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DAMASK_EICMD
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next round in modularization

This commit is contained in:
Martin Diehl 2012-07-25 14:01:39 +00:00
parent 9c7a826f00
commit 4ed68bb4ae
5 changed files with 738 additions and 394 deletions
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47
code/DAMASK_spectral_Driver.f90
View File

@ -78,7 +78,8 @@ program DAMASK_spectral_Driver
restartInc restartInc
use numerics, only: & use numerics, only: &
rotation_tol rotation_tol, &
myspectralsolver
use homogenization, only: & use homogenization, only: &
materialpoint_sizeResults, & materialpoint_sizeResults, &
@ -109,10 +110,8 @@ program DAMASK_spectral_Driver
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! variables related to information from load case and geom file ! variables related to information from load case and geom file
real(pReal), dimension(9) :: & real(pReal), dimension(9) :: temp_valueVector !> temporarily from loadcase file when reading in tensors
temp_valueVector !> temporarily from loadcase file when reading in tensors logical, dimension(9) :: temp_maskVector !> temporarily from loadcase file when reading in tensors
logical, dimension(9) :: &
temp_maskVector !> temporarily from loadcase file when reading in tensors
integer(pInt), parameter :: maxNchunksLoadcase = (1_pInt + 9_pInt)*3_pInt +& ! deformation, rotation, and stress integer(pInt), parameter :: maxNchunksLoadcase = (1_pInt + 9_pInt)*3_pInt +& ! deformation, rotation, and stress
(1_pInt + 1_pInt)*5_pInt +& ! time, (log)incs, temp, restartfrequency, and outputfrequency (1_pInt + 1_pInt)*5_pInt +& ! time, (log)incs, temp, restartfrequency, and outputfrequency
1_pInt, & ! dropguessing 1_pInt, & ! dropguessing
@ -147,7 +146,7 @@ program DAMASK_spectral_Driver
call DAMASK_interface_init call DAMASK_interface_init
write(6,'(a)') '' write(6,'(a)') ''
write(6,'(a)') ' <<<+- DAMASK_spectral init -+>>>' write(6,'(a)') ' <<<+- DAMASK_spectral_Driver init -+>>>'
write(6,'(a)') ' $Id$' write(6,'(a)') ' $Id$'
#include "compilation_info.f90" #include "compilation_info.f90"
write(6,'(a)') ' Working Directory: ',trim(getSolverWorkingDirectoryName()) write(6,'(a)') ' Working Directory: ',trim(getSolverWorkingDirectoryName())
@ -343,7 +342,15 @@ print*, 'my Unit closed'
if (debugGeneral) write(6,'(a)') 'Header of result file written out' if (debugGeneral) write(6,'(a)') 'Header of result file written out'
endif endif
call Basic_init() select case (myspectralsolver)
case (DAMASK_spectral_SolverBasic_label)
call basic_init()
case (DAMASK_spectral_SolverAL_label)
call AL_init()
end select
!################################################################################################## !##################################################################################################
! Loop over loadcases defined in the currentLoadcase file ! Loop over loadcases defined in the currentLoadcase file
@ -390,7 +397,10 @@ print*, 'my Unit closed'
write(6,'(a)') '##################################################################' write(6,'(a)') '##################################################################'
write(6,'(A,I5.5,A,es12.5)') 'Increment ', totalIncsCounter, ' Time ',time write(6,'(A,I5.5,A,es12.5)') 'Increment ', totalIncsCounter, ' Time ',time
solres =basic_solution (& select case (myspectralsolver)
case (DAMASK_spectral_SolverBasic_label)
solres = basic_solution (&
guessmode,timeinc,timeinc_old, & guessmode,timeinc,timeinc_old, &
P_BC = bc(currentLoadcase)%stress, & P_BC = bc(currentLoadcase)%stress, &
F_BC = bc(currentLoadcase)%deformation, & F_BC = bc(currentLoadcase)%deformation, &
@ -399,6 +409,18 @@ print*, 'my Unit closed'
velgrad = bc(currentLoadcase)%velGradApplied, & velgrad = bc(currentLoadcase)%velGradApplied, &
rotation_BC = bc(currentLoadcase)%rotation) rotation_BC = bc(currentLoadcase)%rotation)
case (DAMASK_spectral_SolverAL_label)
solres = AL_solution (&
guessmode,timeinc,timeinc_old, &
P_BC = bc(currentLoadcase)%stress, &
F_BC = bc(currentLoadcase)%deformation, &
! temperature_bc = bc(currentLoadcase)%temperature, &
mask_stressVector = bc(currentLoadcase)%maskStressVector, &
velgrad = bc(currentLoadcase)%velGradApplied, &
rotation_BC = bc(currentLoadcase)%rotation)
end select
write(6,'(a)') '' write(6,'(a)') ''
write(6,'(a)') '==================================================================' write(6,'(a)') '=================================================================='
if(solres%converged) then if(solres%converged) then
@ -420,6 +442,15 @@ print*, 'my Unit closed'
enddo incLooping enddo incLooping
enddo loadCaseLooping enddo loadCaseLooping
select case (myspectralsolver)
case (DAMASK_spectral_SolverBasic_label)
call basic_destroy()
case (DAMASK_spectral_SolverAL_label)
call AL_destroy()
end select
write(6,'(a)') '' write(6,'(a)') ''
write(6,'(a)') '##################################################################' write(6,'(a)') '##################################################################'
write(6,'(i6.6,a,i6.6,a,f5.1,a)') convergedCounter, ' out of ', & write(6,'(i6.6,a,i6.6,a,f5.1,a)') convergedCounter, ' out of ', &

259
code/DAMASK_spectral_SolverAL.f90
View File

@ -1,6 +1,263 @@
module DAMASK_spectral_SolverAL module DAMASK_spectral_SolverAL
use DAMASK_spectral_Utilities
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment) use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
use DAMASK_spectral_Utilities
use math
use mesh, only : &
mesh_spectral_getResolution, &
mesh_spectral_getDimension
implicit none
character (len=*), parameter, public :: &
DAMASK_spectral_SolverAL_label = 'AL'
!--------------------------------------------------------------------------------------------------
! common pointwise data
real(pReal), dimension(:,:,:,:,:), allocatable :: F, F_lastInc, F_lambda, F_lambda_lastInc, P
real(pReal), dimension(:,:,:,:), allocatable :: coordinates
real(pReal), dimension(:,:,:), allocatable :: temperature
!--------------------------------------------------------------------------------------------------
! stress, stiffness and compliance average etc.
