410 lines
24 KiB
Fortran
410 lines
24 KiB
Fortran
! Copyright 2012 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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!* $Id$
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!##################################################################################################
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! Material subroutine for BVP solution using spectral method
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!
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! Run 'DAMASK_spectral.exe --help' to get usage hints
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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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#include "spectral_quit.f90"
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program DAMASK_spectral
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use prec, only: &
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pInt, &
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pReal
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use IO, only: &
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IO_error,&
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IO_write_jobBinaryFile
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use math
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use FEsolving, only: &
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restartWrite, &
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restartInc
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use homogenization, only: &
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materialpoint_sizeResults, &
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materialpoint_results
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use DAMASK_spectralSovler
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implicit none
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!--------------------------------------------------------------------------------------------------
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! loop variables, convergence etc.
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integer(pInt) :: i, j, k, l, m, n, p, errorID
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call DAMASK_interface_init
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write(6,'(a)') ''
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write(6,'(a)') ' <<<+- DAMASK_spectral init -+>>>'
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write(6,'(a)') ' $Id$'
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#include "compilation_info.f90"
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write(6,'(a)') ' Working Directory: ',trim(getSolverWorkingDirectoryName())
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write(6,'(a)') ' Solver Job Name: ',trim(getSolverJobName())
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write(6,'(a)') ''
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!--------------------------------------------------------------------------------------------------
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! reading the load case file and allocate data structure containing load cases
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call IO_open_file(myUnit,trim(loadCaseFile))
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rewind(myUnit)
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do
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read(myUnit,'(a1024)',END = 100) line
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if (IO_isBlank(line)) cycle ! skip empty lines
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positions = IO_stringPos(line,maxNchunksLoadcase)
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do i = 1_pInt, maxNchunksLoadcase, 1_pInt ! reading compulsory parameters for loadcase
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select case (IO_lc(IO_stringValue(line,positions,i)))
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case('l','velocitygrad','velgrad','velocitygradient')
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N_l = N_l + 1_pInt
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case('fdot','dotf')
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N_Fdot = N_Fdot + 1_pInt
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case('t','time','delta')
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N_t = N_t + 1_pInt
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case('n','incs','increments','steps','logincs','logincrements','logsteps')
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N_n = N_n + 1_pInt
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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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enddo
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100 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(error_ID=837_pInt,ext_msg = trim(loadCaseFile)) ! error message for incomplete loadcase
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allocate (bc(N_Loadcases))
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!--------------------------------------------------------------------------------------------------
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! reading the load case and assign values to the allocated data structure
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rewind(myUnit)
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do
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read(myUnit,'(a1024)',END = 101) line
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if (IO_isBlank(line)) cycle ! skip empty lines
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loadcase = loadcase + 1_pInt
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positions = IO_stringPos(line,maxNchunksLoadcase)
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do j = 1_pInt,maxNchunksLoadcase
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select case (IO_lc(IO_stringValue(line,positions,j)))
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case('fdot','dotf','l','velocitygrad','velgrad','velocitygradient') ! assign values for the deformation BC matrix
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bc(loadcase)%velGradApplied = &
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(IO_lc(IO_stringValue(line,positions,j)) == 'l'.or. & ! in case of given L, set flag to true
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IO_lc(IO_stringValue(line,positions,j)) == 'velocitygrad'.or.&
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IO_lc(IO_stringValue(line,positions,j)) == 'velgrad'.or.&
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IO_lc(IO_stringValue(line,positions,j)) == 'velocitygradient')
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temp_valueVector = 0.0_pReal
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temp_maskVector = .false.
