further modularisation of spectral solver (only for basic scheme so far)
This commit is contained in:
Martin Diehl
parent
2d2c6b51b4
commit
3d59fec305
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@ -84,12 +84,27 @@ program DAMASK_spectralDriver
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materialpoint_sizeResults, &
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materialpoint_results
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use DAMASK_spectralSolver !, only: &
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!solution, &
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!solution_t
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use DAMASK_spectralSolver
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implicit none
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type bc_type
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real(pReal), dimension (3,3) :: deformation = 0.0_pReal, & ! applied velocity gradient or time derivative of deformation gradient
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stress = 0.0_pReal, & ! stress BC (if applicable)
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rotation = math_I3 ! rotation of BC (if applicable)
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real(pReal) :: time = 0.0_pReal, & ! length of increment
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temperature = 300.0_pReal ! isothermal starting conditions
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integer(pInt) :: incs = 0_pInt, & ! number of increments
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outputfrequency = 1_pInt, & ! frequency of result writes
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restartfrequency = 0_pInt, & ! frequency of restart writes
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logscale = 0_pInt ! linear/logaritmic time inc flag
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logical :: followFormerTrajectory = .true., & ! follow trajectory of former loadcase
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velGradApplied = .false. ! decide wether velocity gradient or fdot is given
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logical, dimension(3,3) :: maskDeformation = .false., & ! mask of deformation boundary conditions
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maskStress = .false. ! mask of stress boundary conditions
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logical, dimension(9) :: maskStressVector = .false. ! linear mask of boundary conditions
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end type
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!--------------------------------------------------------------------------------------------------
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! variables related to information from load case and geom file
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real(pReal), dimension(9) :: &
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@ -107,38 +122,25 @@ program DAMASK_spectralDriver
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N_l = 0_pInt, &
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N_t = 0_pInt, &
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N_n = 0_pInt, &
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N_Fdot = 0_pInt, &
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Npoints ! number of Fourier points
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N_Fdot = 0_pInt ! number of Fourier points
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character(len=1024) :: &
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line
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type(bc_type), allocatable, dimension(:) :: bc
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type(solution_t) solres
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type(init) initres
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!--------------------------------------------------------------------------------------------------
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! BC related information
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real(pReal), dimension(3,3) :: &
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F_aim = math_I3, &
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F_aim_lastInc = math_I3, &
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mask_stress, &
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mask_defgrad, &
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deltaF_aim
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!--------------------------------------------------------------------------------------------------
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! loop variables, convergence etc.
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real(pReal) :: time = 0.0_pReal, time0 = 0.0_pReal, timeinc = 1.0_pReal, timeinc_old = 0.0_pReal ! elapsed time, begin of interval, time interval
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real(pReal) :: guessmode
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real(pReal), dimension(3,3), parameter :: ones = 1.0_pReal, zeroes = 0.0_pReal
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real(pReal), dimension(3,3) :: temp33_Real
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integer(pInt) :: i, j, k, p, errorID
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integer(pInt) :: i, j, k, q, errorID
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integer(pInt) :: N_Loadcases, loadcase = 0_pInt, inc, &
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totalIncsCounter = 0_pInt,&
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notConvergedCounter = 0_pInt, convergedCounter = 0_pInt
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character(len=6) :: loadcase_string
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character(len=6) :: loadcase_string
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call DAMASK_interface_init
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write(6,'(a)') ''
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@ -227,17 +229,17 @@ program DAMASK_spectralDriver
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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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q = 0_pInt ! assuming values given in radians
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k = 1_pInt ! assuming keyword indicating degree/radians
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select case (IO_lc(IO_stringValue(line,positions,i+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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q = 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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k = 0_pInt ! immediately reading in angles, assuming radians
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end select
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forall(j = 1_pInt:3_pInt) temp33_Real(j,1) = &
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IO_floatValue(line,positions,i+k+j) * real(p,pReal) * inRad
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IO_floatValue(line,positions,i+k+j) * real(q,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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@ -315,14 +317,6 @@ program DAMASK_spectralDriver
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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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!!!!!!!!!!!!!!!
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!!!!!!!!!!!!!!!
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initres = solverInit('AL')
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F_aim = initres%F_init
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!!!!!!!!!!!!!!
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!!!!!!!!!!!!!!
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!--------------------------------------------------------------------------------------------------
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! write header of output file
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if (appendToOutFile) then
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@ -347,6 +341,9 @@ program DAMASK_spectralDriver
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write(538) materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:Npoints) ! initial (non-deformed or read-in) results
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if (debugGeneral) write(6,'(a)') 'Header of result file written out'
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endif
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call Solver_Init()
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!##################################################################################################
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! Loop over loadcases defined in the loadcase file
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!##################################################################################################
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@ -386,28 +383,20 @@ program DAMASK_spectralDriver
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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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! 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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solres = solution('AL')
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!converged = solution(mySolver,ForwardFields(solver,deltaF_aim,timeinc/timeinc_old,guessmode, restartWrite))
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solres =solution (&
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guessmode,timeinc,timeinc_old, &
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P_BC = bc(loadcase)%stress, &
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F_BC = bc(loadcase)%deformation, &
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! temperature_bc = bc(loadcase)%temperature, &
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mask_stressVector = bc(loadcase)%maskStressVector, &
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velgrad = bc(loadcase)%velGradApplied, &
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rotation_BC = bc(loadcase)%rotation)
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write(6,'(a)') ''
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write(6,'(a)') '=================================================================='
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@ -443,6 +432,10 @@ program DAMASK_spectralDriver
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end program DAMASK_spectralDriver
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!1
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subroutine quit(stop_id)
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use prec, only: &
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pInt
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@ -52,63 +52,81 @@ module DAMASK_spectralSolver
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debug_spectralRestart, &
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debug_spectralFFTW
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use IO
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use CPFEM, only: &
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CPFEM_general
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use numerics, only: &
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memory_efficient
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implicit none
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type solution_t ! mask of stress boundary conditions
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logical :: converged = .false.
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logical :: regrid = .false.
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logical :: term_ill = .false.
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end type solution_t
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type init
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real(pReal), dimension(3,3) :: F_init
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end type init
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character(len=5) :: solverType, parameter = 'basic'
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type bc_type
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real(pReal), dimension (3,3) :: deformation = 0.0_pReal, & ! applied velocity gradient or time derivative of deformation gradient
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stress = 0.0_pReal, & ! stress BC (if applicable)
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rotation = math_I3 ! rotation of BC (if applicable)
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real(pReal) :: time = 0.0_pReal, & ! length of increment
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temperature = 300.0_pReal ! isothermal starting conditions
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integer(pInt) :: incs = 0_pInt, & ! number of increments
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outputfrequency = 1_pInt, & ! frequency of result writes
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restartfrequency = 0_pInt, & ! frequency of restart writes
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logscale = 0_pInt ! linear/logaritmic time inc flag
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logical :: followFormerTrajectory = .true., & ! follow trajectory of former loadcase
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velGradApplied = .false. ! decide wether velocity gradient or fdot is given
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logical, dimension(3,3) :: maskDeformation = .false., & ! mask of deformation boundary conditions
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maskStress = .false. ! mask of stress boundary conditions
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logical, dimension(9) :: maskStressVector = .false. ! linear mask of boundary conditions
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end type
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real(pReal), dimension(:,:,:,:,:), allocatable :: F, F_lastInc
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real(pReal), dimension(:,:,:,:,:), allocatable :: F, F_lastInc,P
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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(:,:,:,:,:), pointer :: P_real, deltaF_real ! field in real space (pointer)
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complex(pReal), dimension(:,:,:,:,:), pointer :: P_fourier,deltaF_fourier ! field in fourier space (pointer)
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!--------------------------------------------------------------------------------------------------
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! variables storing information for spectral method and FFTW
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type(C_PTR) :: plan_forward, plan_backward ! plans for fftw
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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 for divergence and for gamma operator
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real(pReal), dimension(:,:,:,:,:), pointer :: field_real
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complex(pReal), dimension(:,:,:,:,:), pointer :: field_fourier
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complex(pReal), dimension(:,:,:), pointer :: scalarField_real
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!--------------------------------------------------------------------------------------------------
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! debug fftw
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type(C_PTR) :: plan_scalarField_forth, plan_scalarField_back
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complex(pReal), dimension(:,:,:), pointer :: scalarField_real
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complex(pReal), dimension(:,:,:), pointer :: scalarField_fourier
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!--------------------------------------------------------------------------------------------------
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! variables for additional output of divergence calculations
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type(C_PTR) :: divergence, plan_divergence, plan_correction
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!--------------------------------------------------------------------------------------------------
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! debug divergence
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type(C_PTR) :: plan_divergence
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real(pReal), dimension(:,:,:,:), pointer :: divergence_real
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complex(pReal), dimension(:,:,:,:), pointer :: divergence_fourier
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real(pReal), dimension(:,:,:,:), allocatable :: divergence_post
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contains
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type(init) function solverInit(solver,restartInc,loadcase)
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!--------------------------------------------------------------------------------------------------
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!variables controlling debugging
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logical :: debugGeneral, debugDivergence, debugRestart, debugFFTW
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!--------------------------------------------------------------------------------------------------
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! variables storing information for spectral method and FFTW
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type(C_PTR) :: plan_stress, plan_correction ! plans for fftw
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!--------------------------------------------------------------------------------------------------
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! stress, stiffness and compliance average etc.