real(pReal), dimension(3,3) :: &
F_aim = math_I3, &
F_aim_lastInc = math_I3, &
P_av
real(pReal), dimension(3,3,3,3) :: &
C_ref = 0.0_pReal, &
C = 0.0_pReal
!--------------------------------------------------------------------------------------------------
! solution state
contains
subroutine AL_init()
use IO, only: &
IO_read_JobBinaryFile, &
IO_write_JobBinaryFile
use FEsolving, only: &
restartInc
use DAMASK_interface, only: &
getSolverJobName
implicit none
integer(pInt) :: i, j, k
res = mesh_spectral_getResolution()
geomdim = mesh_spectral_getDimension()
allocate (F ( res(1), res(2),res(3),3,3), source = 0.0_pReal)
allocate (F_lastInc ( res(1), res(2),res(3),3,3), source = 0.0_pReal)
allocate (P ( res(1), res(2),res(3),3,3), 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 = 0.0_pReal)
!--------------------------------------------------------------------------------------------------
! init fields
if (restartInc == 1_pInt) then ! no deformation (no restart)
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) = math_I3
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)
enddo; enddo; enddo
elseif (restartInc > 1_pInt) then ! using old values from file
if (debugRestart) write(6,'(a,i6,a)') 'Reading values of increment ',&
restartInc - 1_pInt,' from file'
call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad',&
trim(getSolverJobName()),size(F))
read (777,rec=1) F
close (777)
call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad_lastInc',&
trim(getSolverJobName()),size(F_lastInc))
read (777,rec=1) F_lastInc
close (777)
call IO_read_jobBinaryFile(777,'F_aim',trim(getSolverJobName()),size(F_aim))
read (777,rec=1) F_aim
close (777)
call IO_read_jobBinaryFile(777,'F_aim_lastInc',trim(getSolverJobName()),size(F_aim_lastInc))
read (777,rec=1) F_aim_lastInc
close (777)
coordinates = 0.0 ! change it later!!!
endif
call constitutiveResponse(coordinates,F,F_lastInc,temperature,0.0_pReal,&
P,C,P_av,.false.,math_I3)
!--------------------------------------------------------------------------------------------------
! reference stiffness
if (restartInc == 1_pInt) then
C_ref = C
call IO_write_jobBinaryFile(777,'C_ref',size(C_ref))
write (777,rec=1) C_ref
close(777)
elseif (restartInc > 1_pInt) then
call IO_read_jobBinaryFile(777,'C_ref',trim(getSolverJobName()),size(C_ref))
read (777,rec=1) C_ref
close (777)
endif
call Utilities_Init(C_ref)
end subroutine AL_init
type(solutionState) function AL_solution(guessmode,timeinc,timeinc_old,P_BC,F_BC,mask_stressVector,velgrad,rotation_BC)
use numerics, only: &
itmax,&
itmin
use IO, only: &
IO_write_JobBinaryFile
use FEsolving, only: &
restartWrite
implicit none
!--------------------------------------------------------------------------------------------------
! input data for solution
real(pReal), intent(in) :: timeinc, timeinc_old
real(pReal), intent(in) :: guessmode
logical, intent(in) :: velgrad
real(pReal), dimension(3,3), intent(in) :: P_BC,F_BC,rotation_BC
logical, dimension(9), intent(in) :: mask_stressVector
!--------------------------------------------------------------------------------------------------
! loop variables, convergence etc.
real(pReal), dimension(3,3), parameter :: ones = 1.0_pReal, zeroes = 0.0_pReal
real(pReal), dimension(3,3) :: temp33_Real
real(pReal), dimension(3,3,3,3) :: S
real(pReal), dimension(3,3) :: mask_stress, &
mask_defgrad, &
deltaF_aim, &
F_aim_lab, &
F_aim_lab_lastIter
real(pReal) :: err_div, err_stress
integer(pInt) :: iter
integer(pInt) :: i, j, k
logical :: ForwardData
real(pReal) :: defgradDet
real(pReal) :: defgradDetMax, defgradDetMin
mask_stress = merge(ones,zeroes,reshape(mask_stressVector,[3,3]))
mask_defgrad = merge(zeroes,ones,reshape(mask_stressVector,[3,3]))
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
ForwardData = .True.
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
F_aim_lab = math_rotate_backward33(F_aim,rotation_BC) ! boundary conditions from load frame into lab (Fourier) frame
!--------------------------------------------------------------------------------------------------
! 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))*timeinc/timeinc_old& ! guessing...