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forall (k = 1_pInt:9_pInt) temp_maskVector(k) = IO_stringValue(line,positions,j+k) /= '*'
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do k = 1_pInt,9_pInt
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if (temp_maskVector(k)) temp_valueVector(k) = IO_floatValue(line,positions,j+k)
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enddo
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bc(loadcase)%maskDeformation = transpose(reshape(temp_maskVector,[ 3,3]))
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bc(loadcase)%deformation = math_plain9to33(temp_valueVector)
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case('p','pk1','piolakirchhoff','stress')
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temp_valueVector = 0.0_pReal
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forall (k = 1_pInt:9_pInt) bc(loadcase)%maskStressVector(k) =&
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IO_stringValue(line,positions,j+k) /= '*'
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do k = 1_pInt,9_pInt
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if (bc(loadcase)%maskStressVector(k)) temp_valueVector(k) =&
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IO_floatValue(line,positions,j+k) ! assign values for the bc(loadcase)%stress matrix
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enddo
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bc(loadcase)%maskStress = transpose(reshape(bc(loadcase)%maskStressVector,[ 3,3]))
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bc(loadcase)%stress = math_plain9to33(temp_valueVector)
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case('t','time','delta') ! increment time
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bc(loadcase)%time = IO_floatValue(line,positions,j+1_pInt)
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case('temp','temperature') ! starting temperature
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bc(loadcase)%temperature = IO_floatValue(line,positions,j+1_pInt)
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case('n','incs','increments','steps') ! number of increments
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bc(loadcase)%incs = IO_intValue(line,positions,j+1_pInt)
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case('logincs','logincrements','logsteps') ! number of increments (switch to log time scaling)
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bc(loadcase)%incs = IO_intValue(line,positions,j+1_pInt)
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bc(loadcase)%logscale = 1_pInt
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case('f','freq','frequency','outputfreq') ! frequency of result writings
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bc(loadcase)%outputfrequency = IO_intValue(line,positions,j+1_pInt)
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case('r','restart','restartwrite') ! frequency of writing restart information
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bc(loadcase)%restartfrequency = max(0_pInt,IO_intValue(line,positions,j+1_pInt))
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case('guessreset','dropguessing')
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bc(loadcase)%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory
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case('euler') ! rotation of loadcase given in euler angles
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p = 0_pInt ! assuming values given in radians
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l = 1_pInt ! assuming keyword indicating degree/radians
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select case (IO_lc(IO_stringValue(line,positions,j+1_pInt)))
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case('deg','degree')
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p = 1_pInt ! for conversion from degree to radian
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case('rad','radian')
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case default
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l = 0_pInt ! immediately reading in angles, assuming radians
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end select
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forall(k = 1_pInt:3_pInt) temp33_Real(k,1) = &
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IO_floatValue(line,positions,j+l+k) * real(p,pReal) * inRad
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bc(loadcase)%rotation = math_EulerToR(temp33_Real(:,1))
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case('rotation','rot') ! assign values for the rotation of loadcase matrix
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temp_valueVector = 0.0_pReal
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forall (k = 1_pInt:9_pInt) temp_valueVector(k) = IO_floatValue(line,positions,j+k)
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bc(loadcase)%rotation = math_plain9to33(temp_valueVector)
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end select
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enddo; enddo
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101 close(myUnit)
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!-------------------------------------------------------------------------------------------------- ToDo: if temperature at CPFEM is treated properly, move this up immediately after interface init
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! initialization of all related DAMASK modules (e.g. mesh.f90 reads in geometry)
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call CPFEM_initAll(bc(1)%temperature,1_pInt,1_pInt)
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!--------------------------------------------------------------------------------------------------
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! get resolution, dimension, homogenization and variables derived from resolution
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res = mesh_spectral_getResolution()
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geomdim = mesh_spectral_getDimension()
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homog = mesh_spectral_getHomogenization()
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res1_red = res(1)/2_pInt + 1_pInt ! size of complex array in first dimension (c2r, r2c)
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Npoints = res(1)*res(2)*res(3)
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wgt = 1.0_pReal/real(Npoints, pReal)
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!--------------------------------------------------------------------------------------------------
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! output of geometry