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real(pReal), dimension(3,3) :: &
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F_aim = math_I3, &
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F_aim_lastInc = math_I3
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real(pReal), dimension(3,3,3,3) :: &
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C_ref = 0.0_pReal, &
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C = 0.0_pReal
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real(pReal), dimension(3) :: geomdim = 0.0_pReal, virt_dim = 0.0_pReal ! physical dimension of volume element per direction
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integer(pInt), dimension(3) :: res = 1_pInt
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real(pReal) :: wgt
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integer(pInt) :: res1_red, Npoints
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contains
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subroutine Solver_Init()
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use mesh, only : &
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mesh_spectral_getResolution, &
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mesh_spectral_getDimension
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use CPFEM, only: &
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CPFEM_general
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use numerics, only: &
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memory_efficient, &
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divergence_correction, &
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DAMASK_NumThreadsInt, &
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fftw_planner_flag, &
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@ -120,94 +138,30 @@ type(init) function solverInit(solver,restartInc,loadcase)
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debug_levelBasic, &
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debug_spectralDivergence, &
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debug_spectralRestart, &
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debug_spectralFFTW, &
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debug_reset, &
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debug_info
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debug_spectralFFTW
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use FEsolving, only: &
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restartInc
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implicit none
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real(pReal) :: restartInc
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character(len=*) :: solver
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integer(pInt) :: &
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Npoints,& ! number of Fourier points
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homog, & ! homogenization scheme used
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res1_red
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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! loop variables, convergence etc.
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real(pReal), dimension(3,3), parameter :: ones = 1.0_pReal, zeroes = 0.0_pReal
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complex(pReal), dimension(3) :: temp3_Complex
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complex(pReal), dimension(3,3) :: temp33_Complex
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real(pReal), dimension(3,3) :: temp33_Real
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integer(pInt) :: i, j, k, l, m, n, p, errorID
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integer(pInt) :: inc, iter, ielem, CPFEM_mode=1_pInt, &
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ierr
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logical :: errmatinv
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real(pReal) :: defgradDet
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!--------------------------------------------------------------------------------------------------
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! stress, stiffness and compliance average etc.
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real(pReal), dimension(3,3) :: &
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P_av, &
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F_aim = math_I3, &
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F_aim_lastInc = math_I3, &
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mask_stress, &
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mask_defgrad, &
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deltaF_aim, &
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F_aim_lab, &
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F_aim_lab_lastIter, &
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P_av_lab
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real(pReal), dimension(3,3,3,3) :: &
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dPdF, &
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C_ref = 0.0_pReal, &
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C = 0.0_pReal, &
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S_lastInc, &
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C_lastInc
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!--------------------------------------------------------------------------------------------------
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! pointwise data
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type(C_PTR) :: tensorField ! field in real an fourier space
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type(bc_type) :: loadcase ! field in real an fourier space
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real(pReal), dimension(3,3) :: temp33_Real
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integer(pInt) :: i, j, k, l, m, n, q, ielem
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real(pReal), dimension(3,3,3,3) :: dPdF
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!--------------------------------------------------------------------------------------------------
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! variables storing information for spectral method and FFTW
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type(C_PTR) :: plan_stress, plan_backward ! plans for fftw
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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 for divergence and for gamma operator
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integer(pInt), dimension(3) :: k_s
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type(C_PTR) :: tensorField ! field in real and fourier space
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type(C_PTR) :: scalarField_realC, scalarField_fourierC
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type(C_PTR) :: divergence
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real(pReal), dimension(6) :: sigma ! cauchy stress
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real(pReal), dimension(6,6) :: dsde
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integer(pInt), dimension(3) :: k_s
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real(pReal) :: wgt
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real(pReal), dimension(3) :: geomdim = 0.0_pReal, virt_dim = 0.0_pReal ! physical dimension of volume element per direction
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integer(pInt), dimension(3) :: res = 1_pInt
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!--------------------------------------------------------------------------------------------------
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! pointwise data ! field in real an fourier space
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real(pReal), dimension(:,:,:,:,:), pointer :: P_real, deltaF_real ! field in real space (pointer)
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complex(pReal), dimension(:,:,:,:,:), pointer :: P_fourier,deltaF_fourier ! field in fourier space (pointer)
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!--------------------------------------------------------------------------------------------------