+ (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)
iter = 0_pInt
S = S_lastInc(rotation_BC,mask_stressVector,C)
convergenceLoop: do while((iter < itmax .and. (any([err_div ,err_stress] > 1.0_pReal)))&
.or. iter < itmin)
iter = iter + 1_pInt
!--------------------------------------------------------------------------------------------------
! report begin of new iteration
write(6,'(a)') ''
write(6,'(a)') '=================================================================='
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)
F_aim_lab_lastIter = math_rotate_backward33(F_aim,rotation_BC)
!--------------------------------------------------------------------------------------------------
! evaluate constitutive response
call constitutiveResponse(coordinates,F,F_lastInc,temperature,timeinc,&
P,C,P_av,ForwardData,rotation_BC)
ForwardData = .False.
!--------------------------------------------------------------------------------------------------
! stress BC handling
if(any(mask_stressVector)) then ! calculate stress BC if applied
err_stress = BCcorrection(mask_stressVector,P_BC,P_av,F_aim,S)
else
err_stress = 0.0_pReal
endif
F_aim_lab = math_rotate_backward33(F_aim,rotation_BC) ! boundary conditions from load frame into lab (Fourier) frame
!--------------------------------------------------------------------------------------------------
! updated deformation gradient
field_real(1:res(1),1:res(2),1:res(3),1:3,1:3) = P
err_div = convolution(.True.,F_aim_lab_lastIter - F_aim_lab, C_ref)
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) ! 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 convergenceLoop
end function AL_solution
subroutine AL_destroy()
implicit none
call Utilities_destroy()
end subroutine AL_destroy
end module DAMASK_spectral_SolverAL end module DAMASK_spectral_SolverAL

156
code/DAMASK_spectral_SolverBasic.f90
View File

@ -1,11 +1,112 @@
module DAMASK_spectral_SolverBasic module DAMASK_spectral_SolverBasic
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
use DAMASK_spectral_Utilities use DAMASK_spectral_Utilities
use math
use mesh, only : &
mesh_spectral_getResolution, &
mesh_spectral_getDimension
implicit none
character (len=*), parameter, public :: &
DAMASK_spectral_SolverBasic_label = 'basic'
!--------------------------------------------------------------------------------------------------
! common pointwise data
real(pReal), dimension(:,:,:,:,:), allocatable :: F, F_lastInc, P
real(pReal), dimension(:,:,:,:), allocatable :: coordinates
real(pReal), dimension(:,:,:), allocatable :: temperature
!--------------------------------------------------------------------------------------------------
! stress, stiffness and compliance average etc.
real(pReal), dimension(3,3) :: &
F_aim = math_I3, &
F_aim_lastInc = math_I3, &
P_av
real(pReal), dimension(3,3,3,3) :: &
C_ref = 0.0_pReal, &
C = 0.0_pReal
contains contains
subroutine Basic_Init() subroutine basic_init()
call Utilities_Init()
end subroutine basic_Init use IO, only: &
IO_read_JobBinaryFile, &
IO_write_JobBinaryFile
use FEsolving, only: &
restartInc
use DAMASK_interface, only: &
getSolverJobName
implicit none
integer(pInt) :: i,j,k
res = mesh_spectral_getResolution()
geomdim = mesh_spectral_getDimension()
allocate (F ( res(1), res(2),res(3),3,3), source = 0.0_pReal)
allocate (F_lastInc ( res(1), res(2),res(3),3,3), source = 0.0_pReal)
allocate (P ( res(1), res(2),res(3),3,3), 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 = 0.0_pReal)
!--------------------------------------------------------------------------------------------------
! init fields
if (restartInc == 1_pInt) then ! no deformation (no restart)
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) = math_I3
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)
enddo; enddo; enddo
elseif (restartInc > 1_pInt) then ! using old values from file
if (debugRestart) write(6,'(a,i6,a)') 'Reading values of increment ',&
restartInc - 1_pInt,' from file'
call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad',&
trim(getSolverJobName()),size(F))
read (777,rec=1) F
close (777)
call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad_lastInc',&
trim(getSolverJobName()),size(F_lastInc))
read (777,rec=1) F_lastInc
close (777)
call IO_read_jobBinaryFile(777,'F_aim',trim(getSolverJobName()),size(F_aim))
read (777,rec=1) F_aim
close (777)
call IO_read_jobBinaryFile(777,'F_aim_lastInc',trim(getSolverJobName()),size(F_aim_lastInc))
read (777,rec=1) F_aim_lastInc
close (777)
coordinates = 0.0 ! change it later!!!
endif
call constitutiveResponse(coordinates,F,F_lastInc,temperature,0.0_pReal,&
P,C,P_av,.false.,math_I3)
!--------------------------------------------------------------------------------------------------
! reference stiffness
if (restartInc == 1_pInt) then
C_ref = C
call IO_write_jobBinaryFile(777,'C_ref',size(C_ref))
write (777,rec=1) C_ref
close(777)
elseif (restartInc > 1_pInt) then
call IO_read_jobBinaryFile(777,'C_ref',trim(getSolverJobName()),size(C_ref))
read (777,rec=1) C_ref
close (777)
endif
call Utilities_Init(C_ref)
end subroutine basic_init
type(solutionState) function basic_solution(guessmode,timeinc,timeinc_old,P_BC,F_BC,mask_stressVector,velgrad,rotation_BC) type(solutionState) function basic_solution(guessmode,timeinc,timeinc_old,P_BC,F_BC,mask_stressVector,velgrad,rotation_BC)
@ -19,43 +120,32 @@ type(solutionState) function basic_solution(guessmode,timeinc,timeinc_old,P_BC,F
use FEsolving, only: & use FEsolving, only: &
restartWrite restartWrite
implicit none implicit none
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! input data for solution ! input data for solution
real(pReal), intent(in) :: timeinc, timeinc_old real(pReal), intent(in) :: timeinc, timeinc_old
real(pReal), intent(in) :: guessmode real(pReal), intent(in) :: guessmode
logical, intent(in) :: velgrad logical, intent(in) :: velgrad
real(pReal), dimension(3,3), intent(in) :: P_BC,F_BC,rotation_BC real(pReal), dimension(3,3), intent(in) :: P_BC,F_BC,rotation_BC
logical, dimension(9), intent(in) :: mask_stressVector logical, dimension(9), intent(in) :: mask_stressVector
!--------------------------------------------------------------------------------------------------
! loop variables, convergence etc.