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write(6,'(a)') ''
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write(6,'(a)') '#############################################################'
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write(6,'(a)') 'DAMASK spectral:'
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write(6,'(a)') 'The spectral method boundary value problem solver for'
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write(6,'(a)') 'the Duesseldorf Advanced Material Simulation Kit'
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write(6,'(a)') '#############################################################'
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write(6,'(a)') 'geometry file: ',trim(geometryFile)
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write(6,'(a)') '============================================================='
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write(6,'(a,3(i12 ))') 'resolution a b c:', res
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write(6,'(a,3(f12.5))') 'dimension x y z:', geomdim
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write(6,'(a,i5)') 'homogenization: ',homog
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write(6,'(a)') '#############################################################'
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write(6,'(a)') 'loadcase file: ',trim(loadCaseFile)
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!--------------------------------------------------------------------------------------------------
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! consistency checks and output of load case
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bc(1)%followFormerTrajectory = .false. ! cannot guess along trajectory for first inc of first loadcase
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errorID = 0_pInt
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do loadcase = 1_pInt, N_Loadcases
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write (loadcase_string, '(i6)' ) loadcase
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write(6,'(a)') '============================================================='
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write(6,'(a,i6)') 'loadcase: ', loadcase
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if (.not. bc(loadcase)%followFormerTrajectory) write(6,'(a)') 'drop guessing along trajectory'
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if (bc(loadcase)%velGradApplied) then
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do j = 1_pInt, 3_pInt
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if (any(bc(loadcase)%maskDeformation(j,1:3) .eqv. .true.) .and. &
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any(bc(loadcase)%maskDeformation(j,1:3) .eqv. .false.)) errorID = 832_pInt ! each row should be either fully or not at all defined
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enddo
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write(6,'(a)')'velocity gradient:'
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else
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write(6,'(a)')'deformation gradient rate:'
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endif
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write (6,'(3(3(f12.7,1x)/))',advance='no') merge(math_transpose33(bc(loadcase)%deformation),&
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reshape(spread(DAMASK_NaN,1,9),[ 3,3]),transpose(bc(loadcase)%maskDeformation))
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write (6,'(a,/,3(3(f12.7,1x)/))',advance='no') ' stress / GPa:',&
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1e-9_pReal*merge(math_transpose33(bc(loadcase)%stress),&
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reshape(spread(DAMASK_NaN,1,9),[ 3,3]),transpose(bc(loadcase)%maskStress))
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if (any(bc(loadcase)%rotation /= math_I3)) &
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write (6,'(a,/,3(3(f12.7,1x)/))',advance='no') ' rotation of loadframe:',&
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math_transpose33(bc(loadcase)%rotation)
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write(6,'(a,f12.6)') 'temperature:', bc(loadcase)%temperature
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write(6,'(a,f12.6)') 'time: ', bc(loadcase)%time
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write(6,'(a,i5)') 'increments: ', bc(loadcase)%incs
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write(6,'(a,i5)') 'output frequency: ', bc(loadcase)%outputfrequency
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write(6,'(a,i5)') 'restart frequency: ', bc(loadcase)%restartfrequency
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if (any(bc(loadcase)%maskStress .eqv. bc(loadcase)%maskDeformation)) errorID = 831_pInt ! exclusive or masking only
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if (any(bc(loadcase)%maskStress .and. transpose(bc(loadcase)%maskStress) .and. &
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reshape([ .false.,.true.,.true.,.true.,.false.,.true.,.true.,.true.,.false.],[ 3,3]))) &
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errorID = 838_pInt ! no rotation is allowed by stress BC
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if (any(abs(math_mul33x33(bc(loadcase)%rotation,math_transpose33(bc(loadcase)%rotation))&
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-math_I3) > reshape(spread(rotation_tol,1,9),[ 3,3]))&
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.or. abs(math_det33(bc(loadcase)%rotation)) > 1.0_pReal + rotation_tol)&
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errorID = 846_pInt ! given rotation matrix contains strain
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if (bc(loadcase)%time < 0.0_pReal) errorID = 834_pInt ! negative time increment
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if (bc(loadcase)%incs < 1_pInt) errorID = 835_pInt ! non-positive incs count
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if (bc(loadcase)%outputfrequency < 1_pInt) errorID = 836_pInt ! non-positive result frequency
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if (errorID > 0_pInt) call IO_error(error_ID = errorID, ext_msg = loadcase_string)
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enddo
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!##################################################################################################
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! Loop over loadcases defined in the loadcase file
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!##################################################################################################
