Merge branch 'development' into NoCoreModule
This commit is contained in:
Martin Diehl
commit
14394e7e13
|
|
@ -139,6 +139,7 @@ program DAMASK_spectral
|
|||
integer(MPI_OFFSET_KIND) :: fileOffset
|
||||
integer(MPI_OFFSET_KIND), dimension(:), allocatable :: outputSize
|
||||
integer(pInt), parameter :: maxByteOut = 2147483647-4096 !< limit of one file output write https://trac.mpich.org/projects/mpich/ticket/1742
|
||||
integer(pInt), parameter :: maxRealOut = maxByteOut/pReal
|
||||
integer(pLongInt), dimension(2) :: outputIndex
|
||||
PetscErrorCode :: ierr
|
||||
external :: &
|
||||
|
|
@ -444,8 +445,8 @@ program DAMASK_spectral
|
|||
|
||||
if (.not. appendToOutFile) then ! if not restarting, write 0th increment
|
||||
do i=1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
|
||||
outputIndex=int([(i-1_pInt)*((maxByteOut/pReal)/materialpoint_sizeResults)+1_pInt, &
|
||||
min(i*((maxByteOut/pReal)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
|
||||
outputIndex=int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, &
|
||||
min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
|
||||
call MPI_file_write(resUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)),&
|
||||
[(outputIndex(2)-outputIndex(1)+1)*materialpoint_sizeResults]), &
|
||||
(outputIndex(2)-outputIndex(1)+1)*materialpoint_sizeResults,&
|
||||
|
|
@ -471,7 +472,7 @@ program DAMASK_spectral
|
|||
! forwarding time
|
||||
timeIncOld = timeinc
|
||||
if (loadCases(currentLoadCase)%logscale == 0_pInt) then ! linear scale
|
||||
timeinc = loadCases(currentLoadCase)%time/loadCases(currentLoadCase)%incs ! only valid for given linear time scale. will be overwritten later in case loglinear scale is used
|
||||
timeinc = loadCases(currentLoadCase)%time/real(loadCases(currentLoadCase)%incs,pReal) ! only valid for given linear time scale. will be overwritten later in case loglinear scale is used
|
||||
else
|
||||
if (currentLoadCase == 1_pInt) then ! 1st currentLoadCase of logarithmic scale
|
||||
if (inc == 1_pInt) then ! 1st inc of 1st currentLoadCase of logarithmic scale
|
||||
|
|
@ -653,8 +654,8 @@ program DAMASK_spectral
|
|||
call MPI_file_seek (resUnit,fileOffset,MPI_SEEK_SET,ierr)
|
||||
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_seek')
|
||||
do i=1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
|
||||
outputIndex=int([(i-1_pInt)*((maxByteOut/pReal)/materialpoint_sizeResults)+1_pInt, &
|
||||
min(i*((maxByteOut/pReal)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
|
||||
outputIndex=int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, &
|
||||
min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
|
||||
call MPI_file_write(resUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)),&
|
||||
[(outputIndex(2)-outputIndex(1)+1)*materialpoint_sizeResults]), &
|
||||
(outputIndex(2)-outputIndex(1)+1)*materialpoint_sizeResults,&
|
||||
|
|
|
|||
|
|
@ -223,8 +223,7 @@ function hydrogenflux_cahnhilliard_getMobility33(ip,el)
|
|||
enddo
|
||||
|
||||
hydrogenflux_cahnhilliard_getMobility33 = &
|
||||
hydrogenflux_cahnhilliard_getMobility33/ &
|
||||
homogenization_Ngrains(mesh_element(3,el))
|
||||
hydrogenflux_cahnhilliard_getMobility33/real(homogenization_Ngrains(mesh_element(3,el)),pReal)