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!variables controlling debugging
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logical :: debugGeneral, debugDivergence, debugRestart, debugFFTW
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!--------------------------------------------------------------------------------------------------
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! variables for debugging fft using a scalar field
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type(C_PTR) :: scalarField_realC, scalarField_fourierC,&
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plan_scalarField_forth, plan_scalarField_back
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complex(pReal), dimension(:,:,:), pointer :: scalarField_real
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complex(pReal), dimension(:,:,:), pointer :: scalarField_fourier
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integer(pInt) :: row, column
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if (solver == 'AL') solverInit%F_init=1.0_pReal
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real(pReal), dimension(6) :: sigma ! cauchy stress
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real(pReal), dimension(6,6) :: dsde
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integer(pInt) :: ierr
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write(6,'(a)') ''
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write(6,'(a)') ' <<<+- DAMASK_spectralSolver init -+>>>'
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@ -216,7 +170,7 @@ type(init) function solverInit(solver,restartInc,loadcase)
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write(6,'(a)') ''
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!--------------------------------------------------------------------------------------------------
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! debugging parameters
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! set debugging parameters
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debugGeneral = iand(debug_level(debug_spectral),debug_levelBasic) /= 0
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debugDivergence = iand(debug_level(debug_spectral),debug_spectralDivergence) /= 0
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debugRestart = iand(debug_level(debug_spectral),debug_spectralRestart) /= 0
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@ -225,13 +179,21 @@ type(init) function solverInit(solver,restartInc,loadcase)
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!##################################################################################################
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! initialization
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!##################################################################################################
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res = mesh_spectral_getResolution()
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geomdim = mesh_spectral_getDimension()
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res1_red = res(1)/2_pInt + 1_pInt
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Npoints = res(1)*res(2)*res(3)
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wgt = 1.0/real(Npoints,pReal)
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allocate (F ( res(1), res(2),res(3),3,3), source = 0.0_pReal)
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allocate (F_lastInc ( res(1), res(2),res(3),3,3), source = 0.0_pReal)
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allocate (P ( res(1), res(2),res(3),3,3), source = 0.0_pReal)
|
||||
allocate (xi (3,res1_red,res(2),res(3)), source = 0.0_pReal)
|
||||
allocate (coordinates( res(1), res(2),res(3),3), source = 0.0_pReal)
|
||||
allocate (temperature( res(1), res(2),res(3)), source = loadcase%temperature) ! start out isothermally
|
||||
allocate (temperature( res(1), res(2),res(3)), source = 0.0_pReal) ! start out isothermally
|
||||
tensorField = fftw_alloc_complex(int(res1_red*res(2)*res(3)*9_pInt,C_SIZE_T)) ! allocate continous data using a C function, C_SIZE_T is of type integer(8)
|
||||
call c_f_pointer(tensorField, field_real, [ res(1)+2_pInt,res(2),res(3),3,3]) ! place a pointer for a real representation on tensorField
|
||||
call c_f_pointer(tensorField, field_fourier, [ res1_red, res(2),res(3),3,3]) ! place a pointer for a complex representation on tensorField
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! general initialization of fftw (see manual on fftw.org for more details)
|
||||
|
|
@ -245,16 +207,16 @@ type(init) function solverInit(solver,restartInc,loadcase)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! creating plans
|
||||
plan_stress = fftw_plan_many_dft_r2c(3,[ res(3),res(2) ,res(1)],9,& ! dimensions , length in each dimension in reversed order
|
||||
P_real,[ res(3),res(2) ,res(1)+2_pInt],& ! input data , physical length in each dimension in reversed order
|
||||
plan_forward = fftw_plan_many_dft_r2c(3,[ res(3),res(2) ,res(1)],9,& ! dimensions , length in each dimension in reversed order
|
||||
field_real,[ res(3),res(2) ,res(1)+2_pInt],& ! input data , physical length in each dimension in reversed order
|
||||
1, res(3)*res(2)*(res(1)+2_pInt),& ! striding , product of physical lenght in the 3 dimensions
|
||||
P_fourier,[ res(3),res(2) ,res1_red],&
|
||||
field_fourier,[ res(3),res(2) ,res1_red],&
|
||||
1, res(3)*res(2)* res1_red,fftw_planner_flag)
|
||||
|
||||
plan_correction =fftw_plan_many_dft_c2r(3,[ res(3),res(2) ,res(1)],9,&
|
||||
deltaF_fourier,[ res(3),res(2) ,res1_red],&
|
||||
plan_backward =fftw_plan_many_dft_c2r(3,[ res(3),res(2) ,res(1)],9,&
|
||||
field_fourier,[ res(3),res(2) ,res1_red],&
|
||||
1, res(3)*res(2)* res1_red,&
|
||||
deltaF_real,[ res(3),res(2) ,res(1)+2_pInt],&
|
||||
field_real,[ res(3),res(2) ,res(1)+2_pInt],&
|
||||
1, res(3)*res(2)*(res(1)+2_pInt),fftw_planner_flag)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -284,27 +246,6 @@ type(init) function solverInit(solver,restartInc,loadcase)
|
|||
|
||||
if (debugGeneral) write(6,'(a)') 'FFTW initialized'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculation of discrete angular frequencies, ordered as in FFTW (wrap around)
|
||||
if (divergence_correction) then
|
||||
do i = 1_pInt, 3_pInt
|
||||
if (i /= minloc(geomdim,1) .and. i /= maxloc(geomdim,1)) virt_dim = geomdim/geomdim(i)
|
||||
enddo
|
||||
else
|
||||
virt_dim = geomdim
|
||||
endif
|
||||
|
||||
do k = 1_pInt, res(3)
|
||||
k_s(3) = k - 1_pInt
|
||||
if(k > res(3)/2_pInt + 1_pInt) k_s(3) = k_s(3) - res(3)
|
||||
do j = 1_pInt, res(2)
|
||||
k_s(2) = j - 1_pInt
|
||||
if(j > res(2)/2_pInt + 1_pInt) k_s(2) = k_s(2) - res(2)
|
||||
do i = 1_pInt, res1_red
|
||||
k_s(1) = i - 1_pInt
|
||||
xi(1:3,i,j,k) = real(k_s, pReal)/virt_dim
|
||||
enddo; enddo; enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! in case of no restart get reference material stiffness and init fields to no deformation
|
||||
if (restartInc == 1_pInt) then
|
||||
|
|
@ -315,7 +256,7 @@ type(init) function solverInit(solver,restartInc,loadcase)
|
|||
F_lastInc(i,j,k,1:3,1:3) = math_I3
|
||||
coordinates(i,j,k,1:3) = geomdim/real(res,pReal)*real([i,j,k],pReal) - geomdim/real(2_pInt*res,pReal)
|
||||
call CPFEM_general(2_pInt,coordinates(i,j,k,1:3),math_I3,math_I3,temperature(i,j,k),&
|
||||
0.0_pReal,ielem,1_pInt,sigma,dsde,P_real(i,j,k,1:3,1:3),dPdF)
|
||||
0.0_pReal,ielem,1_pInt,sigma,dsde,P(i,j,k,1:3,1:3),dPdF)
|
||||
C = C + dPdF
|
||||
enddo; enddo; enddo
|
||||
C = C * wgt
|
||||
|
|
@ -347,10 +288,29 @@ type(init) function solverInit(solver,restartInc,loadcase)
|
|||
call IO_read_jobBinaryFile(777,'C',trim(getSolverJobName()),size(C))
|
||||
read (777,rec=1) C
|
||||
close (777)
|
||||
CPFEM_mode = 2_pInt
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculation of discrete angular frequencies, ordered as in FFTW (wrap around)
|
||||
if (divergence_correction) then
|
||||
do i = 1_pInt, 3_pInt
|
||||
if (i /= minloc(geomdim,1) .and. i /= maxloc(geomdim,1)) virt_dim = geomdim/geomdim(i)
|
||||
enddo
|
||||
else
|
||||
virt_dim = geomdim
|
||||
endif
|
||||
|
||||
do k = 1_pInt, res(3)
|
||||
k_s(3) = k - 1_pInt
|
||||
if(k > res(3)/2_pInt + 1_pInt) k_s(3) = k_s(3) - res(3)