real(pReal), dimension(3,3), parameter :: ones = 1.0_pReal, zeroes = 0.0_pReal real(pReal), dimension(3,3), parameter :: ones = 1.0_pReal, zeroes = 0.0_pReal
real(pReal), dimension(3,3) :: temp33_Real
real(pReal), dimension(3,3,3,3) :: S
real(pReal), dimension(3,3) :: mask_stress, &
real(pReal), dimension(3,3) :: temp33_Real ! compliance and stiffness in matrix notation
real(pReal), dimension(3,3,3,3) :: S
real(pReal), dimension(3,3) :: &
mask_stress, &
mask_defgrad, & mask_defgrad, &
deltaF_aim, & deltaF_aim, &
F_aim_lab, & F_aim_lab, &
F_aim_lab_lastIter F_aim_lab_lastIter
!--------------------------------------------------------------------------------------------------
! loop variables, convergence etc.
real(pReal) :: err_div, err_stress real(pReal) :: err_div, err_stress
integer(pInt) :: iter integer(pInt) :: iter
integer(pInt) :: i, j, k integer(pInt) :: i, j, k
logical :: ForwardResults logical :: ForwardData
real(pReal) :: defgradDet real(pReal) :: defgradDet
real(pReal) :: defgradDetMax, defgradDetMin real(pReal) :: defgradDetMax, defgradDetMin
@ -72,7 +162,7 @@ real(pReal), dimension(3,3) :: &
close(777) close(777)
endif endif
ForwardResults = .True. ForwardData = .True.
if (velgrad) then ! calculate deltaF_aim from given L and current F if (velgrad) then ! calculate deltaF_aim from given L and current F
deltaF_aim = timeinc * mask_defgrad * math_mul33x33(F_BC, F_aim) deltaF_aim = timeinc * mask_defgrad * math_mul33x33(F_BC, F_aim)
else ! deltaF_aim = fDot *timeinc where applicable else ! deltaF_aim = fDot *timeinc where applicable
@ -102,7 +192,8 @@ real(pReal), dimension(3,3) :: &
1.0_pReal,F_lastInc,coordinates) 1.0_pReal,F_lastInc,coordinates)
iter = 0_pInt iter = 0_pInt
S = S_lastInc(rotation_BC,mask_stressVector) S = S_lastInc(rotation_BC,mask_stressVector,C)
convergenceLoop: do while((iter < itmax .and. (any([err_div ,err_stress] > 1.0_pReal)))& convergenceLoop: do while((iter < itmax .and. (any([err_div ,err_stress] > 1.0_pReal)))&
.or. iter < itmin) .or. iter < itmin)
@ -118,13 +209,14 @@ S = S_lastInc(rotation_BC,mask_stressVector)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! evaluate constitutive response ! evaluate constitutive response
call constitutiveResponse(coordinates,F,F_lastInc,temperature,timeinc,&
P,C,P_av,ForwardData,rotation_BC)
ForwardData = .False.
call constitutiveResponse(ForwardResults,timeInc)
ForwardResults = .False.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! stress BC handling ! stress BC handling
if(any(mask_stressVector)) then ! calculate stress BC if applied if(any(mask_stressVector)) then ! calculate stress BC if applied
err_stress = BCcorrection(mask_stressVector,P_BC,S) err_stress = BCcorrection(mask_stressVector,P_BC,P_av,F_aim,S)
else else
err_stress = 0.0_pReal err_stress = 0.0_pReal
endif endif
@ -134,7 +226,7 @@ S = S_lastInc(rotation_BC,mask_stressVector)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! updated deformation gradient ! updated deformation gradient
field_real(1:res(1),1:res(2),1:res(3),1:3,1:3) = P field_real(1:res(1),1:res(2),1:res(3),1:3,1:3) = P
err_div = convolution(.True.,F_aim_lab_lastIter - F_aim_lab) err_div = convolution(.True.,F_aim_lab_lastIter - F_aim_lab, C_ref)
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1) 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) ! F(x)^(n+1) = F(x)^(n) + correction; *wgt: correcting for missing normalization 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) ! F(x)^(n+1) = F(x)^(n) + correction; *wgt: correcting for missing normalization
@ -158,4 +250,12 @@ S = S_lastInc(rotation_BC,mask_stressVector)
end function basic_solution end function basic_solution
subroutine basic_destroy()
implicit none
call Utilities_destroy()
end subroutine basic_destroy
end module DAMASK_spectral_SolverBasic end module DAMASK_spectral_SolverBasic

174
code/DAMASK_spectral_Utilities.f90
View File

@ -47,20 +47,6 @@ module DAMASK_spectral_Utilities
implicit none implicit none
type solutionState ! mask of stress boundary conditions
logical :: converged = .false.
logical :: regrid = .false.
logical :: term_ill = .false.
end type solutionState
character(len=5) :: solverType, parameter = 'basic'
!--------------------------------------------------------------------------------------------------
! common pointwise data
real(pReal), dimension(:,:,:,:,:), allocatable :: F, F_lastInc, P
real(pReal), dimension(:,:,:,:), allocatable :: coordinates
real(pReal), dimension(:,:,:), allocatable :: temperature
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! variables storing information for spectral method and FFTW ! variables storing information for spectral method and FFTW
type(C_PTR) :: plan_forward, plan_backward ! plans for fftw type(C_PTR) :: plan_forward, plan_backward ! plans for fftw
@ -86,28 +72,22 @@ module DAMASK_spectral_Utilities
!variables controlling debugging !variables controlling debugging
logical :: debugGeneral, debugDivergence, debugRestart, debugFFTW logical :: debugGeneral, debugDivergence, debugRestart, debugFFTW
!--------------------------------------------------------------------------------------------------
! stress, stiffness and compliance average etc.