|
||||
|
||||
end function hydrogenflux_cahnhilliard_getMobility33
|
||||
|
||||
|
|
@ -258,8 +257,7 @@ function hydrogenflux_cahnhilliard_getDiffusion33(ip,el)
|
|||
enddo
|
||||
|
||||
hydrogenflux_cahnhilliard_getDiffusion33 = &
|
||||
hydrogenflux_cahnhilliard_getDiffusion33/ &
|
||||
homogenization_Ngrains(mesh_element(3,el))
|
||||
hydrogenflux_cahnhilliard_getDiffusion33/real(homogenization_Ngrains(mesh_element(3,el)),pReal)
|
||||
|
||||
end function hydrogenflux_cahnhilliard_getDiffusion33
|
||||
|
||||
|
|
@ -295,8 +293,7 @@ function hydrogenflux_cahnhilliard_getFormationEnergy(ip,el)
|
|||
enddo
|
||||
|
||||
hydrogenflux_cahnhilliard_getFormationEnergy = &
|
||||
hydrogenflux_cahnhilliard_getFormationEnergy/ &
|
||||
homogenization_Ngrains(mesh_element(3,el))
|
||||
hydrogenflux_cahnhilliard_getFormationEnergy/real(homogenization_Ngrains(mesh_element(3,el)),pReal)
|
||||
|
||||
end function hydrogenflux_cahnhilliard_getFormationEnergy
|
||||
|
||||
|
|
@ -331,10 +328,9 @@ function hydrogenflux_cahnhilliard_getEntropicCoeff(ip,el)
|
|||
lattice_hydrogenSurfaceEnergy(material_phase(grain,ip,el))
|
||||
enddo
|
||||
|
||||
hydrogenflux_cahnhilliard_getEntropicCoeff = &
|
||||
hydrogenflux_cahnhilliard_getEntropicCoeff* &
|
||||
hydrogenflux_cahnhilliard_getEntropicCoeff = hydrogenflux_cahnhilliard_getEntropicCoeff* &
|
||||
temperature(material_homog(ip,el))%p(thermalMapping(material_homog(ip,el))%p(ip,el))/ &
|
||||
homogenization_Ngrains(material_homog(ip,el))
|
||||
real(homogenization_Ngrains(material_homog(ip,el)),pReal)
|
||||
|
||||
end function hydrogenflux_cahnhilliard_getEntropicCoeff
|
||||
|
||||
|
|
@ -393,8 +389,8 @@ subroutine hydrogenflux_cahnhilliard_KinematicChemPotAndItsTangent(KPot, dKPot_d
|
|||
enddo
|
||||
enddo
|
||||
|
||||
KPot = KPot/homogenization_Ngrains(material_homog(ip,el))
|
||||
dKPot_dCh = dKPot_dCh/homogenization_Ngrains(material_homog(ip,el))
|
||||
KPot = KPot/real(homogenization_Ngrains(material_homog(ip,el)),pReal)
|
||||
dKPot_dCh = dKPot_dCh/real(homogenization_Ngrains(material_homog(ip,el)),pReal)
|
||||
|
||||
end subroutine hydrogenflux_cahnhilliard_KinematicChemPotAndItsTangent
|
||||
|
||||
|
|
|
|||
|
|
@ -42,7 +42,6 @@ module spectral_damage
|
|||
integer(pInt), private :: totalIter = 0_pInt !< total iteration in current increment
|
||||
real(pReal), dimension(3,3), private :: D_ref
|
||||
real(pReal), private :: mobility_ref
|
||||
character(len=1024), private :: incInfo
|
||||
|
||||
public :: &
|
||||
spectral_damage_init, &
|
||||
|
|
@ -50,21 +49,7 @@ module spectral_damage
|
|||
spectral_damage_forward, &
|
||||
spectral_damage_destroy
|
||||
external :: &
|
||||
VecDestroy, &
|
||||
DMDestroy, &
|
||||
DMDACreate3D, &
|
||||
DMCreateGlobalVector, &
|
||||
DMDASNESSetFunctionLocal, &
|
||||
PETScFinalize, &
|
||||
SNESDestroy, &
|
||||
SNESGetNumberFunctionEvals, &
|
||||
SNESGetIterationNumber, &
|
||||
SNESSolve, &
|
||||
SNESSetDM, &
|
||||
SNESGetConvergedReason, &
|
||||
SNESSetConvergenceTest, &
|
||||
SNESSetFromOptions, &
|
||||
SNESCreate, &
|
||||
MPI_Abort, &
|
||||
MPI_Bcast, &
|
||||
MPI_Allreduce
|
||||
|
|
@ -90,15 +75,30 @@ subroutine spectral_damage_init()
|
|||
damage_nonlocal_getMobility