|
||||
do j = 1_pInt, res(2)
|
||||
k_s(2) = j - 1_pInt
|
||||
if(j > res(2)/2_pInt + 1_pInt) k_s(2) = k_s(2) - res(2)
|
||||
do i = 1_pInt, res1_red
|
||||
k_s(1) = i - 1_pInt
|
||||
xi(1:3,i,j,k) = real(k_s, pReal)/virt_dim
|
||||
enddo; enddo; enddo
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate the gamma operator
|
||||
if(memory_efficient) then ! allocate just single fourth order tensor
|
||||
allocate (gamma_hat(1,1,1,3,3,3,3), source = 0.0_pReal)
|
||||
|
|
@ -363,18 +323,18 @@ type(init) function solverInit(solver,restartInc,loadcase)
|
|||
forall(l = 1_pInt:3_pInt, m = 1_pInt:3_pInt) &
|
||||
temp33_Real(l,m) = sum(C_ref(l,m,1:3,1:3)*xiDyad)
|
||||
temp33_Real = math_inv33(temp33_Real)
|
||||
forall(l=1_pInt:3_pInt, m=1_pInt:3_pInt, n=1_pInt:3_pInt, p=1_pInt:3_pInt)&
|
||||
gamma_hat(i,j,k, l,m,n,p) = temp33_Real(l,n)*xiDyad(m,p)
|
||||
forall(l=1_pInt:3_pInt, m=1_pInt:3_pInt, n=1_pInt:3_pInt, q=1_pInt:3_pInt)&
|
||||
gamma_hat(i,j,k, l,m,n,q) = temp33_Real(l,n)*xiDyad(m,q)
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
gamma_hat(1,1,1, 1:3,1:3,1:3,1:3) = 0.0_pReal ! singular point at xi=(0.0,0.0,0.0) i.e. i=j=k=1
|
||||
endif
|
||||
|
||||
end function solverInit
|
||||
end subroutine Solver_Init
|
||||
|
||||
|
||||
|
||||
type(solution_t) function solution(solver,load,restartWrite)
|
||||
type(solution_t) function solution(guessmode,timeinc,timeinc_old,P_BC,F_BC,mask_stressVector,velgrad,rotation_BC)
|
||||
|
||||
use numerics, only: &
|
||||
err_div_tol, &
|
||||
|
|
@ -383,116 +343,120 @@ type(init) function solverInit(solver,restartInc,loadcase)
|
|||
rotation_tol, &
|
||||
itmax,&
|
||||
itmin, &
|
||||
memory_efficient, &
|
||||
divergence_correction, &
|
||||
DAMASK_NumThreadsInt, &
|
||||
fftw_planner_flag, &
|
||||
fftw_timelimit
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
use debug, only: &
|
||||
debug_reset, &
|
||||
debug_info
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! arrays for mixed boundary conditions
|
||||
logical restartWrite
|
||||
character(len=*) :: solver
|
||||
type(bc_type) :: load
|
||||
real(pReal) :: pstress_av_L2, err_div_RMS, err_real_div_RMS, err_post_div_RMS,&
|
||||
err_div_max, err_real_div_max
|
||||
|
||||
|
||||
real(pReal), dimension(3,3), parameter :: ones = 1.0_pReal, zeroes = 0.0_pReal
|
||||
complex(pReal), dimension(3) :: temp3_complex
|
||||
complex(pReal), dimension(3,3) :: temp33_complex
|
||||
|
||||
integer(pInt) :: size_reduced = 0_pInt
|
||||
real(pReal), dimension(:,:), allocatable :: s_reduced, c_reduced ! reduced compliance and stiffness (only for stress BC)
|
||||
real(pReal), dimension(6) :: sigma ! cauchy stress
|
||||
real(pReal), dimension(6,6) :: dsde
|
||||
real(pReal), dimension(9,9) :: temp99_Real ! compliance and stiffness in matrix notation
|
||||
|
||||
integer(pInt) :: Npoints
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! pointwise data
|
||||
type(C_PTR) :: tensorField ! field in real an fourier space
|
||||
real(pReal), dimension(:,:,:,:,:), pointer :: P_real, deltaF_real ! field in real space (pointer)
|
||||
|
||||
complex(pReal), dimension(:,:,:,:,:), pointer :: P_fourier,deltaF_fourier ! field in fourier space (pointer)
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! variables storing information for spectral method and FFTW
|
||||
type(C_PTR) :: plan_stress, plan_correction ! plans for fftw
|
||||
real(pReal), dimension(3,3) :: xiDyad ! product of wave vectors
|
||||
real(pReal), dimension(:,:,:,:,:,:,:), allocatable :: gamma_hat ! gamma operator (field) for spectral method
|
||||
real(pReal), dimension(:,:,:,:), allocatable :: xi ! wave vector field for divergence and for gamma operator
|
||||
integer(pInt), dimension(3) :: k_s, res
|
||||
real(pReal), dimension(3,3,3,3) :: &
|
||||
C_lastInc
|
||||
integer(pInt) :: iter, ielem
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! loop variables, convergence etc.
|
||||
real(pReal) :: time0 = 0.0_pReal, timeinc = 1.0_pReal, timeinc_old = 0.0_pReal ! elapsed time, begin of interval, time interval
|
||||
real(pReal) :: timeinc, timeinc_old ! elapsed time, begin of interval, time interval
|
||||
real(pReal) :: guessmode, err_div, err_stress, err_stress_tol
|
||||
real(pReal), dimension(3,3) :: temp33_Real
|
||||
integer(pInt) :: i, j, k, l, m, n, p, errorID
|
||||
integer(pInt) :: N_Loadcases, loadcase = 0_pInt, inc, iter, ielem, CPFEM_mode=1_pInt, &
|
||||
ierr, totalIncsCounter = 0_pInt,&
|
||||
notConvergedCounter = 0_pInt, convergedCounter = 0_pInt
|
||||
logical :: errmatinv
|
||||
integer(pInt) :: i, j, k, m, n
|
||||
integer(pInt) :: CPFEM_mode=1_pInt
|
||||
logical :: errmatinv, restartWrite
|
||||
real(pReal) :: defgradDet
|
||||
character(len=6) :: loadcase_string
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!variables controlling debugging
|
||||
logical :: debugGeneral, debugDivergence, debugRestart, debugFFTW
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!variables for additional output due to general debugging
|
||||
real(pReal) :: defgradDetMax, defgradDetMin, maxCorrectionSym, maxCorrectionSkew
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! variables for additional output of divergence calculations
|
||||
type(C_PTR) :: divergence, plan_divergence
|
||||
type(C_PTR) :: scalarField_realC, scalarField_fourierC,&
|
||||
plan_scalarField_forth, plan_scalarField_back
|
||||
real(pReal), dimension(:,:,:,:), pointer :: divergence_real
|
||||
complex(pReal), dimension(:,:,:,:), pointer :: divergence_fourier
|
||||
real(pReal), dimension(:,:,:,:), allocatable :: divergence_post
|
||||
integer(pInt) :: row, column
|
||||
|
||||
|
||||
real(pReal), dimension(3,3) :: &
|
||||
P_av, &
|
||||
F_aim = math_I3, &
|
||||
F_aim_lastInc = math_I3, &
|
||||
mask_stress, &
|
||||
mask_defgrad, &
|
||||
deltaF_aim, &
|
||||
F_aim_lab, &
|
||||
F_aim_lab_lastIter, &
|
||||
P_av_lab
|
||||
real(pReal), dimension(3,3,3,3) :: &
|
||||
dPdF, &
|
||||
C_ref = 0.0_pReal, &
|
||||
C = 0.0_pReal, &
|
||||
S_lastInc, &
|
||||
C_lastInc
|
||||
real(pReal), dimension(3) :: geomdim = 0.0_pReal, virt_dim = 0.0_pReal
|
||||
|
||||
integer(pInt) :: &
|
||||
res1_red
|
||||
real(pReal) :: wgt
|
||||
if (solver == 'AL') solution%converged=.true.
|
||||
mask_defgrad = merge(ones,zeroes,load%maskDeformation)
|
||||
mask_stress = merge(ones,zeroes,load%maskStress)
|
||||
size_reduced = int(count(load%maskStressVector), pInt)
|
||||
real(pReal), dimension(3,3,3,3) :: &
|
||||
dPdF, &
|
||||
C = 0.0_pReal, &
|
||||
S_lastInc
|
||||
|
||||
|
||||
logical :: velgrad
|
||||
real(pReal), dimension(3,3) :: P_BC,F_BC,rotation_BC
|
||||
logical, dimension(9) :: mask_stressVector
|
||||
real(pReal) :: defgradDetMax, defgradDetMin
|
||||
mask_stress = merge(ones,zeroes,reshape(mask_stressVector,[3,3]))
|
||||
mask_defgrad = merge(zeroes,ones,reshape(mask_stressVector,[3,3]))
|
||||
size_reduced = int(count(mask_stressVector), pInt)
|
||||
allocate (c_reduced(size_reduced,size_reduced), source =0.0_pReal)
|
||||
allocate (s_reduced(size_reduced,size_reduced), source =0.0_pReal)
|
||||
|
||||
|
||||
if (velgrad) then ! calculate deltaF_aim from given L and current F
|
||||
deltaF_aim = timeinc * mask_defgrad * math_mul33x33(F_BC, F_aim)
|
||||
else ! deltaF_aim = fDot *timeinc where applicable
|
||||
deltaF_aim = timeinc * mask_defgrad * F_BC
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! winding forward of deformation aim in loadcase system
|
||||
temp33_Real = F_aim
|
||||
F_aim = F_aim &
|
||||
+ guessmode * mask_stress * (F_aim - F_aim_lastInc)*timeinc/timeinc_old &
|
||||
+ deltaF_aim
|
||||
F_aim_lastInc = temp33_Real
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! winding forward of deformation aim in loadcase system
|
||||
temp33_Real = F_aim
|
||||
F_aim = F_aim &
|
||||
+ guessmode * mask_stress * (F_aim - F_aim_lastInc)*timeinc/timeinc_old &
|
||||
+ deltaF_aim
|
||||
F_aim_lastInc = temp33_Real
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! update local deformation gradient and coordinates
|
||||
deltaF_aim = math_rotate_backward33(deltaF_aim,rotation_BC)
|
||||
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
|
||||
temp33_Real = F(i,j,k,1:3,1:3)
|
||||
F(i,j,k,1:3,1:3) = F(i,j,k,1:3,1:3) & ! decide if guessing along former trajectory or apply homogeneous addon
|
||||
+ guessmode * (F(i,j,k,1:3,1:3) - F_lastInc(i,j,k,1:3,1:3))& ! guessing...
