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Merge commit 'v2.0.2-176-g88d71afb'

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Test User 2018-07-04 19:57:13 +02:00
parent 69cb9de9c8 88d71afb6b
commit 96d327e5ce
4 changed files with 54 additions and 48 deletions
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17
src/material.f90
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@ -692,7 +692,7 @@ subroutine material_parseMicrostructure
implicit none
character(len=65536), dimension(:), allocatable :: &
str
strings
integer(pInt), allocatable, dimension(:) :: chunkPos
integer(pInt) :: e, m, c, i
character(len=65536) :: &
@ -719,21 +719,22 @@ subroutine material_parseMicrostructure
allocate(microstructure_texture (microstructure_maxNconstituents,size(config_microstructure)),source=0_pInt)
allocate(microstructure_fraction(microstructure_maxNconstituents,size(config_microstructure)),source=0.0_pReal)
allocate(strings(1)) ! Intel 16.0 Bug
do m=1_pInt, size(config_microstructure)
str = config_microstructure(m)%getStrings('(constituent)',raw=.true.)
do c = 1_pInt, size(str)
chunkPos = IO_stringPos(str(c))
strings = config_microstructure(m)%getStrings('(constituent)',raw=.true.)
do c = 1_pInt, size(strings)
chunkPos = IO_stringPos(strings(c))
do i = 1_pInt,5_pInt,2_pInt
tag = IO_stringValue(str(c),chunkPos,i)
tag = IO_stringValue(strings(c),chunkPos,i)
select case (tag)
case('phase')
microstructure_phase(c,m) = IO_intValue(str(c),chunkPos,i+1_pInt)
microstructure_phase(c,m) = IO_intValue(strings(c),chunkPos,i+1_pInt)
case('texture')
microstructure_texture(c,m) = IO_intValue(str(c),chunkPos,i+1_pInt)
microstructure_texture(c,m) = IO_intValue(strings(c),chunkPos,i+1_pInt)
case('fraction')
microstructure_fraction(c,m) = IO_floatValue(str(c),chunkPos,i+1_pInt)
microstructure_fraction(c,m) = IO_floatValue(strings(c),chunkPos,i+1_pInt)
end select
enddo

45
src/spectral_mech_Basic.f90
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@ -62,8 +62,6 @@ module spectral_mech_basic
integer(pInt), private :: &
totalIter = 0_pInt !< total iteration in current increment
real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
public :: &
basic_init, &
basic_solution, &
@ -234,12 +232,12 @@ type(tSolutionState) function basic_solution(incInfoIn,timeinc,timeinc_old,stres
!--------------------------------------------------------------------------------------------------
! input data for solution
character(len=*), intent(in) :: &
character(len=*), intent(in) :: &
incInfoIn
real(pReal), intent(in) :: &
real(pReal), intent(in) :: &
timeinc, & !< increment time for current solution
timeinc_old !< increment time of last successful increment
type(tBoundaryCondition), intent(in) :: &
type(tBoundaryCondition), intent(in) :: &
stress_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
mask_stress = stress_BC%maskFloat
params%stress_mask = stress_BC%maskFloat
params%stress_BC = stress_BC%values
params%rotation_BC = rotation_BC
params%timeinc = timeinc
@ -287,7 +285,11 @@ end function basic_solution
!--------------------------------------------------------------------------------------------------
!> @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: &
itmax, &
itmin
@ -316,9 +318,9 @@ subroutine Basic_formResidual(in,x_scal,f_scal,dummy,ierr)
implicit none
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in
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, &
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 :: &
PETScIter, &
nfuncs
@ -347,28 +349,29 @@ subroutine Basic_formResidual(in,x_scal,f_scal,dummy,ierr)
!--------------------------------------------------------------------------------------------------
! evaluate constitutive response
call Utilities_constitutiveResponse(f_scal,P_av,C_volAvg,C_minMaxAvg, &
x_scal,params%timeinc, params%rotation_BC)
call Utilities_constitutiveResponse(residuum, & ! "residuum" gets field of first PK stress (to save memory)
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)
!--------------------------------------------------------------------------------------------------
! stress BC handling
deltaF_aim = math_mul3333xx33(S, P_av - params%stress_BC)
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
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"
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_FFTtensorBackward() ! FFT backward of global tensorField_fourier
!--------------------------------------------------------------------------------------------------
! 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
@ -391,9 +394,9 @@ subroutine Basic_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,i
SNES :: snes_local
PetscInt :: PETScIter
PetscReal :: &
xnorm, &
snorm, &
fnorm
xnorm, & ! not used
snorm, & ! not used
fnorm ! not used
SNESConvergedReason :: reason
PetscObject :: dummy
PetscErrorCode :: ierr
@ -457,16 +460,16 @@ subroutine Basic_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,s
restartWrite
implicit none
logical, intent(in) :: &
logical, intent(in) :: &
guess
real(pReal), intent(in) :: &
real(pReal), intent(in) :: &
timeinc_old, &
timeinc, &
loadCaseTime !< remaining time of current load case
type(tBoundaryCondition), intent(in) :: &
stress_BC, &
deformation_BC
real(pReal), dimension(3,3), intent(in) ::&
real(pReal), dimension(3,3), intent(in) :: &
rotation_BC
PetscErrorCode :: ierr
PetscScalar, dimension(:,:,:,:), pointer :: F