|
||||
|
||||
implicit none
|
||||
integer(pInt), dimension(:), allocatable :: localK
|
||||
integer(pInt) :: proc
|
||||
integer(pInt) :: i, j, k, cell
|
||||
DM :: damage_grid
|
||||
Vec :: uBound, lBound
|
||||
PetscErrorCode :: ierr
|
||||
PetscObject :: dummy
|
||||
integer(pInt), dimension(:), allocatable :: localK
|
||||
integer(pInt) :: proc
|
||||
integer(pInt) :: i, j, k, cell
|
||||
character(len=100) :: snes_type
|
||||
|
||||
external :: &
|
||||
SNESCreate, &
|
||||
SNESSetOptionsPrefix, &
|
||||
DMDACreate3D, &
|
||||
SNESSetDM, &
|
||||
DMDAGetCorners, &
|
||||
DMCreateGlobalVector, &
|
||||
DMDASNESSetFunctionLocal, &
|
||||
SNESSetFromOptions, &
|
||||
SNESGetType, &
|
||||
VecSet, &
|
||||
DMGetGlobalVector, &
|
||||
DMRestoreGlobalVector, &
|
||||
SNESVISetVariableBounds
|
||||
|
||||
mainProcess: if (worldrank == 0_pInt) then
|
||||
write(6,'(/,a)') ' <<<+- spectral_damage init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
|
|
@ -194,12 +194,18 @@ type(tSolutionState) function spectral_damage_solution(guess,timeinc,timeinc_old
|
|||
integer(pInt) :: i, j, k, cell
|
||||
PetscInt ::position
|
||||
PetscReal :: minDamage, maxDamage, stagNorm, solnNorm
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! PETSc Data
|
||||
PetscErrorCode :: ierr
|
||||
SNESConvergedReason :: reason
|
||||
|
||||
|
||||
external :: &
|
||||
VecMin, &
|
||||
VecMax, &
|
||||
SNESSolve, &
|
||||
SNESGetConvergedReason
|
||||
|
||||
spectral_damage_solution%converged =.false.
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -353,10 +359,13 @@ subroutine spectral_damage_forward(guess,timeinc,timeinc_old,loadCaseTime)
|
|||
timeinc, &
|
||||
loadCaseTime !< remaining time of current load case
|
||||
logical, intent(in) :: guess
|
||||
PetscErrorCode :: ierr
|
||||
integer(pInt) :: i, j, k, cell
|
||||
DM :: dm_local
|
||||
PetscScalar, dimension(:,:,:), pointer :: x_scal
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
external :: &
|
||||
SNESGetDM
|
||||
|
||||
if (cutBack) then
|
||||
damage_current = damage_lastInc
|
||||
|
|
@ -400,6 +409,10 @@ subroutine spectral_damage_destroy()
|
|||
implicit none
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
external :: &
|
||||
VecDestroy, &
|
||||
SNESDestroy
|
||||
|
||||
call VecDestroy(solution,ierr); CHKERRQ(ierr)
|
||||
call SNESDestroy(damage_snes,ierr); CHKERRQ(ierr)
|
||||
|
||||
|
|
|
|||
|
|
@ -22,7 +22,7 @@ module spectral_mech_AL
|
|||
DAMASK_spectral_solverAL_label = 'al'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! derived types
|
||||
! derived types
|
||||
type(tSolutionParams), private :: params
|
||||
real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
|
||||
|
||||
|
|
@ -31,7 +31,7 @@ module spectral_mech_AL
|
|||
DM, private :: da
|
||||
SNES, private :: snes
|
||||
Vec, private :: solution_vec
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! common pointwise data
|
||||
real(pReal), private, dimension(:,:,:,:,:), allocatable :: &
|
||||
|
|
@ -72,21 +72,7 @@ module spectral_mech_AL
|
|||
AL_forward, &
|
||||
AL_destroy
|
||||
external :: &
|
||||
VecDestroy, &
|
||||
DMDestroy, &
|
||||
DMDACreate3D, &
|
||||
DMCreateGlobalVector, &
|
||||
DMDASNESSetFunctionLocal, &