|
||||
*timeinc/timeinc_old &
|
||||
+ (1.0_pReal-guessmode) * deltaF_aim ! if not guessing, use prescribed average deformation where applicable
|
||||
F_lastInc(i,j,k,1:3,1:3) = temp33_Real
|
||||
enddo; enddo; enddo
|
||||
call deformed_fft(res,geomdim,math_rotate_backward33(F_aim,rotation_BC),& ! calculate current coordinates
|
||||
1.0_pReal,F_lastInc,coordinates)
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate reduced compliance
|
||||
if(size_reduced > 0_pInt) then ! calculate compliance in case stress BC is applied
|
||||
C_lastInc = math_rotate_forward3333(C,load%rotation) ! calculate stiffness from former inc
|
||||
C_lastInc = math_rotate_forward3333(C,rotation_BC) ! calculate stiffness from former inc
|
||||
temp99_Real = math_Plain3333to99(C_lastInc)
|
||||
k = 0_pInt ! build reduced stiffness
|
||||
do n = 1_pInt,9_pInt
|
||||
if(load%maskStressVector(n)) then
|
||||
if(mask_stressVector(n)) then
|
||||
k = k + 1_pInt
|
||||
j = 0_pInt
|
||||
do m = 1_pInt,9_pInt
|
||||
if(load%maskStressVector(m)) then
|
||||
if(mask_stressVector(m)) then
|
||||
j = j + 1_pInt
|
||||
c_reduced(k,j) = temp99_Real(n,m)
|
||||
endif; enddo; endif; enddo
|
||||
|
|
@ -501,19 +465,20 @@ logical restartWrite
|
|||
temp99_Real = 0.0_pReal ! build full compliance
|
||||
k = 0_pInt
|
||||
do n = 1_pInt,9_pInt
|
||||
if(load%maskStressVector(n)) then
|
||||
if(mask_stressVector(n)) then
|
||||
k = k + 1_pInt
|
||||
j = 0_pInt
|
||||
do m = 1_pInt,9_pInt
|
||||
if(load%maskStressVector(m)) then
|
||||
if(mask_stressVector(m)) then
|
||||
j = j + 1_pInt
|
||||
temp99_Real(n,m) = s_reduced(k,j)
|
||||
endif; enddo; endif; enddo
|
||||
S_lastInc = (math_Plain99to3333(temp99_Real))
|
||||
endif
|
||||
guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase
|
||||
|
||||
iter = 0_pInt
|
||||
err_div = huge(err_div_tol) ! go into loop
|
||||
|
||||
!##################################################################################################
|
||||
! convergence loop (looping over iterations)
|
||||
!##################################################################################################
|
||||
|
|
@ -522,18 +487,47 @@ logical restartWrite
|
|||
.or. iter < itmin)
|
||||
iter = iter + 1_pInt
|
||||
|
||||
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
|
||||
P_av = math_rotate_forward33(P_av_lab,rotation_BC)
|
||||
write (6,'(a,/,3(3(f12.7,1x)/))',advance='no') 'Piola-Kirchhoff stress / MPa =',&
|
||||
math_transpose33(P_av)/1.e6_pReal
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! stress BC handling
|
||||
if(size_reduced > 0_pInt) then ! calculate stress BC if applied
|
||||
err_stress = maxval(abs(mask_stress * (P_av - P_BC))) ! maximum deviaton (tensor norm not applicable)
|
||||
err_stress_tol = min(maxval(abs(P_av)) * err_stress_tolrel,err_stress_tolabs) ! don't use any tensor norm for the relative criterion because the comparison should be coherent
|
||||
write(6,'(a)') ''
|
||||
write(6,'(a)') '... correcting deformation gradient to fulfill BCs ...............'
|
||||
write(6,'(a,f6.2,a,es11.4,a)') 'error stress = ', err_stress/err_stress_tol, &
|
||||
' (',err_stress,' Pa)'
|
||||
F_aim = F_aim - math_mul3333xx33(S_lastInc, ((P_av - P_BC))) ! residual on given stress components
|
||||
write(6,'(a,1x,es11.4)')'determinant of new deformation = ',math_det33(F_aim)
|
||||
else
|
||||
err_stress_tol = +huge(1.0_pReal)
|
||||
endif
|
||||
|
||||
F_aim_lab = math_rotate_backward33(F_aim,rotation_BC) ! boundary conditions from load frame into lab (Fourier) frame
|
||||
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! report begin of new iteration
|
||||
write(6,'(a)') ''
|
||||
write(6,'(a)') '=================================================================='
|
||||
write(6,'(6(a,i6.6))') 'Loadcase ',loadcase,' Inc. ',inc,'/',load%incs,&
|
||||
' @ Iter. ',itmin,' < ',iter,' < ',itmax
|
||||
write(6,'(3(a,i6.6))') ' @ Iter. ',itmin,' < ',iter,' < ',itmax
|
||||
write(6,'(a,/,3(3(f12.7,1x)/))',advance='no') 'deformation gradient aim =',&
|
||||
math_transpose33(F_aim)
|
||||
write(6,'(a)') ''
|
||||
write(6,'(a)') '... update stress field P(F) .....................................'
|
||||
if (restartWrite) write(6,'(a)') 'writing restart info for last increment'
|
||||
F_aim_lab_lastIter = math_rotate_backward33(F_aim,load%rotation)
|
||||
if(restartWrite) then
|
||||
write(6,'(a)') 'writing converged results for restart'
|
||||
call IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(F_lastInc)) ! writing deformation gradient field to file
|
||||
write (777,rec=1) F_LastInc
|
||||
close (777)
|
||||
call IO_write_jobBinaryFile(777,'C',size(C))
|
||||
write (777,rec=1) C
|
||||
close(777)
|
||||
endif
|
||||
F_aim_lab_lastIter = math_rotate_backward33(F_aim,rotation_BC)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! evaluate constitutive response
|
||||
ielem = 0_pInt
|
||||
|
|
@ -542,11 +536,12 @@ logical restartWrite
|
|||
call CPFEM_general(3_pInt,& ! collect cycle
|
||||
coordinates(i,j,k,1:3), F_lastInc(i,j,k,1:3,1:3),F(i,j,k,1:3,1:3), &
|
||||
temperature(i,j,k),timeinc,ielem,1_pInt,sigma,dsde,&
|
||||
P_real(i,j,k,1:3,1:3),dPdF)
|
||||
P(i,j,k,1:3,1:3),dPdF)
|
||||
enddo; enddo; enddo
|
||||
|
||||
P_real = 0.0_pReal ! needed because of the padding for FFTW
|
||||
P = 0.0_pReal ! needed because of the padding for FFTW
|
||||
C = 0.0_pReal
|
||||
P_av_lab = 0.0_pReal
|
||||
ielem = 0_pInt
|
||||
call debug_reset()
|
||||
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
|
||||
|
|
@ -554,39 +549,109 @@ logical restartWrite
|
|||
call CPFEM_general(CPFEM_mode,& ! first element in first iteration retains CPFEM_mode 1,
|
||||
coordinates(i,j,k,1:3),F_lastInc(i,j,k,1:3,1:3), F(i,j,k,1:3,1:3), & ! others get 2 (saves winding forward effort)
|
||||
temperature(i,j,k),timeinc,ielem,1_pInt,sigma,dsde, &
|
||||
P_real(i,j,k,1:3,1:3),dPdF)
|
||||
P(i,j,k,1:3,1:3),dPdF)
|
||||
CPFEM_mode = 2_pInt
|
||||
C = C + dPdF
|
||||
P_av_lab = P_av_lab + P(i,j,k,1:3,1:3)
|
||||
enddo; enddo; enddo
|
||||
call debug_info()
|
||||
! for test of regridding
|
||||
! if( bc(loadcase)%restartFrequency > 0_pInt .and. &
|
||||
! mod(inc-1,bc(loadcase)%restartFrequency) == 0_pInt .and. &
|
||||
! restartInc/=inc) call quit(-1*(restartInc+1)) ! trigger exit to regrid
|
||||
restartWrite = .false.