real(pReal), dimension(3,3) :: &
F_aim = math_I3, &
F_aim_lastInc = math_I3, &
P_av
real(pReal), dimension(3,3,3,3) :: &
C_ref = 0.0_pReal, &
C = 0.0_pReal
real(pReal), dimension(3) :: geomdim = 0.0_pReal, virt_dim = 0.0_pReal ! physical dimension of volume element per direction real(pReal), dimension(3) :: geomdim = 0.0_pReal, virt_dim = 0.0_pReal ! physical dimension of volume element per direction
integer(pInt), dimension(3) :: res = 1_pInt integer(pInt), dimension(3) :: res = 1_pInt
real(pReal) :: wgt real(pReal) :: wgt
integer(pInt) :: res1_red, Npoints integer(pInt) :: res1_red, Npoints
!--------------------------------------------------------------------------------------------------
! solution state
type solutionState
logical :: converged = .false.
logical :: regrid = .false.
logical :: term_ill = .false.
end type solutionState
contains contains
subroutine Utilities_init(F,P,F_...) subroutine Utilities_init(C_ref)
use DAMASK_interface, only: &
getSolverJobName
use mesh, only : & use mesh, only : &
mesh_spectral_getResolution, & mesh_spectral_getResolution, &
@ -127,23 +107,16 @@ subroutine Utilities_init(F,P,F_...)
debug_spectralRestart, & debug_spectralRestart, &
debug_spectralFFTW debug_spectralFFTW
use FEsolving, only: &
restartInc
use numerics, only: & use numerics, only: &
memory_efficient memory_efficient
use CPFEM, only: &
CPFEM_general
use IO, only: &
IO_read_JobBinaryFile, &
IO_write_JobBinaryFile
implicit none implicit none
real(pReal), dimension(3,3) :: temp33_Real, xiDyad real(pReal), dimension(3,3) :: temp33_Real, xiDyad
integer(pInt) :: i, j, k, l, m, n, q, ierr integer(pInt) :: i, j, k, l, m, n, q, ierr
integer(pInt), dimension(3) :: k_s integer(pInt), dimension(3) :: k_s
real(pReal), dimension(3,3,3,3) :: &
C_ref
type(C_PTR) :: tensorField ! field in real and fourier space type(C_PTR) :: tensorField ! field in real and fourier space
type(C_PTR) :: scalarField_realC, scalarField_fourierC type(C_PTR) :: scalarField_realC, scalarField_fourierC
@ -151,7 +124,7 @@ subroutine Utilities_init(F,P,F_...)
write(6,'(a)') '' write(6,'(a)') ''
write(6,'(a)') ' <<<+- DAMASK_spectralSolver init -+>>>' write(6,'(a)') ' <<<+- DAMASK_spectralSolver Utilities init -+>>>'
write(6,'(a)') ' $Id$' write(6,'(a)') ' $Id$'
#include "compilation_info.f90" #include "compilation_info.f90"
write(6,'(a)') '' write(6,'(a)') ''
@ -172,12 +145,7 @@ subroutine Utilities_init(F,P,F_...)
Npoints = res(1)*res(2)*res(3) Npoints = res(1)*res(2)*res(3)
wgt = 1.0/real(Npoints,pReal) wgt = 1.0/real(Npoints,pReal)
allocate (F ( 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) ! start out isothermally
allocate (F_lastInc ( res(1), res(2),res(3),3,3), source = 0.0_pReal)
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 = 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) 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_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 call c_f_pointer(tensorField, field_fourier, [ res1_red, res(2),res(3),3,3]) ! place a pointer for a complex representation on tensorField
@ -233,37 +201,6 @@ subroutine Utilities_init(F,P,F_...)
if (debugGeneral) write(6,'(a)') 'FFTW initialized' if (debugGeneral) write(6,'(a)') 'FFTW initialized'
!--------------------------------------------------------------------------------------------------
! init fields
if (restartInc == 1_pInt) then ! no deformation (no restart)
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) = math_I3
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)
enddo; enddo; enddo
elseif (restartInc > 1_pInt) then ! using old values from file
if (debugRestart) write(6,'(a,i6,a)') 'Reading values of increment ',&
restartInc - 1_pInt,' from file'
call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad',&
trim(getSolverJobName()),size(F))
read (777,rec=1) F
close (777)
call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad_lastInc',&
trim(getSolverJobName()),size(F_lastInc))
read (777,rec=1) F_lastInc
close (777)
call IO_read_jobBinaryFile(777,'F_aim',trim(getSolverJobName()),size(F_aim))
read (777,rec=1) F_aim
close (777)
call IO_read_jobBinaryFile(777,'F_aim_lastInc',trim(getSolverJobName()),size(F_aim_lastInc))
read (777,rec=1) F_aim_lastInc
close (777)
coordinates = 0.0 ! change it later!!!
endif
call constitutiveResponse(.FALSE.,0.0_pReal)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculation of discrete angular frequencies, ordered as in FFTW (wrap around) ! calculation of discrete angular frequencies, ordered as in FFTW (wrap around)
if (divergence_correction) then if (divergence_correction) then
@ -285,19 +222,6 @@ subroutine Utilities_init(F,P,F_...)
