1)
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k_s(1) = i-1
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if(i > resolution(1)/2+1) k_s(1) = k_s(1)-resolution(1)
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xi(i,j,3) = 0.0_pReal
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xi(i,j,2) = real(k_s(2), pReal)/meshdimension(2)
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xi(i,j,1) = real(k_s(1), pReal)/meshdimension(1)
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if (any(xi(i,j,:) /= 0.0_pReal)) then
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do l = 1,2; do m = 1,2
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xinormdyad(l,m) = xi(i,j, l)*xi(i,j, m)/sum(xi(i,j,:)**2)
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enddo; enddo
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else
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xinormdyad = 0.0_pReal
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endif
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temp33_Real = math_mul3333xx33(c0, xinormdyad)
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temp33_Real = math_inv3x3(temp33_Real)
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do l=1,3; do m=1,3; do n=1,3; do p=1,3
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gamma_hat(i,j, l,m,n,p) = - temp33_Real(l,n) * xinormdyad(m,p)
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! gamma_hat(i,j,k, l,m,n,p) = - 0.5_pReal * temp33_Real(l,n) * xinormdyad(m,p)& ! symmetrization????????
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! - 0.5_pReal * temp33_Real(m,n) * xinormdyad(l,p)
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enddo; enddo; enddo; enddo
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enddo; enddo
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open(539,file='stress-strain.out')
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! Initialization done
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!*************************************************************
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!Loop over loadcases defined in the loadcase file
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do loadcase = 1, N_Loadcases
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!*************************************************************
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timeinc = bc_timeIncrement(loadcase)/bc_steps(loadcase)
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guessmode = 0.0_pReal ! change of load case, homogeneous guess for the first step
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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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!*************************************************************
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! loop oper steps defined in input file for current loadcase
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do steps = 1, bc_steps(loadcase)
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!*************************************************************
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temp33_Real = defgradAim
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defgradAim = defgradAim & ! update macroscopic displacement gradient (defgrad BC)
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+ guessmode * mask_stress * (defgradAim - defgradAimOld) &
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+ math_mul33x33(bc_velocityGrad(:,:,loadcase), defgradAim)*timeinc
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defgradAimOld = temp33_Real