|
||||
P_av_lab = P_av_lab * wgt
|
||||
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
|
||||
|
||||
P_av = math_rotate_forward33(P_av_lab,rotation_BC)
|
||||
write (6,'(a,/,3(3(f12.7,1x)/))',advance='no') 'Piola-Kirchhoff stress / MPa =',&
|
||||
math_transpose33(P_av)/1.e6_pReal
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! stress BC handling
|
||||
if(size_reduced > 0_pInt) then ! calculate stress BC if applied
|
||||
err_stress = maxval(abs(mask_stress * (P_av - P_BC))) ! maximum deviaton (tensor norm not applicable)
|
||||
err_stress_tol = min(maxval(abs(P_av)) * err_stress_tolrel,err_stress_tolabs) ! don't use any tensor norm for the relative criterion because the comparison should be coherent
|
||||
write(6,'(a)') ''
|
||||
write(6,'(a)') '... correcting deformation gradient to fulfill BCs ...............'
|
||||
write(6,'(a,f6.2,a,es11.4,a)') 'error stress = ', err_stress/err_stress_tol, &
|
||||
' (',err_stress,' Pa)'
|
||||
F_aim = F_aim - math_mul3333xx33(S_lastInc, ((P_av - P_BC))) ! residual on given stress components
|
||||
write(6,'(a,1x,es11.4)')'determinant of new deformation = ',math_det33(F_aim)
|
||||
else
|
||||
err_stress_tol = +huge(1.0_pReal)
|
||||
endif
|
||||
|
||||
F_aim_lab = math_rotate_backward33(F_aim,rotation_BC)
|
||||
field_real(1:res(1),1:res(2),1:res(3),1:3,1:3) = P
|
||||
call convolution(.True.,F_aim_lab_lastIter - F_aim_lab)
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! updated deformation gradient
|
||||
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
|
||||
F(i,j,k,1:3,1:3) = F(i,j,k,1:3,1:3) - field_real(i,j,k,1:3,1:3)*wgt ! F(x)^(n+1) = F(x)^(n) + correction; *wgt: correcting for missing normalization
|
||||
enddo; enddo; enddo
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate bounds of det(F) and report
|
||||
if(debugGeneral) then
|
||||
defgradDetMax = -huge(1.0_pReal)
|
||||
defgradDetMin = +huge(1.0_pReal)
|
||||
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
|
||||
defgradDet = math_det33(F(i,j,k,1:3,1:3))
|
||||
defgradDetMax = max(defgradDetMax,defgradDet)
|
||||
defgradDetMin = min(defgradDetMin,defgradDet)
|
||||
enddo; enddo; enddo
|
||||
|
||||
write(6,'(a,1x,es11.4)') 'max determinant of deformation =', defgradDetMax
|
||||
write(6,'(a,1x,es11.4)') 'min determinant of deformation =', defgradDetMin
|
||||
endif
|
||||
|
||||
enddo ! end looping when convergency is achieved
|
||||
|
||||
CPFEM_mode = 1_pInt ! winding forward
|
||||
C = C * wgt
|
||||
|
||||
deallocate(c_reduced)
|
||||
deallocate(s_reduced)
|
||||
end function solution
|
||||
|
||||
subroutine convolution(calcDivergence, field_aim)
|
||||
real(pReal) :: err_div
|
||||
real(pReal), dimension(3,3) :: temp33_Real
|
||||
integer(pInt) :: i, j, k, l, m, n, q
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!variables for additional output due to general debugging
|
||||
real(pReal) :: maxCorrectionSym, maxCorrectionSkew
|
||||
logical :: calcDivergence
|
||||
real(pReal), dimension(3,3) :: field_avg, field_aim
|
||||
integer(pInt) :: row, column
|
||||
real(pReal) :: field_av_L2, err_div_RMS, err_real_div_RMS, err_post_div_RMS,&
|
||||
err_div_max, err_real_div_max
|
||||
complex(pReal), dimension(3) :: temp3_complex
|
||||
complex(pReal), dimension(3,3) :: temp33_complex
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! actual spectral method
|
||||
write(6,'(a)') ''
|
||||
write(6,'(a)') '... doing convolution .................'
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! copy one component of the stress field to to a single FT and check for mismatch
|
||||
if (debugFFTW) then
|
||||
row = (mod(totalIncsCounter+iter-2_pInt,9_pInt))/3_pInt + 1_pInt ! go through the elements of the tensors, controlled by totalIncsCounter and iter, starting at 1
|
||||
column = (mod(totalIncsCounter+iter-2_pInt,3_pInt)) + 1_pInt
|
||||
row = 3 ! (mod(totalIncsCounter+iter-2_pInt,9_pInt))/3_pInt + 1_pInt ! go through the elements of the tensors, controlled by totalIncsCounter and iter, starting at 1
|
||||
column = 3 !(mod(totalIncsCounter+iter-2_pInt,3_pInt)) + 1_pInt
|
||||
scalarField_real(1:res(1),1:res(2),1:res(3)) =& ! store the selected component
|
||||
cmplx(P_real(1:res(1),1:res(2),1:res(3),row,column),0.0_pReal,pReal)
|
||||
cmplx(field_real(1:res(1),1:res(2),1:res(3),row,column),0.0_pReal,pReal)
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! call function to calculate divergence from math (for post processing) to check results
|
||||
if (debugDivergence) &
|
||||
call divergence_fft(res,virt_dim,3_pInt,&
|
||||
P_real(1:res(1),1:res(2),1:res(3),1:3,1:3),divergence_post) ! padding
|
||||
field_real(1:res(1),1:res(2),1:res(3),1:3,1:3),divergence_post) ! padding
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! doing the FT because it simplifies calculation of average stress in real space also
|
||||
call fftw_execute_dft_r2c(plan_stress,P_real,P_fourier)
|
||||
call fftw_execute_dft_r2c(plan_forward,field_real,field_fourier)
|
||||
|
||||
P_av_lab = real(P_fourier(1,1,1,1:3,1:3),pReal)*wgt
|
||||
P_av = math_rotate_forward33(P_av_lab,load%rotation)
|
||||
write (6,'(a,/,3(3(f12.7,1x)/))',advance='no') 'Piola-Kirchhoff stress / MPa =',&
|
||||
math_transpose33(P_av)/1.e6_pReal
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! comparing 1 and 3x3 FT results
|
||||
|
|
@ -595,85 +660,61 @@ logical restartWrite
|
|||
write(6,'(a,i1,1x,i1)') 'checking FT results of compontent ', row, column
|
||||
write(6,'(a,2(es11.4,1x))') 'max FT relative error = ',&
|
||||
maxval( real((scalarField_fourier(1:res1_red,1:res(2),1:res(3))-&
|
||||
P_fourier(1:res1_red,1:res(2),1:res(3),row,column))/&
|
||||
field_fourier(1:res1_red,1:res(2),1:res(3),row,column))/&
|
||||
scalarField_fourier(1:res1_red,1:res(2),1:res(3)))), &
|
||||
maxval(aimag((scalarField_fourier(1:res1_red,1:res(2),1:res(3))-&
|
||||
P_fourier(1:res1_red,1:res(2),1:res(3),row,column))/&
|
||||
field_fourier(1:res1_red,1:res(2),1:res(3),row,column))/&
|
||||
scalarField_fourier(1:res1_red,1:res(2),1:res(3))))
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! removing highest frequencies
|
||||
P_fourier ( res1_red,1:res(2) , 1:res(3) ,1:3,1:3)&
|
||||
field_fourier ( res1_red,1:res(2) , 1:res(3) ,1:3,1:3)&
|
||||
= cmplx(0.0_pReal,0.0_pReal,pReal)
|
||||
P_fourier (1:res1_red, res(2)/2_pInt+1_pInt,1:res(3) ,1:3,1:3)&
|
||||
field_fourier (1:res1_red, res(2)/2_pInt+1_pInt,1:res(3) ,1:3,1:3)&
|
||||
= cmplx(0.0_pReal,0.0_pReal,pReal)
|
||||
if(res(3)>1_pInt) &
|
||||
P_fourier (1:res1_red,1:res(2), res(3)/2_pInt+1_pInt,1:3,1:3)&
|
||||
field_fourier (1:res1_red,1:res(2), res(3)/2_pInt+1_pInt,1:3,1:3)&
|
||||
= cmplx(0.0_pReal,0.0_pReal,pReal)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! stress BC handling
|
||||
if(size_reduced > 0_pInt) then ! calculate stress BC if applied
|
||||
err_stress = maxval(abs(mask_stress * (P_av - load%stress))) ! maximum deviaton (tensor norm not applicable)
|
||||
err_stress_tol = min(maxval(abs(P_av)) * err_stress_tolrel,err_stress_tolabs) ! don't use any tensor norm for the relative criterion because the comparison should be coherent
|
||||
write(6,'(a)') ''
|
||||
write(6,'(a)') '... correcting deformation gradient to fulfill BCs ...............'