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do loadcase = 1_pInt, N_Loadcases
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time0 = time ! loadcase start time
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if (bc(loadcase)%followFormerTrajectory .and. &
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(restartInc < totalIncsCounter .or. &
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restartInc > totalIncsCounter+bc(loadcase)%incs) ) then ! continue to guess along former trajectory where applicable
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guessmode = 1.0_pReal
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else
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guessmode = 0.0_pReal ! change of load case, homogeneous guess for the first inc
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endif
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!--------------------------------------------------------------------------------------------------
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! arrays for mixed boundary conditions
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mask_defgrad = merge(ones,zeroes,bc(loadcase)%maskDeformation)
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mask_stress = merge(ones,zeroes,bc(loadcase)%maskStress)
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size_reduced = int(count(bc(loadcase)%maskStressVector), pInt)
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allocate (c_reduced(size_reduced,size_reduced), source =0.0_pReal)
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allocate (s_reduced(size_reduced,size_reduced), source =0.0_pReal)
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!##################################################################################################
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! loop oper incs defined in input file for current loadcase
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!##################################################################################################
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do inc = 1_pInt, bc(loadcase)%incs
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totalIncsCounter = totalIncsCounter + 1_pInt
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!--------------------------------------------------------------------------------------------------
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! forwarding time
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timeinc_old = timeinc
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if (bc(loadcase)%logscale == 0_pInt) then ! linear scale
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timeinc = bc(loadcase)%time/bc(loadcase)%incs ! only valid for given linear time scale. will be overwritten later in case loglinear scale is used
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else
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if (loadcase == 1_pInt) then ! 1st loadcase of logarithmic scale
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if (inc == 1_pInt) then ! 1st inc of 1st loadcase of logarithmic scale
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timeinc = bc(1)%time*(2.0_pReal**real( 1_pInt-bc(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd
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else ! not-1st inc of 1st loadcase of logarithmic scale
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timeinc = bc(1)%time*(2.0_pReal**real(inc-1_pInt-bc(1)%incs ,pReal))
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endif
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else ! not-1st loadcase of logarithmic scale
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timeinc = time0 *( (1.0_pReal + bc(loadcase)%time/time0 )**(real( inc,pReal)/&
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real(bc(loadcase)%incs ,pReal))&
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-(1.0_pReal + bc(loadcase)%time/time0 )**(real( (inc-1_pInt),pReal)/&
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real(bc(loadcase)%incs ,pReal)) )
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endif
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endif
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time = time + timeinc
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if(totalIncsCounter >= restartInc) then ! do calculations (otherwise just forwarding)
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if (bc(loadcase)%velGradApplied) then ! calculate deltaF_aim from given L and current F
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deltaF_aim = timeinc * mask_defgrad * math_mul33x33(bc(loadcase)%deformation, F_aim)
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else ! deltaF_aim = fDot *timeinc where applicable
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deltaF_aim = timeinc * mask_defgrad * bc(loadcase)%deformation
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endif
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!--------------------------------------------------------------------------------------------------
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! winding forward of deformation aim in loadcase system
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temp33_Real = F_aim
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F_aim = F_aim &
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+ guessmode * mask_stress * (F_aim - F_aim_lastInc)*timeinc/timeinc_old &
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+ deltaF_aim
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F_aim_lastInc = temp33_Real
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!--------------------------------------------------------------------------------------------------
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! update local deformation gradient and coordinates
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deltaF_aim = math_rotate_backward33(deltaF_aim,bc(loadcase)%rotation)
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call
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call deformed_fft(res,geomdim,math_rotate_backward33(F_aim,bc(loadcase)%rotation),& ! calculate current coordinates
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1.0_pReal,F_lastInc,coordinates)
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!--------------------------------------------------------------------------------------------------
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! calculate reduced compliance
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if(size_reduced > 0_pInt) then ! calculate compliance in case stress BC is applied