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do j = 1, resolution(2); do i = 1, resolution(1)
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temp33_Real = defgrad(i,j,:,:)
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defgrad(i,j,:,:) = defgrad(i,j,:,:)& ! old fluctuations as guess for new step, no fluctuations for new loadcase
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+ guessmode * (defgrad(i,j,:,:) - defgradold(i,j,:,:))&
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+ (1.0_pReal-guessmode) * math_mul33x33(bc_velocityGrad(:,:,loadcase),defgradold(i,j,:,:))*timeinc
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defgradold(i,j,:,:) = temp33_Real
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enddo; enddo
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guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase
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calcmode = 0_pInt ! start calculation of BC fullfillment
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CPFEM_mode = 1_pInt ! winding forward
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iter = 0_pInt
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err_div= 2_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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!*************************************************************
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! convergence loop
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do while( iter <= itmax .and. &
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(err_div > err_div_tol .or. &
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err_stress > err_stress_tol))
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iter = iter + 1
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print '(A,I5.5,tr2,A,I5.5)', ' Step = ',steps,'Iteration = ',iter
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!*************************************************************
|
|
|
|
! adjust defgrad to fulfill BCs
|
|
select case (calcmode)
|
|
case (0)
|
|
print *, 'Update Stress Field (constitutive evaluation P(F))'
|
|
ielem = 0_pInt
|
|
do j = 1, resolution(2); do i = 1, resolution(1)
|
|
ielem = ielem + 1
|
|
call CPFEM_general(3, defgradold(i,j,:,:), defgrad(i,j,:,:),&
|
|
temperature,timeinc,ielem,1_pInt,&
|
|
cstress,dsde, pstress, dPdF)
|
|
enddo; enddo
|
|
|
|
ielem = 0_pInt
|
|
do j = 1, resolution(2); do i = 1, resolution(1)
|
|
ielem = ielem + 1
|
|
call CPFEM_general(CPFEM_mode,& ! first element in first iteration retains CPFEM_mode 1,
|
|
defgradold(i,j,:,:), defgrad(i,j,:,:),& ! others get 2 (saves winding forward effort)
|
|
temperature,timeinc,ielem,1_pInt,&
|
|
cstress,dsde, pstress, dPdF)
|
|
CPFEM_mode = 2_pInt
|
|
pstress_field(i,j,:,:) = pstress
|
|
cstress_field(i,j,:,:) = math_mandel6to33(cstress)
|
|
enddo; enddo
|
|
|
|
do m = 1,3; do n = 1,3
|
|
pstress_av(m,n) = sum(pstress_field(:,:,m,n)) * wgt
|
|
cstress_av(m,n) = sum(cstress_field(:,:,m,n)) * wgt
|
|
defgrad_av(m,n) = sum(defgrad(:,:,m,n)) * wgt
|
|
enddo; enddo
|
|
|
|
err_stress = maxval(abs(mask_stress * (cstress_av - bc_stress(:,:,loadcase))))
|
|
err_stress_tol = maxval(abs(cstress_av))*err_stress_tolrel
|
|
|
|
print*, 'Correcting deformation gradient to fullfill BCs'
|
|
defgradAimCorrPrev = defgradAimCorr
|
|
defgradAimCorr = -mask_stress * math_mul3333xx33(s0, (mask_stress*(cstress_av - bc_stress(:,:,loadcase))))
|
|
|
|
do m=1,3; do n =1,3 ! calculate damper (correction is far to strong)
|
|
if ( sign(1.0_pReal,defgradAimCorr(m,n))/=sign(1.0_pReal,defgradAimCorrPrev(m,n))) then
|
|
damper(m,n) = max(0.01_pReal,damper(m,n)*0.8)
|
|
else
|
|