|
||||
write(6,'(a,f6.2,a,es11.4,a)') 'error stress = ', err_stress/err_stress_tol, &
|
||||
' (',err_stress,' Pa)'
|
||||
F_aim = F_aim - math_mul3333xx33(S_lastInc, ((P_av - load%stress))) ! residual on given stress components
|
||||
write(6,'(a,1x,es11.4)')'determinant of new deformation = ',math_det33(F_aim)
|
||||
else
|
||||
err_stress_tol = +huge(1.0_pReal)
|
||||
endif
|
||||
|
||||
F_aim_lab = math_rotate_backward33(F_aim,load%rotation) ! boundary conditions from load frame into lab (Fourier) frame
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! actual spectral method
|
||||
write(6,'(a)') ''
|
||||
write(6,'(a)') '... calculating equilibrium with spectral method .................'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculating RMS divergence criterion in Fourier space
|
||||
pstress_av_L2 = sqrt(maxval(math_eigenvalues33(math_mul33x33(P_av_lab,& ! L_2 norm of average stress (http://mathworld.wolfram.com/SpectralNorm.html)
|
||||
math_transpose33(P_av_lab)))))
|
||||
if( calcDivergence) then
|
||||
field_avg = real(field_fourier(1,1,1,1:3,1:3),pReal)*wgt
|
||||
|
||||
field_av_L2 = sqrt(maxval(math_eigenvalues33(math_mul33x33(field_avg,& ! L_2 norm of average stress (http://mathworld.wolfram.com/SpectralNorm.html)
|
||||
math_transpose33(field_avg)))))
|
||||
err_div_RMS = 0.0_pReal
|
||||
do k = 1_pInt, res(3); do j = 1_pInt, res(2)
|
||||
do i = 2_pInt, res1_red -1_pInt ! Has somewhere a conj. complex counterpart. Therefore count it twice.
|
||||
err_div_RMS = err_div_RMS &
|
||||
+ 2.0_pReal*(sum (real(math_mul33x3_complex(P_fourier(i,j,k,1:3,1:3),& ! (sqrt(real(a)**2 + aimag(a)**2))**2 = real(a)**2 + aimag(a)**2. do not take square root and square again
|
||||
+ 2.0_pReal*(sum (real(math_mul33x3_complex(field_fourier(i,j,k,1:3,1:3),& ! (sqrt(real(a)**2 + aimag(a)**2))**2 = real(a)**2 + aimag(a)**2. do not take square root and square again
|
||||
xi(1:3,i,j,k))*TWOPIIMG)**2.0_pReal)& ! --> sum squared L_2 norm of vector
|
||||
+sum(aimag(math_mul33x3_complex(P_fourier(i,j,k,1:3,1:3),&
|
||||
+sum(aimag(math_mul33x3_complex(field_fourier(i,j,k,1:3,1:3),&
|
||||
xi(1:3,i,j,k))*TWOPIIMG)**2.0_pReal))
|
||||
enddo
|
||||
err_div_RMS = err_div_RMS & ! Those two layers (DC and Nyquist) do not have a conjugate complex counterpart
|
||||
+ sum( real(math_mul33x3_complex(P_fourier(1 ,j,k,1:3,1:3),&
|
||||
+ sum( real(math_mul33x3_complex(field_fourier(1 ,j,k,1:3,1:3),&
|
||||
xi(1:3,1 ,j,k))*TWOPIIMG)**2.0_pReal)&
|
||||
+ sum(aimag(math_mul33x3_complex(P_fourier(1 ,j,k,1:3,1:3),&
|
||||
+ sum(aimag(math_mul33x3_complex(field_fourier(1 ,j,k,1:3,1:3),&
|
||||
xi(1:3,1 ,j,k))*TWOPIIMG)**2.0_pReal)&
|
||||
+ sum( real(math_mul33x3_complex(P_fourier(res1_red,j,k,1:3,1:3),&
|
||||
+ sum( real(math_mul33x3_complex(field_fourier(res1_red,j,k,1:3,1:3),&
|
||||
xi(1:3,res1_red,j,k))*TWOPIIMG)**2.0_pReal)&
|
||||
+ sum(aimag(math_mul33x3_complex(P_fourier(res1_red,j,k,1:3,1:3),&
|
||||
+ sum(aimag(math_mul33x3_complex(field_fourier(res1_red,j,k,1:3,1:3),&
|
||||
xi(1:3,res1_red,j,k))*TWOPIIMG)**2.0_pReal)
|
||||
enddo; enddo
|
||||
|
||||
err_div_RMS = sqrt(err_div_RMS)*wgt ! RMS in real space calculated with Parsevals theorem from Fourier space
|
||||
err_div = err_div_RMS/field_av_L2 ! criterion to stop iterations
|
||||
|
||||
if (err_div_RMS/pstress_av_L2 > err_div &
|
||||
.and. err_stress < err_stress_tol &
|
||||
.and. iter >= itmin ) then
|
||||
write(6,'(a)') 'Increasing divergence, stopping iterations'
|
||||
iter = itmax
|
||||
endif
|
||||
err_div = err_div_RMS/pstress_av_L2 ! criterion to stop iterations
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate additional divergence criteria and report
|
||||
if (debugDivergence) then ! calculate divergence again
|
||||
err_div_max = 0.0_pReal
|
||||
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res1_red
|
||||
temp3_Complex = math_mul33x3_complex(P_fourier(i,j,k,1:3,1:3)*wgt,& ! weighting P_fourier
|
||||
temp3_Complex = math_mul33x3_complex(field_fourier(i,j,k,1:3,1:3)*wgt,& ! weighting P_fourier
|
||||
xi(1:3,i,j,k))*TWOPIIMG
|
||||
err_div_max = max(err_div_max,sum(abs(temp3_Complex)**2.0_pReal))
|
||||
divergence_fourier(i,j,k,1:3) = temp3_Complex ! need divergence NOT squared
|
||||
|
|
@ -701,9 +742,9 @@ logical restartWrite
|
|||
write(6,'(a,es11.4)') 'error divergence FT max = ',err_div_max
|
||||
write(6,'(a,es11.4)') 'error divergence Real max = ',err_real_div_max
|
||||
endif
|
||||
write(6,'(a,f6.2,a,es11.4,a)') 'error divergence = ', err_div/err_div_tol,&
|
||||
' (',err_div,' N/m³)'
|
||||
|
||||
! write(6,'(a,f6.2,a,es11.4,a)') 'error divergence = ', err_div/err_div_tol,&
|
||||
! ' (',err_div,' N/m³)'
|
||||
end if
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! to the actual spectral method calculation (mechanical equilibrium)
|
||||
if(memory_efficient) then ! memory saving version, on-the-fly calculation of gamma_hat
|
||||
|
|
@ -715,12 +756,12 @@ logical restartWrite
|
|||
forall(l = 1_pInt:3_pInt, m = 1_pInt:3_pInt) &
|
||||
temp33_Real(l,m) = sum(C_ref(l,m,1:3,1:3)*xiDyad)
|
||||
temp33_Real = math_inv33(temp33_Real)
|
||||
forall(l=1_pInt:3_pInt, m=1_pInt:3_pInt, n=1_pInt:3_pInt, p=1_pInt:3_pInt)&
|
||||
gamma_hat(1,1,1, l,m,n,p) = temp33_Real(l,n)*xiDyad(m,p)
|
||||
forall(l=1_pInt:3_pInt, m=1_pInt:3_pInt, n=1_pInt:3_pInt, q=1_pInt:3_pInt)&
|
||||
gamma_hat(1,1,1, l,m,n,q) = temp33_Real(l,n)*xiDyad(m,q)