xi(1:3,i,j,k) = real(k_s, pReal)/virt_dim xi(1:3,i,j,k) = real(k_s, pReal)/virt_dim
enddo; enddo; enddo enddo; enddo; enddo
!--------------------------------------------------------------------------------------------------
! calculate the gamma operator
if (restartInc == 1_pInt) then
C_ref = C
call IO_write_jobBinaryFile(777,'C_ref',size(C_ref))
write (777,rec=1) C_ref
close(777)
elseif (restartInc > 1_pInt) then
call IO_read_jobBinaryFile(777,'C_ref',trim(getSolverJobName()),size(C_ref))
read (777,rec=1) C_ref
close (777)
endif
if(memory_efficient) then ! allocate just single fourth order tensor if(memory_efficient) then ! allocate just single fourth order tensor
allocate (gamma_hat(1,1,1,3,3,3,3), source = 0.0_pReal) allocate (gamma_hat(1,1,1,3,3,3,3), source = 0.0_pReal)
else ! precalculation of gamma_hat field else ! precalculation of gamma_hat field
@ -317,14 +241,17 @@ subroutine Utilities_init(F,P,F_...)
endif endif
end subroutine Utilities_init end subroutine Utilities_init
real(pReal) function convolution(calcDivergence, field_aim,) real(pReal) function convolution(calcDivergence,field_aim,C_ref)
use numerics, only: & use numerics, only: &
memory_efficient, & memory_efficient, &
err_div_tol err_div_tol
real(pReal), dimension(3,3) :: xiDyad ! product of wave vectors real(pReal), dimension(3,3) :: xiDyad ! product of wave vectors
real(pReal) :: err_div = 0.0_pReal real(pReal) :: err_div = 0.0_pReal
real(pReal), dimension(3,3) :: temp33_Real real(pReal), dimension(3,3) :: temp33_Real
integer(pInt) :: i, j, k, l, m, n, q integer(pInt) :: i, j, k, l, m, n, q
real(pReal), dimension(3,3,3,3) :: C_ref
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!variables for additional output due to general debugging !variables for additional output due to general debugging
@ -337,7 +264,7 @@ real(pReal) function convolution(calcDivergence, field_aim,)
complex(pReal), dimension(3) :: temp3_complex complex(pReal), dimension(3) :: temp3_complex
complex(pReal), dimension(3,3) :: temp33_complex complex(pReal), dimension(3,3) :: temp33_complex
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! actual spectral method ! actual spectral method
write(6,'(a)') '' write(6,'(a)') ''
write(6,'(a)') '... doing convolution .................' write(6,'(a)') '... doing convolution .................'
@ -388,7 +315,7 @@ real(pReal) function convolution(calcDivergence, field_aim,)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculating RMS divergence criterion in Fourier space ! calculating RMS divergence criterion in Fourier space
if( calcDivergence) then if(calcDivergence) then
field_avg = real(field_fourier(1,1,1,1:3,1:3),pReal)*wgt 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) field_av_L2 = sqrt(maxval(math_eigenvalues33(math_mul33x33(field_avg,& ! L_2 norm of average stress (http://mathworld.wolfram.com/SpectralNorm.html)
@ -456,7 +383,6 @@ real(pReal) function convolution(calcDivergence, field_aim,)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! to the actual spectral method calculation (mechanical equilibrium) ! to the actual spectral method calculation (mechanical equilibrium)
if(memory_efficient) then ! memory saving version, on-the-fly calculation of gamma_hat if(memory_efficient) then ! memory saving version, on-the-fly calculation of gamma_hat
do k = 1_pInt, res(3); do j = 1_pInt, res(2) ;do i = 1_pInt, res1_red do k = 1_pInt, res(3); do j = 1_pInt, res(2) ;do i = 1_pInt, res1_red
if(any([i,j,k] /= 1_pInt)) then ! singular point at xi=(0.0,0.0,0.0) i.e. i=j=k=1 if(any([i,j,k] /= 1_pInt)) then ! singular point at xi=(0.0,0.0,0.0) i.e. i=j=k=1
forall(l = 1_pInt:3_pInt, m = 1_pInt:3_pInt) & forall(l = 1_pInt:3_pInt, m = 1_pInt:3_pInt) &
@ -472,16 +398,13 @@ real(pReal) function convolution(calcDivergence, field_aim,)
field_fourier(i,j,k,1:3,1:3) = temp33_Complex field_fourier(i,j,k,1:3,1:3) = temp33_Complex
endif endif
enddo; enddo; enddo enddo; enddo; enddo
else ! use precalculated gamma-operator else ! use precalculated gamma-operator
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt,res1_red 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) & 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) *& temp33_Complex(m,n) = sum(gamma_hat(i,j,k, m,n, 1:3,1:3) *&
field_fourier(i,j,k,1:3,1:3)) field_fourier(i,j,k,1:3,1:3))
field_fourier(i,j,k, 1:3,1:3) = temp33_Complex field_fourier(i,j,k, 1:3,1:3) = temp33_Complex
enddo; enddo; enddo enddo; enddo; enddo
endif endif
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 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
@ -542,12 +465,15 @@ real(pReal) function convolution(calcDivergence, field_aim,)
endif endif
field_real = field_real * wgt field_real = field_real * wgt
convolution = err_div/err_div_tol convolution = err_div/err_div_tol
end function convolution end function convolution
