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more commenting, clearer variable naming, stress_mask as param

This commit is contained in:
Philip Eisenlohr 2018-07-03 15:26:11 -04:00
parent b1a7eca528
commit bebcd53445
3 changed files with 45 additions and 40 deletions
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45
src/spectral_mech_Basic.f90
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@ -62,8 +62,6 @@ module spectral_mech_basic
integer(pInt), private :: & integer(pInt), private :: &
totalIter = 0_pInt !< total iteration in current increment totalIter = 0_pInt !< total iteration in current increment
real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
public :: & public :: &
basic_init, & basic_init, &
basic_solution, & basic_solution, &
@ -234,12 +232,12 @@ type(tSolutionState) function basic_solution(incInfoIn,timeinc,timeinc_old,stres
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! input data for solution ! input data for solution
character(len=*), intent(in) :: & character(len=*), intent(in) :: &
incInfoIn incInfoIn
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
timeinc, & !< increment time for current solution timeinc, & !< increment time for current solution
timeinc_old !< increment time of last successful increment timeinc_old !< increment time of last successful increment
type(tBoundaryCondition), intent(in) :: & type(tBoundaryCondition), intent(in) :: &
stress_BC stress_BC
real(pReal), dimension(3,3), intent(in) :: rotation_BC real(pReal), dimension(3,3), intent(in) :: rotation_BC
@ -261,7 +259,7 @@ type(tSolutionState) function basic_solution(incInfoIn,timeinc,timeinc_old,stres
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! set module wide availabe data ! set module wide availabe data
mask_stress = stress_BC%maskFloat params%stress_mask = stress_BC%maskFloat
params%stress_BC = stress_BC%values params%stress_BC = stress_BC%values
params%rotation_BC = rotation_BC params%rotation_BC = rotation_BC
params%timeinc = timeinc params%timeinc = timeinc
@ -287,7 +285,11 @@ end function basic_solution
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief forms the basic residual vector !> @brief forms the basic residual vector
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine Basic_formResidual(in,x_scal,f_scal,dummy,ierr) subroutine Basic_formResidual(in, & ! DMDA info (needs to be named "in" for XRANGE, etc. macros to work)
F, & ! defgrad field on grid
residuum, & ! residuum field on grid
dummy, &
ierr)
use numerics, only: & use numerics, only: &
itmax, & itmax, &
itmin itmin
@ -316,9 +318,9 @@ subroutine Basic_formResidual(in,x_scal,f_scal,dummy,ierr)
implicit none implicit none
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in
PetscScalar, & PetscScalar, &
dimension(3,3, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: x_scal !< what is this? dimension(3,3, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: F
PetscScalar, & PetscScalar, &
dimension(3,3, X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: f_scal !< what is this? dimension(3,3, X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: residuum
PetscInt :: & PetscInt :: &
PETScIter, & PETScIter, &
nfuncs nfuncs
@ -347,28 +349,29 @@ subroutine Basic_formResidual(in,x_scal,f_scal,dummy,ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! evaluate constitutive response ! evaluate constitutive response
call Utilities_constitutiveResponse(f_scal,P_av,C_volAvg,C_minMaxAvg, & call Utilities_constitutiveResponse(residuum, & ! "residuum" gets field of first PK stress (to save memory)
x_scal,params%timeinc, params%rotation_BC) P_av,C_volAvg,C_minMaxAvg, &
F,params%timeinc,params%rotation_BC)
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! stress BC handling ! stress BC handling
deltaF_aim = math_mul3333xx33(S, P_av - params%stress_BC) deltaF_aim = math_mul3333xx33(S, P_av - params%stress_BC)
F_aim = F_aim - deltaF_aim F_aim = F_aim - deltaF_aim
err_BC = maxval(abs(mask_stress * (P_av - params%stress_BC))) ! mask = 0.0 when no stress bc err_BC = maxval(abs(params%stress_mask * (P_av - params%stress_BC))) ! mask = 0.0 when no stress bc
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! updated deformation gradient using fix point algorithm of basic scheme ! updated deformation gradient using fix point algorithm of basic scheme
tensorField_real = 0.0_pReal tensorField_real = 0.0_pReal
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = f_scal tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residuum ! store fPK field for subsequent FFT forward transform
call utilities_FFTtensorForward() ! FFT forward of global "tensorField_real" call utilities_FFTtensorForward() ! FFT forward of global "tensorField_real"
err_div = Utilities_divergenceRMS() ! divRMS of tensorField_fourier err_div = Utilities_divergenceRMS() ! divRMS of tensorField_fourier for later use
call utilities_fourierGammaConvolution(math_rotate_backward33(deltaF_aim,params%rotation_BC)) ! convolution of Gamma and tensorField_fourier, with arg call utilities_fourierGammaConvolution(math_rotate_backward33(deltaF_aim,params%rotation_BC)) ! convolution of Gamma and tensorField_fourier, with arg
call utilities_FFTtensorBackward() ! FFT backward of global tensorField_fourier call utilities_FFTtensorBackward() ! FFT backward of global tensorField_fourier
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! constructing residual ! constructing residual
f_scal = tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) ! Gamma*P gives correction towards div(P) = 0, so needs to be zero, too residuum = tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) ! Gamma*P gives correction towards div(P) = 0, so needs to be zero, too
end subroutine Basic_formResidual end subroutine Basic_formResidual
@ -391,9 +394,9 @@ subroutine Basic_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,i
SNES :: snes_local SNES :: snes_local
PetscInt :: PETScIter PetscInt :: PETScIter
PetscReal :: & PetscReal :: &
xnorm, & xnorm, & ! not used
snorm, & snorm, & ! not used
fnorm fnorm ! not used
SNESConvergedReason :: reason SNESConvergedReason :: reason
PetscObject :: dummy PetscObject :: dummy
PetscErrorCode :: ierr PetscErrorCode :: ierr
@ -457,16 +460,16 @@ subroutine Basic_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,s
restartWrite restartWrite
implicit none implicit none
logical, intent(in) :: & logical, intent(in) :: &
guess guess
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
timeinc_old, & timeinc_old, &
timeinc, & timeinc, &
loadCaseTime !< remaining time of current load case loadCaseTime !< remaining time of current load case
type(tBoundaryCondition), intent(in) :: & type(tBoundaryCondition), intent(in) :: &
stress_BC, & stress_BC, &
deformation_BC deformation_BC
real(pReal), dimension(3,3), intent(in) ::& real(pReal), dimension(3,3), intent(in) :: &
rotation_BC rotation_BC
PetscErrorCode :: ierr PetscErrorCode :: ierr
PetscScalar, dimension(:,:,:,:), pointer :: F PetscScalar, dimension(:,:,:,:), pointer :: F