|
||||
forall(l = 1_pInt:3_pInt, m = 1_pInt:3_pInt) &
|
||||
temp33_Complex(l,m) = sum(gamma_hat(1,1,1, l,m, 1:3,1:3) *&
|
||||
P_fourier(i,j,k,1:3,1:3))
|
||||
deltaF_fourier(i,j,k,1:3,1:3) = temp33_Complex
|
||||
field_fourier(i,j,k,1:3,1:3))
|
||||
field_fourier(i,j,k,1:3,1:3) = temp33_Complex
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
|
||||
|
|
@ -729,19 +770,18 @@ logical restartWrite
|
|||
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt,res1_red
|
||||
forall( m = 1_pInt:3_pInt, n = 1_pInt:3_pInt) &
|
||||
temp33_Complex(m,n) = sum(gamma_hat(i,j,k, m,n, 1:3,1:3) *&
|
||||
P_fourier(i,j,k,1:3,1:3))
|
||||
deltaF_fourier(i,j,k, 1:3,1:3) = temp33_Complex
|
||||
field_fourier(i,j,k,1:3,1:3))
|
||||
field_fourier(i,j,k, 1:3,1:3) = temp33_Complex
|
||||
enddo; enddo; enddo
|
||||
|
||||
endif
|
||||
deltaF_fourier(1,1,1,1:3,1:3) = cmplx((F_aim_lab_lastIter - F_aim_lab) & ! assign (negative) average deformation gradient change to zero frequency (real part)
|
||||
* real(Npoints,pReal),0.0_pReal,pReal) ! singular point at xi=(0.0,0.0,0.0) i.e. i=j=k=1
|
||||
field_fourier(1,1,1,1:3,1:3) = cmplx(field_aim,0.0_pReal,pReal) ! singular point at xi=(0.0,0.0,0.0) i.e. i=j=k=1
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! comparing 1 and 3x3 inverse FT results
|
||||
if (debugFFTW) then
|
||||
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res1_red
|
||||
scalarField_fourier(i,j,k) = deltaF_fourier(i,j,k,row,column)
|
||||
scalarField_fourier(i,j,k) = field_fourier(i,j,k,row,column)
|
||||
enddo; enddo; enddo
|
||||
do i = 0_pInt, res(1)/2_pInt-2_pInt ! unpack fft data for conj complex symmetric part
|
||||
m = 1_pInt
|
||||
|
|
@ -758,7 +798,7 @@ logical restartWrite
|
|||
endif
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! doing the inverse FT
|
||||
call fftw_execute_dft_c2r(plan_correction,deltaF_fourier,deltaF_real) ! back transform of fluct deformation gradient
|
||||
call fftw_execute_dft_c2r(plan_backward,field_fourier,field_real) ! back transform of fluct deformation gradient
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! comparing 1 and 3x3 inverse FT results
|
||||
|
|
@ -767,7 +807,7 @@ logical restartWrite
|
|||
call fftw_execute_dft(plan_scalarField_back,scalarField_fourier,scalarField_real)
|
||||
write(6,'(a,es11.4)') 'max iFT relative error = ',&
|
||||
maxval((real(scalarField_real(1:res(1),1:res(2),1:res(3)))-&
|
||||
deltaF_real(1:res(1),1:res(2),1:res(3),row,column))/&
|
||||
field_real(1:res(1),1:res(2),1:res(3),row,column))/&
|
||||
real(scalarField_real(1:res(1),1:res(2),1:res(3))))
|
||||
endif
|
||||
|
||||
|
|
@ -779,10 +819,10 @@ logical restartWrite
|
|||
temp33_Real = 0.0_pReal
|
||||
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
|
||||
maxCorrectionSym = max(maxCorrectionSym,&
|
||||
maxval(math_symmetric33(deltaF_real(i,j,k,1:3,1:3))))
|
||||
maxval(math_symmetric33(field_real(i,j,k,1:3,1:3))))
|
||||
maxCorrectionSkew = max(maxCorrectionSkew,&
|
||||
maxval(math_skew33(deltaF_real(i,j,k,1:3,1:3))))
|
||||
temp33_Real = temp33_Real + deltaF_real(i,j,k,1:3,1:3)
|
||||
maxval(math_skew33(field_real(i,j,k,1:3,1:3))))
|
||||
temp33_Real = temp33_Real + field_real(i,j,k,1:3,1:3)
|
||||
enddo; enddo; enddo
|
||||
write(6,'(a,1x,es11.4)') 'max symmetric correction of deformation =',&
|
||||
maxCorrectionSym*wgt
|
||||
|
|
@ -793,52 +833,7 @@ logical restartWrite
|
|||
maxval(math_skew33(temp33_real))
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! updated deformation gradient
|
||||
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
|
||||
F(i,j,k,1:3,1:3) = F(i,j,k,1:3,1:3) - deltaF_real(i,j,k,1:3,1:3)*wgt ! F(x)^(n+1) = F(x)^(n) + correction; *wgt: correcting for missing normalization
|
||||
enddo; enddo; enddo
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate bounds of det(F) and report
|
||||
if(debugGeneral) then
|
||||
defgradDetMax = -huge(1.0_pReal)
|
||||
defgradDetMin = +huge(1.0_pReal)
|
||||
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
|
||||
defgradDet = math_det33(F(i,j,k,1:3,1:3))
|
||||
defgradDetMax = max(defgradDetMax,defgradDet)
|
||||
defgradDetMin = min(defgradDetMin,defgradDet)
|
||||
enddo; enddo; enddo
|
||||
|
||||
write(6,'(a,1x,es11.4)') 'max determinant of deformation =', defgradDetMax
|
||||
write(6,'(a,1x,es11.4)') 'min determinant of deformation =', defgradDetMin
|
||||
endif
|
||||
|
||||
enddo ! end looping when convergency is achieved
|
||||
|
||||
CPFEM_mode = 1_pInt ! winding forward
|
||||
C = C * wgt
|
||||
|
||||
|
||||
if( load%restartFrequency > 0_pInt .and. &
|
||||
mod(inc,load%restartFrequency) == 0_pInt) then ! at frequency of writing restart information set restart parameter for FEsolving (first call to CPFEM_general will write ToDo: true?)
|
||||
!restartInc=totalIncsCounter
|
||||
restartWrite = .true.
|
||||
write(6,'(a)') 'writing converged results for restart'
|
||||
call IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(F)) ! writing deformation gradient field to file
|
||||
write (777,rec=1) F
|
||||
close (777)
|
||||
call IO_write_jobBinaryFile(777,'C',size(C))
|
||||
write (777,rec=1) C
|
||||
close(777)
|
||||
endif
|
||||
|
||||
|
||||
deallocate(c_reduced)
|
||||
deallocate(s_reduced)
|
||||
end function solution
|
||||
|
||||
end subroutine convolution
|
||||
|
||||
|
||||
end module DAMASK_spectralSolver
|
||||
|
|
|
|||
Loading…
Reference in New Issue