function S_lastInc(rot_BC,mask_stressVector1) function S_lastInc(rot_BC,mask_stressVector1,C)
real(pReal), dimension(3,3,3,3) :: S_lastInc real(pReal), dimension(3,3,3,3) :: S_lastInc
integer(pInt) :: i, j, k, m,n real(pReal), dimension(3,3,3,3), intent(in) :: C
integer(pInt) :: i, j, k, m, n
real(pReal), dimension(3,3), intent(in) :: rot_BC real(pReal), dimension(3,3), intent(in) :: rot_BC
logical, dimension(9), intent(in) :: mask_stressVector1 logical, dimension(9), intent(in) :: mask_stressVector1
real(pReal), dimension(3,3,3,3) :: C_lastInc real(pReal), dimension(3,3,3,3) :: C_lastInc
@ -556,13 +482,9 @@ function S_lastInc(rot_BC,mask_stressVector1)
real(pReal), dimension(:,:), allocatable :: s_reduced, c_reduced ! reduced compliance and stiffness (only for stress BC) real(pReal), dimension(:,:), allocatable :: s_reduced, c_reduced ! reduced compliance and stiffness (only for stress BC)
logical :: errmatinv logical :: errmatinv
size_reduced = count(mask_stressVector1) size_reduced = count(mask_stressVector1)
if (allocated(c_reduced)) deallocate(c_reduced)
if (allocated(c_reduced)) deallocate(c_reduced)
allocate (c_reduced(size_reduced,size_reduced), source =0.0_pReal) allocate (c_reduced(size_reduced,size_reduced), source =0.0_pReal)
allocate (s_reduced(size_reduced,size_reduced), source =0.0_pReal) allocate (s_reduced(size_reduced,size_reduced), source =0.0_pReal)
C_lastInc = math_rotate_forward3333(C,rot_BC) ! calculate stiffness from former inc C_lastInc = math_rotate_forward3333(C,rot_BC) ! calculate stiffness from former inc
temp99_Real = math_Plain3333to99(C_lastInc) temp99_Real = math_Plain3333to99(C_lastInc)
k = 0_pInt ! build reduced stiffness k = 0_pInt ! build reduced stiffness
@ -588,9 +510,7 @@ function S_lastInc(rot_BC,mask_stressVector1)
j = j + 1_pInt j = j + 1_pInt
temp99_Real(n,m) = s_reduced(k,j) temp99_Real(n,m) = s_reduced(k,j)
endif; enddo; endif; enddo endif; enddo; endif; enddo
S_lastInc = (math_Plain99to3333(temp99_Real)) S_lastInc = math_Plain99to3333(temp99_Real)
if (allocated(c_reduced)) deallocate(c_reduced)
if (allocated(c_reduced)) deallocate(c_reduced)
end function S_lastInc end function S_lastInc
@ -598,14 +518,18 @@ end function S_lastInc
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculate reduced compliance ! calculate reduced compliance
real(pReal) function BCcorrection(mask_stressVector,P_BC,S_lastInc) real(pReal) function BCcorrection(mask_stressVector,P_BC,P_av,F_aim,S_lastInc)
use numerics, only: err_stress_tolrel, err_stress_tolabs
use numerics, only: err_stress_tolrel, err_stress_tolabs
logical, dimension(9) :: mask_stressVector logical, dimension(9) :: mask_stressVector
real(pReal) :: err_stress, err_stress_tol real(pReal) :: err_stress, err_stress_tol
real(pReal), dimension(3,3), parameter :: ones = 1.0_pReal, zeroes = 0.0_pReal real(pReal), dimension(3,3), parameter :: ones = 1.0_pReal, zeroes = 0.0_pReal
real(pReal), dimension(3,3,3,3) :: S_lastInc real(pReal), dimension(3,3,3,3) :: S_lastInc
real(pReal), dimension(3,3) :: & real(pReal), dimension(3,3) :: &
P_BC , & P_BC , &
P_av, &
F_aim, &
mask_stress, & mask_stress, &
mask_defgrad mask_defgrad
mask_stress = merge(ones,zeroes,reshape(mask_stressVector,[3,3])) mask_stress = merge(ones,zeroes,reshape(mask_stressVector,[3,3]))
@ -613,7 +537,7 @@ use numerics, only: err_stress_tolrel, err_stress_tolabs
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! stress BC handling ! stress BC handling
! calculate stress BC if applied ! calculate stress BC if applied
err_stress = maxval(abs(mask_stress * (P_av - P_BC))) ! maximum deviaton (tensor norm not applicable) 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 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)') ''
@ -623,23 +547,33 @@ use numerics, only: err_stress_tolrel, err_stress_tolabs
F_aim = F_aim - math_mul3333xx33(S_lastInc, ((P_av - P_BC))) ! residual on given stress components 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) write(6,'(a,1x,es11.4)')'determinant of new deformation = ',math_det33(F_aim)
BCcorrection = err_stress/err_stress_tol BCcorrection = err_stress/err_stress_tol
end function BCcorrection end function BCcorrection
subroutine constitutiveResponse(F,P,ForwardData,timeinc) subroutine constitutiveResponse(coordinates,F,F_lastInc,temperature,timeinc,&
P,C,P_av,ForwardData,rotation_BC)
use debug, only: & use debug, only: &
debug_reset, & debug_reset, &
debug_info debug_info
use CPFEM, only: & use CPFEM, only: &
CPFEM_general CPFEM_general
use FEsolving, only: restartWrite use FEsolving, only: restartWrite
implicit none
real(pReal), dimension(res(1),res(2),res(3)) :: temperature
real(pReal), dimension(res(1),res(2),res(3),3) :: coordinates
real(pReal), dimension(res(1),res(2),res(3),3,3) :: F,F_lastInc, P