damper(m,n) = min(1.0_pReal,damper(m,n) *1.2)
|
|
endif
|
|
enddo; enddo
|
|
defgradAimCorr = mask_Stress*(damper * defgradAimCorr)
|
|
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 * err_div_tol
|
|
err_defgrad = maxval(abs(mask_defgrad * (defgrad_av - defgradAim)))
|
|
print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient: ',defgrad_av(1:3,:)
|
|
print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress [MPa]: ',cstress_av(1:3,:)/1.e6
|
|
print '(a,E8.2)', ' error defgrad ',err_defgrad
|
|
print '(2(a,E8.2))', ' error stress ',err_stress,' Tol. = ', err_stress_tol*0.8
|
|
if(err_stress < err_stress_tol*0.8) then
|
|
calcmode = 1
|
|
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 j = 1, resolution(2); do i = 1, resolution(1)
|
|
ielem = ielem + 1
|
|
call CPFEM_general(3, defgradold(i,j,:,:), defgrad(i,j,:,:),&
|
|
temperature,timeinc,ielem,1_pInt,&
|
|
cstress,dsde, pstress, dPdF)
|
|
enddo; enddo
|
|
|
|
ielem = 0_pInt
|
|
do j = 1, resolution(2); do i = 1, resolution(1)
|
|
ielem = ielem + 1
|
|
call CPFEM_general(2,&
|
|
defgradold(i,j,:,:), defgrad(i,j,:,:),&
|
|
temperature,timeinc,ielem,1_pInt,&
|
|
cstress,dsde, pstress, dPdF)
|
|
pstress_field(i,j,:,:) = pstress
|
|
cstress_field(i,j,:,:) = math_mandel6to33(cstress)
|
|
enddo; enddo
|
|
|
|
do j = 1, resolution(2); do i = 1, resolution(1)
|
|
tau(i,j,:,:) = cstress_field(i,j,:,:) - math_mul3333xx33(c0, defgrad(i,j,:,:)-math_I3)
|
|
enddo; enddo
|
|
|
|
print *, 'Calculating equilibrium using spectral method'
|
|
err_div = 0.0_pReal; sigma0 = 0.0_pReal
|
|
do m = 1,3; do n = 1,3
|
|
call dfftw_execute_dft(plan_fft(1,m,n), cstress_field(:,:,m,n),workfft(:,:,m,n))
|
|
if(n==3) sigma0 = max(sigma0, sum(abs(workfft(1,1,m,:)))) ! L infinity Norm of stress tensor
|
|
enddo; enddo
|
|
|
|
do j = 1, resolution(2); do i = 1, resolution(1)
|
|
err_div = err_div + (maxval(abs(math_mul33x3_complex(workfft(i,j,:,:),xi(i,j,:))))) ! L infinity Norm of div(stress)
|
|
enddo; enddo
|
|
err_div = err_div/real(prodnn, pReal)/sigma0 !weighting of error
|
|
|
|
do m = 1,3; do n = 1,3
|
|
call dfftw_execute_dft(plan_fft(2,m,n), tau(:,:,m,n), workfft(:,:,m,n))
|
|
enddo; enddo
|
|
|
|
do j = 1, resolution(2); do i = 1, resolution(1)
|
|
temp33_Complex = 0.0_pReal
|
|
do m = 1,3; do n = 1,3
|
|
temp33_Complex(m,n) = sum(gamma_hat(i,j,m,n,:,:) * workfft(i,j,:,:))
|
|
enddo; enddo
|
|
workfft(i,j,:,:) = temp33_Complex(:,:)
|
|
enddo; enddo
|
|
workfft(1,1,:,:) = zeroes!????
|
|
|
|
do m = 1,3; do n = 1,3
|
|
call dfftw_execute_dft(plan_fft(3,m,n), workfft(:,:,m,n),ddefgrad(:,:))
|
|
defgrad(:,:,m,n) = defgrad_av(m,n) + real(ddefgrad, pReal) * wgt
|
|
pstress_av(m,n) = sum(pstress_field(:,:,m,n))*wgt
|
|
cstress_av(m,n) = sum(cstress_field(:,:,m,n))*wgt
|
|
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 * (cstress_av - bc_stress(:,:,loadcase))))
|
|
err_stress_tol = maxval(abs(cstress_av))*err_stress_tolrel !accecpt relativ error specified
|
|
|
|
print '(2(a,E8.2))', ' error divergence ',err_div,' Tol. = ', err_div_tol
|
|
print '(2(a,E8.2))', ' error stress ',err_stress,' Tol. = ', err_stress_tol
|
|
if(err_stress > err_stress_tol .and. err_div < err_div_tol) then ! change to calculation of BCs, reset damper etc.
|
|
calcmode = 0
|
|
defgradAimCorr = 0.0_pReal
|
|
damper = damper * 0.9_pReal
|
|
endif
|
|
end select
|
|
enddo ! end looping when convergency is achieved
|
|
|
|
write(539,'(E12.6,a,E12.6)'),defgrad_av(3,3)-1,' ', cstress_av(3,3)
|
|
print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient: ',defgrad_av(1:3,:)
|
|
print *, ''
|
|
print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress [MPa]: ',cstress_av(1:3,:)/1.e6
|
|