35
src/spectral_mech_Polarisation.f90
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@ -27,7 +27,6 @@ module spectral_mech_Polarisation
!--------------------------------------------------------------------------------------------------
! derived types
type(tSolutionParams), private :: params
real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
!--------------------------------------------------------------------------------------------------
! PETSc data
@ -289,7 +288,7 @@ type(tSolutionState) function Polarisation_solution(incInfoIn,timeinc,timeinc_ol
!--------------------------------------------------------------------------------------------------
! set module wide availabe data
mask_stress = stress_BC%maskFloat
params%stress_mask = stress_BC%maskFloat
params%stress_BC = stress_BC%values
params%rotation_BC = rotation_BC
params%timeinc = timeinc
@ -315,7 +314,11 @@ end function Polarisation_solution
!--------------------------------------------------------------------------------------------------
!> @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: &
itmax, &
itmin, &
@ -352,9 +355,9 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
implicit none
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in
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, &
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(:,:,:,:,:) :: &
F, &
F_tau, &
@ -368,20 +371,20 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
integer(pInt) :: &
i, j, k, e
F => x_scal(1:3,1:3,1,&
XG_RANGE,YG_RANGE,ZG_RANGE)
F_tau => x_scal(1:3,1:3,2,&
XG_RANGE,YG_RANGE,ZG_RANGE)
residual_F => f_scal(1:3,1:3,1,&
X_RANGE, Y_RANGE, Z_RANGE)
residual_F_tau => f_scal(1:3,1:3,2,&
X_RANGE, Y_RANGE, Z_RANGE)
F => FandF_tau(1:3,1:3,1,&
XG_RANGE,YG_RANGE,ZG_RANGE)
F_tau => FandF_tau(1:3,1:3,2,&
XG_RANGE,YG_RANGE,ZG_RANGE)
residual_F => residuum(1:3,1:3,1,&
X_RANGE, Y_RANGE, Z_RANGE)
residual_F_tau => residuum(1:3,1:3,2,&
X_RANGE, Y_RANGE, Z_RANGE)
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 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
!--------------------------------------------------------------------------------------------------
@ -494,8 +497,8 @@ subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,
!--------------------------------------------------------------------------------------------------
! stress BC handling
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) + &
mask_stress * (P_av-params%stress_BC))) ! mask = 0.0 for no bc
err_BC = maxval(abs((1.0_pReal-params%stress_mask) * math_mul3333xx33(C_scale,F_aim-F_av) + &
params%stress_mask * (P_av-params%stress_BC))) ! mask = 0.0 for no bc
!--------------------------------------------------------------------------------------------------
! 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(:)
end type tLoadCase
type, public :: tSolutionParams !< @todo use here the type definition for a full loadcase including mask
real(pReal), dimension(3,3) :: stress_BC, rotation_BC
type, public :: tSolutionParams !< @todo use here the type definition for a full loadcase
real(pReal), dimension(3,3) :: stress_mask, stress_BC, rotation_BC
real(pReal) :: timeinc
real(pReal) :: timeincOld
real(pReal) :: density
end type tSolutionParams
type, public :: phaseFieldDataBin !< set of parameters defining a phase field