real(pReal) :: timeinc real(pReal) :: timeinc
logical :: ForwardData logical :: ForwardData
integer(pInt) :: i, j, k, ielem integer(pInt) :: i, j, k, ielem
integer(pInt) :: CPFEM_mode integer(pInt) :: CPFEM_mode
real(pReal), dimension(3,3,3,3) :: dPdF real(pReal), dimension(3,3,3,3) :: dPdF, C
real(pReal), dimension(6) :: sigma ! cauchy stress real(pReal), dimension(6) :: sigma ! cauchy stress
real(pReal), dimension(6,6) :: dsde real(pReal), dimension(6,6) :: dsde
real(pReal), dimension(3,3) :: P_av_lab, rotation_BC real(pReal), dimension(3,3) :: P_av_lab, P_av, rotation_BC
if (ForwardData) then if (ForwardData) then
CPFEM_mode = 1_pInt CPFEM_mode = 1_pInt
else else
@ -678,4 +612,22 @@ use FEsolving, only: restartWrite
C = C * wgt C = C * wgt
end subroutine constitutiveResponse end subroutine constitutiveResponse
subroutine Utilities_destroy
implicit none
if (debugDivergence) then
call fftw_destroy_plan(plan_divergence)
endif
if (debugFFTW) then
call fftw_destroy_plan(plan_scalarField_forth)
call fftw_destroy_plan(plan_scalarField_back)
endif
call fftw_destroy_plan(plan_forward)
call fftw_destroy_plan(plan_backward)
end subroutine Utilities_destroy
end module DAMASK_spectral_Utilities end module DAMASK_spectral_Utilities

8
code/numerics.f90
View File

@ -79,7 +79,8 @@ real(pReal) :: err_div_tol = 0.1_pReal, &
err_stress_tolabs = huge(1.0_pReal), & ! absolute tolerance for fullfillment of stress BC, Default: 0.01 allowing deviation of 1% of maximum stress err_stress_tolabs = huge(1.0_pReal), & ! absolute tolerance for fullfillment of stress BC, Default: 0.01 allowing deviation of 1% of maximum stress
fftw_timelimit = -1.0_pReal, & ! sets the timelimit of plan creation for FFTW, see manual on www.fftw.org, Default -1.0: disable timelimit fftw_timelimit = -1.0_pReal, & ! sets the timelimit of plan creation for FFTW, see manual on www.fftw.org, Default -1.0: disable timelimit
rotation_tol = 1.0e-12_pReal ! tolerance of rotation specified in loadcase, Default 1.0e-12: first guess rotation_tol = 1.0e-12_pReal ! tolerance of rotation specified in loadcase, Default 1.0e-12: first guess
character(len=64) :: fftw_plan_mode = 'FFTW_PATIENT' ! reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag character(len=64) :: fftw_plan_mode = 'FFTW_PATIENT', & ! reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag
myspectralsolver = 'basic' ! spectral solution method
integer(pInt) :: fftw_planner_flag = 32_pInt, & ! conversion of fftw_plan_mode to integer, basically what is usually done in the include file of fftw integer(pInt) :: fftw_planner_flag = 32_pInt, & ! conversion of fftw_plan_mode to integer, basically what is usually done in the include file of fftw
itmax = 20_pInt, & ! maximum number of iterations itmax = 20_pInt, & ! maximum number of iterations
itmin = 2_pInt ! minimum number of iterations itmin = 2_pInt ! minimum number of iterations
@ -247,6 +248,8 @@ subroutine numerics_init
fftw_timelimit = IO_floatValue(line,positions,2_pInt) fftw_timelimit = IO_floatValue(line,positions,2_pInt)
case ('fftw_plan_mode') case ('fftw_plan_mode')
fftw_plan_mode = IO_stringValue(line,positions,2_pInt) fftw_plan_mode = IO_stringValue(line,positions,2_pInt)
case ('myspectralsolver')
myspectralsolver = IO_stringValue(line,positions,2_pInt)
case ('rotation_tol') case ('rotation_tol')
rotation_tol = IO_floatValue(line,positions,2_pInt) rotation_tol = IO_floatValue(line,positions,2_pInt)
case ('divergence_correction') case ('divergence_correction')
@ -256,7 +259,7 @@ subroutine numerics_init
#endif #endif
#ifndef Spectral #ifndef Spectral
case ('err_div_tol','err_stress_tolrel','err_stress_tolabs',& case ('err_div_tol','err_stress_tolrel','err_stress_tolabs',&
'itmax', 'itmin','memory_efficient','fftw_timelimit','fftw_plan_mode', & 'itmax', 'itmin','memory_efficient','fftw_timelimit','fftw_plan_mode','myspectralsolver', &
'rotation_tol','divergence_correction','update_gamma') 'rotation_tol','divergence_correction','update_gamma')
call IO_warning(40_pInt,ext_msg=tag) call IO_warning(40_pInt,ext_msg=tag)
#endif #endif
@ -348,6 +351,7 @@ subroutine numerics_init
write(6,'(a24,1x,es8.1)') ' fftw_timelimit: ',fftw_timelimit write(6,'(a24,1x,es8.1)') ' fftw_timelimit: ',fftw_timelimit
endif endif
write(6,'(a24,1x,a)') ' fftw_plan_mode: ',trim(fftw_plan_mode) write(6,'(a24,1x,a)') ' fftw_plan_mode: ',trim(fftw_plan_mode)
write(6,'(a24,1x,a)') ' myspectralsolver: ',trim(myspectralsolver)
write(6,'(a24,1x,i8)') ' fftw_planner_flag: ',fftw_planner_flag write(6,'(a24,1x,i8)') ' fftw_planner_flag: ',fftw_planner_flag
write(6,'(a24,1x,es8.1)') ' rotation_tol: ',rotation_tol write(6,'(a24,1x,es8.1)') ' rotation_tol: ',rotation_tol
write(6,'(a24,1x,L8,/)') ' divergence_correction: ',divergence_correction write(6,'(a24,1x,L8,/)') ' divergence_correction: ',divergence_correction