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C_lastInc = math_rotate_forward3333(C,bc(loadcase)%rotation) ! calculate stiffness from former inc
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temp99_Real = math_Plain3333to99(C_lastInc)
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k = 0_pInt ! build reduced stiffness
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do n = 1_pInt,9_pInt
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if(bc(loadcase)%maskStressVector(n)) then
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k = k + 1_pInt
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j = 0_pInt
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do m = 1_pInt,9_pInt
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if(bc(loadcase)%maskStressVector(m)) then
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j = j + 1_pInt
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c_reduced(k,j) = temp99_Real(n,m)
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endif; enddo; endif; enddo
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call math_invert(size_reduced, c_reduced, s_reduced, i, errmatinv) ! invert reduced stiffness
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if(errmatinv) call IO_error(error_ID=400_pInt)
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temp99_Real = 0.0_pReal ! build full compliance
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k = 0_pInt
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do n = 1_pInt,9_pInt
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if(bc(loadcase)%maskStressVector(n)) then
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k = k + 1_pInt
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j = 0_pInt
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do m = 1_pInt,9_pInt
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if(bc(loadcase)%maskStressVector(m)) then
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j = j + 1_pInt
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temp99_Real(n,m) = s_reduced(k,j)
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endif; enddo; endif; enddo
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S_lastInc = (math_Plain99to3333(temp99_Real))
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endif
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!--------------------------------------------------------------------------------------------------
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! report begin of new increment
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write(6,'(a)') '##################################################################'
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write(6,'(A,I5.5,A,es12.5)') 'Increment ', totalIncsCounter, ' Time ',time
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guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase
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iter = 0_pInt
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err_div = huge(err_div_tol) ! go into loop
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converged = solution(mySolver,ForwardFields(solver,deltaF_aim,timeinc/timeinc_old,guessmode))
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CPFEM_mode = 1_pInt ! winding forward
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C = C * wgt
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write(6,'(a)') ''
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write(6,'(a)') '=================================================================='
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if(err_div > err_div_tol .or. err_stress > err_stress_tol) then
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write(6,'(A,I5.5,A)') 'increment ', totalIncsCounter, ' NOT converged'
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notConvergedCounter = notConvergedCounter + 1_pInt
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else
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convergedCounter = convergedCounter + 1_pInt
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write(6,'(A,I5.5,A)') 'increment ', totalIncsCounter, ' converged'
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endif
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if (mod(inc,bc(loadcase)%outputFrequency) == 0_pInt) then ! at output frequency
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write(6,'(a)') ''
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write(6,'(a)') '... writing results to file ......................................'
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write(538) materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:Npoints) ! write result to file
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flush(538)
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endif
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if( bc(loadcase)%restartFrequency > 0_pInt .and. &
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mod(inc,bc(loadcase)%restartFrequency) == 0_pInt) then ! at frequency of writing restart information set restart parameter for FEsolving (first call to CPFEM_general will write ToDo: true?)
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restartInc=totalIncsCounter
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restartWrite = .true.
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write(6,'(a)') 'writing converged results for restart'
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call IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(F)) ! writing deformation gradient field to file
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|
write (777,rec=1) F
|
|
close (777)
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|
call IO_write_jobBinaryFile(777,'C',size(C))
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|
write (777,rec=1) C
|
|
close(777)
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|
endif
|
|
|
|
endif ! end calculation/forwarding
|
|
enddo ! end looping over incs in current loadcase
|
|
deallocate(c_reduced)
|
|
deallocate(s_reduced)
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|
enddo ! end looping over loadcases
|
|
write(6,'(a)') ''
|
|
write(6,'(a)') '##################################################################'
|
|
write(6,'(i6.6,a,i6.6,a,f5.1,a)') convergedCounter, ' out of ', &
|
|
notConvergedCounter + convergedCounter, ' (', &
|
|
real(convergedCounter, pReal)/&
|
|
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, &
|
|
' %) increments converged!'
|
|
close(538)
|
|
if (notConvergedCounter > 0_pInt) call quit(3_pInt)
|
|
call quit(0_pInt)
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|
end program DAMASK_spectral
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