|
||||
PETScFinalize, &
|
||||
SNESDestroy, &
|
||||
SNESGetNumberFunctionEvals, &
|
||||
SNESGetIterationNumber, &
|
||||
SNESSolve, &
|
||||
SNESSetDM, &
|
||||
SNESGetConvergedReason, &
|
||||
SNESSetConvergenceTest, &
|
||||
SNESSetFromOptions, &
|
||||
SNESCreate, &
|
||||
MPI_Abort, &
|
||||
MPI_Bcast, &
|
||||
MPI_Allreduce
|
||||
|
|
@ -136,11 +122,22 @@ subroutine AL_init
|
|||
integer(pInt) :: proc
|
||||
character(len=1024) :: rankStr
|
||||
|
||||
if (worldrank == 0_pInt) then
|
||||
external :: &
|
||||
SNESCreate, &
|
||||
SNESSetOptionsPrefix, &
|
||||
DMDACreate3D, &
|
||||
SNESSetDM, &
|
||||
DMCreateGlobalVector, &
|
||||
DMDASNESSetFunctionLocal, &
|
||||
SNESGetConvergedReason, &
|
||||
SNESSetConvergenceTest, &
|
||||
SNESSetFromOptions
|
||||
|
||||
mainProcess: if (worldrank == 0_pInt) then
|
||||
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverAL init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
endif
|
||||
endif mainProcess
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate global fields
|
||||
|
|
@ -150,7 +147,7 @@ subroutine AL_init
|
|||
allocate (F_lambdaDot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! PETSc Init
|
||||
! initialize solver specific parts of PETSc
|
||||
call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
|
||||
call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
|
||||
allocate(localK(worldsize), source = 0); localK(worldrank+1) = grid3
|
||||
|
|
@ -185,10 +182,10 @@ subroutine AL_init
|
|||
'reading values of increment ', restartInc - 1_pInt, ' from file'
|
||||
flush(6)
|
||||
write(rankStr,'(a1,i0)')'_',worldrank
|
||||
call IO_read_realFile(777,'F'//trim(rankStr), trim(getSolverJobName()),size(F))
|
||||
call IO_read_realFile(777,'F'//trim(rankStr),trim(getSolverJobName()),size(F))
|
||||
read (777,rec=1) F
|
||||
close (777)
|
||||
call IO_read_realFile(777,'F_lastInc'//trim(rankStr), trim(getSolverJobName()),size(F_lastInc))
|
||||
call IO_read_realFile(777,'F_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lastInc))
|
||||
read (777,rec=1) F_lastInc
|
||||
close (777)
|
||||
call IO_read_realFile(777,'F_lambda'//trim(rankStr),trim(getSolverJobName()),size(F_lambda))
|
||||
|
|
@ -214,15 +211,14 @@ subroutine AL_init
|
|||
F_lambda_lastInc = F_lastInc
|
||||
endif restart
|
||||
|
||||
|
||||
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
|
||||
call Utilities_constitutiveResponse(F_lastInc, reshape(F,shape(F_lastInc)), &
|
||||
0.0_pReal,P,C_volAvg,C_minMaxAvg,temp33_Real,.false.,math_I3)
|
||||
nullify(F)
|
||||
nullify(F_lambda)
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
||||
|
||||
readRestart: if (restartInc > 1_pInt) then
|
||||
|
||||
restartRead: if (restartInc > 1_pInt) then
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
|
||||
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
||||
'reading more values of increment', restartInc - 1_pInt, 'from file'
|
||||
|
|
@ -236,7 +232,7 @@ subroutine AL_init
|
|||
call IO_read_realFile(777,'C_ref',trim(getSolverJobName()),size(C_minMaxAvg))
|
||||
read (777,rec=1) C_minMaxAvg
|
||||
close (777)
|
||||
endif readRestart
|
||||
endif restartRead
|
||||
|
||||
call Utilities_updateGamma(C_minMaxAvg,.True.)