35
src/spectral_mech_Polarisation.f90
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@ -27,7 +27,6 @@ module spectral_mech_Polarisation
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! derived types ! derived types
type(tSolutionParams), private :: params type(tSolutionParams), private :: params
real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! PETSc data ! PETSc data
@ -289,7 +288,7 @@ type(tSolutionState) function Polarisation_solution(incInfoIn,timeinc,timeinc_ol
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! set module wide availabe data ! set module wide availabe data
mask_stress = stress_BC%maskFloat params%stress_mask = stress_BC%maskFloat
params%stress_BC = stress_BC%values params%stress_BC = stress_BC%values
params%rotation_BC = rotation_BC params%rotation_BC = rotation_BC
params%timeinc = timeinc params%timeinc = timeinc
@ -315,7 +314,11 @@ end function Polarisation_solution
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief forms the Polarisation residual vector !> @brief forms the Polarisation residual vector
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr) subroutine Polarisation_formResidual(in, & ! DMDA info (needs to be named "in" for XRANGE, etc. macros to work)
FandF_tau, & ! defgrad fields on grid
residuum, & ! residuum fields on grid
dummy, &
ierr)
use numerics, only: & use numerics, only: &
itmax, & itmax, &
itmin, & itmin, &
@ -352,9 +355,9 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
implicit none implicit none
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in
PetscScalar, & PetscScalar, &
target, dimension(3,3,2, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: x_scal target, dimension(3,3,2, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: FandF_tau
PetscScalar, & PetscScalar, &
target, dimension(3,3,2, X_RANGE, Y_RANGE, Z_RANGE), intent(out) :: f_scal target, dimension(3,3,2, X_RANGE, Y_RANGE, Z_RANGE), intent(out) :: residuum
PetscScalar, pointer, dimension(:,:,:,:,:) :: & PetscScalar, pointer, dimension(:,:,:,:,:) :: &
F, & F, &
F_tau, & F_tau, &
@ -368,20 +371,20 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
integer(pInt) :: & integer(pInt) :: &
i, j, k, e i, j, k, e
F => x_scal(1:3,1:3,1,& F => FandF_tau(1:3,1:3,1,&
XG_RANGE,YG_RANGE,ZG_RANGE) XG_RANGE,YG_RANGE,ZG_RANGE)
F_tau => x_scal(1:3,1:3,2,& F_tau => FandF_tau(1:3,1:3,2,&
XG_RANGE,YG_RANGE,ZG_RANGE) XG_RANGE,YG_RANGE,ZG_RANGE)
residual_F => f_scal(1:3,1:3,1,& residual_F => residuum(1:3,1:3,1,&
X_RANGE, Y_RANGE, Z_RANGE) X_RANGE, Y_RANGE, Z_RANGE)
residual_F_tau => f_scal(1:3,1:3,2,& residual_F_tau => residuum(1:3,1:3,2,&
X_RANGE, Y_RANGE, Z_RANGE) X_RANGE, Y_RANGE, Z_RANGE)
F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt
call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr) call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr) call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -494,8 +497,8 @@ subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! stress BC handling ! stress BC handling
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
err_BC = maxval(abs((1.0_pReal-mask_stress) * math_mul3333xx33(C_scale,F_aim-F_av) + & err_BC = maxval(abs((1.0_pReal-params%stress_mask) * math_mul3333xx33(C_scale,F_aim-F_av) + &
mask_stress * (P_av-params%stress_BC))) ! mask = 0.0 for no bc params%stress_mask * (P_av-params%stress_BC))) ! mask = 0.0 for no bc
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! error calculation ! error calculation

5
src/spectral_utilities.f90
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@ -96,11 +96,10 @@ module spectral_utilities
integer(kind(FIELD_UNDEFINED_ID)), allocatable :: ID(:) integer(kind(FIELD_UNDEFINED_ID)), allocatable :: ID(:)
end type tLoadCase end type tLoadCase
type, public :: tSolutionParams !< @todo use here the type definition for a full loadcase including mask type, public :: tSolutionParams !< @todo use here the type definition for a full loadcase
real(pReal), dimension(3,3) :: stress_BC, rotation_BC real(pReal), dimension(3,3) :: stress_mask, stress_BC, rotation_BC
real(pReal) :: timeinc real(pReal) :: timeinc
real(pReal) :: timeincOld real(pReal) :: timeincOld
real(pReal) :: density
end type tSolutionParams end type tSolutionParams
type, public :: phaseFieldDataBin !< set of parameters defining a phase field type, public :: phaseFieldDataBin !< set of parameters defining a phase field