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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@ -386,29 +383,21 @@ 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 (&
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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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solres = solution('AL')
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!converged = solution(mySolver,ForwardFields(solver,deltaF_aim,timeinc/timeinc_old,guessmode, restartWrite))
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write(6,'(a)') ''
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write(6,'(a)') '=================================================================='
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if(solres%converged) then
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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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@ -466,4 +459,4 @@ subroutine quit(stop_id)
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endif
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if (stop_id == 3_pInt) stop 3 ! not all steps converged
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stop 1 ! error (message from IO_error)
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end subroutine
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end subroutine
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