print '(A)', '************************************************************'
|
|
|
|
! Postprocessing (gsmh output)
|
|
|
|
temp33_Real(1,:) = 0.0_pReal; temp33_Real(1,3) = -(real(resolution(3))/meshdimension(3)) ! start just below origin
|
|
k=1
|
|
do j = 1, resolution(2); do i = 1, resolution(1)
|
|
if((j==1).and.(i==1)) then
|
|
temp33_Real(1,:) = temp33_Real(1,:) + math_mul33x3(defgrad(i,j,:,:),&
|
|
(/0.0_pReal,0.0_pReal,(real(resolution(3))/meshdimension(3))/))
|
|
temp33_Real(2,:) = temp33_Real(1,:)
|
|
temp33_Real(3,:) = temp33_Real(1,:)
|
|
displacement(i,j,:) = temp33_Real(1,:)
|
|
else
|
|
if(i==1) then
|
|
temp33_Real(2,:) = temp33_Real(2,:) + math_mul33x3(defgrad(i,j,:,:),&
|
|
(/0.0_pReal,(real(resolution(2))/meshdimension(2)),0.0_pReal/))
|
|
temp33_Real(3,:) = temp33_Real(2,:)
|
|
displacement(i,j,:) = temp33_Real(2,:)
|
|
else
|
|
temp33_Real(3,:) = temp33_Real(3,:) + math_mul33x3(defgrad(i,j,:,:),&
|
|
(/(real(resolution(1))/meshdimension(1)),0.0_pReal,0.0_pReal/))
|
|
displacement(i,j,:) = temp33_Real(3,:)
|
|
endif
|
|
endif
|
|
enddo; enddo
|
|
|
|
write(nrloadcase, *) loadcase; write(nriter, *) iter; write(nrstep, *) steps
|
|
open(589,file = 'stress' //trim(adjustl(nrloadcase))//'-'//trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh')
|
|
open(588,file = 'disgrad'//trim(adjustl(nrloadcase))//'-'//trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh')
|
|
write(589, '(4(A, /), I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', prodnn
|
|
write(588, '(4(A, /), I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', prodnn
|
|
|
|
ielem = 0_pInt
|
|
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
|
ielem = ielem + 1
|
|
write(589, '(I10, 3(tr2, E12.6))'), ielem, displacement(i,j,:) !for deformed configuration
|
|
write(588, '(I10, 3(tr2, E12.6))'), ielem, displacement(i,j,:)
|
|
! write(589, '(4(I10,tr2))'), ielem, i-1,j-1,k-1 !for undeformed configuration
|
|
! write(588, '(4(I10,tr2))'), ielem, i-1,j-1,k-1
|
|
enddo; enddo; enddo
|
|
|
|
write(589, '(2(A, /), I10)'), '$EndNodes', '$Elements', prodnn
|
|
write(588, '(2(A, /), I10)'), '$EndNodes', '$Elements', prodnn
|
|
|
|
do i = 1, prodnn
|
|
write(589, '(I10, A, I10)'), i, ' 15 2 1 2', i
|
|
write(588, '(I10, A, I10)'), i, ' 15 2 1 2', i
|
|
enddo
|
|
|
|
write(589, '(A)'), '$EndElements'
|
|
write(588, '(A)'), '$EndElements'
|
|
write(589, '(8(A, /), I10)'), '$NodeData', '1','"'//trim(adjustl('stress'//trim(adjustl(nrloadcase))//'-'//&
|
|
trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh'))//'"','1','0.0', '3', '0', '9', prodnn
|
|
write(588, '(8(A, /), I10)'), '$NodeData', '1','"'//trim(adjustl('disgrad'//trim(adjustl(nrloadcase))//'-'//&
|
|
trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh'))//'"','1','0.0', '3', '0', '9', prodnn
|
|
ielem = 0_pInt
|
|
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
|
ielem = ielem + 1
|
|
write(589, '(i10, 9(tr2, E14.8))'), ielem, cstress_field(i,j,:,:)
|
|
write(588, '(i10, 9(tr2, E14.8))'), ielem, defgrad(i,j,:,:) - math_I3
|
|
enddo; enddo; enddo
|
|
|
|
write(589, *), '$EndNodeData'
|
|
write(588, *), '$EndNodeData'
|
|
close(589); close(588)
|
|
enddo ! end looping over steps in current loadcase
|
|
enddo ! end looping over loadcases
|
|
close(539)
|
|
|
|
do i=1,3; do m = 1,3; do n = 1,3
|
|
call dfftw_destroy_plan(plan_fft(i,m,n))
|
|
enddo; enddo; enddo
|
|
|
|
end program mpie_spectral
|
|
|
|
!********************************************************************
|
|
! quit subroutine to satisfy IO_error
|
|
!
|
|
!********************************************************************
|
|
subroutine quit(id)
|
|
use prec
|
|
implicit none
|
|
|
|
integer(pInt) id
|
|
|
|
stop
|
|
end subroutine |