|
||||
C_scale = C_minMaxAvg
|
||||
|
|
@ -263,7 +259,7 @@ type(tSolutionState) function &
|
|||
use FEsolving, only: &
|
||||
restartWrite, &
|
||||
terminallyIll
|
||||
|
||||
|
||||
implicit none
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -286,6 +282,10 @@ type(tSolutionState) function &
|
|||
PetscErrorCode :: ierr
|
||||
SNESConvergedReason :: reason
|
||||
|
||||
external :: &
|
||||
SNESSolve, &
|
||||
SNESGetConvergedReason
|
||||
|
||||
incInfo = incInfoIn
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -298,7 +298,7 @@ type(tSolutionState) function &
|
|||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! set module wide availabe data
|
||||
! set module wide availabe data
|
||||
mask_stress = P_BC%maskFloat
|
||||
params%P_BC = P_BC%values
|
||||
params%rotation_BC = rotation_BC
|
||||
|
|
@ -387,6 +387,10 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
integer(pInt) :: &
|
||||
i, j, k, e
|
||||
|
||||
external :: &
|
||||
SNESGetNumberFunctionEvals, &
|
||||
SNESGetIterationNumber
|
||||
|
||||
F => x_scal(1:3,1:3,1,&
|
||||
XG_RANGE,YG_RANGE,ZG_RANGE)
|
||||
F_lambda => x_scal(1:3,1:3,2,&
|
||||
|
|
@ -414,7 +418,7 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab) =', &
|
||||
math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', &
|
||||
math_transpose33(F_aim)
|
||||
math_transpose33(F_aim)
|
||||
flush(6)
|
||||
endif
|
||||
endif newIteration
|
||||
|
|
@ -507,7 +511,7 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
|
|||
fnorm
|
||||
SNESConvergedReason :: reason
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode ::ierr
|
||||
PetscErrorCode :: ierr
|
||||
real(pReal) :: &
|
||||
curlTol, &
|
||||
divTol, &
|
||||
|
|
@ -704,6 +708,11 @@ subroutine AL_destroy()
|
|||
implicit none
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
external :: &
|
||||
VecDestroy, &
|
||||
SNESDestroy, &
|
||||
DMDestroy
|
||||
|
||||
call VecDestroy(solution_vec,ierr); CHKERRQ(ierr)
|
||||
call SNESDestroy(snes,ierr); CHKERRQ(ierr)
|
||||
call DMDestroy(da,ierr); CHKERRQ(ierr)
|
||||
|
|
|
|||
|
|
@ -48,7 +48,7 @@ module spectral_mech_basic
|
|||
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
||||
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
||||
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
||||
S = 0.0_pReal !< current compliance (filled up with zeros)
|
||||
S = 0.0_pReal !< current compliance (filled up with zeros)
|
||||
real(pReal), private :: err_stress, err_div
|
||||
logical, private :: ForwardData
|
||||
integer(pInt), private :: &
|
||||
|
|
@ -61,21 +61,7 @@ module spectral_mech_basic
|
|||
BasicPETSc_forward, &
|
||||
basicPETSc_destroy
|
||||
external :: &
|
||||
VecDestroy, &
|
||||
DMDestroy, &
|
||||
DMDACreate3D, &
|
||||
DMCreateGlobalVector, &
|
||||
DMDASNESSetFunctionLocal, &
|
||||
PETScFinalize, &
|
||||
SNESDestroy, &
|
||||
SNESGetNumberFunctionEvals, &
|
||||
SNESGetIterationNumber, &
|
||||
SNESSolve, &
|
||||
SNESSetDM, &
|
||||
SNESGetConvergedReason, &
|
||||
SNESSetConvergenceTest, &
|
||||
SNESSetFromOptions, &
|
||||
SNESCreate, &
|
||||
MPI_Abort, &
|
||||
MPI_Bcast, &
|
||||
MPI_Allreduce
|
||||
|
|
@ -105,7 +91,7 @@ subroutine basicPETSc_init
|
|||
use spectral_utilities, only: &
|
||||
Utilities_constitutiveResponse, &
|
||||
Utilities_updateGamma, &
|
||||
utilities_updateIPcoords, &
|
||||
Utilities_updateIPcoords, &
|
||||
wgt
|
||||
use mesh, only: &
|
||||
grid, &
|
||||
|
|
@ -115,15 +101,28 @@ subroutine basicPETSc_init
|
|||
|
||||
implicit none
|
||||
real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: P
|
||||
PetscScalar, dimension(:,:,:,:), pointer :: F
|
||||
PetscErrorCode :: ierr
|
||||
PetscObject :: dummy
|
||||
real(pReal), dimension(3,3) :: &
|
||||
temp33_Real = 0.0_pReal
|
||||
|
||||
PetscErrorCode :: ierr
|
||||
PetscObject :: dummy
|
||||
PetscScalar, pointer, dimension(:,:,:,:) :: F
|
||||
|
||||
integer(pInt), dimension(:), allocatable :: localK
|
||||
integer(pInt) :: proc
|
||||
character(len=1024) :: rankStr
|
||||
|
||||
|
||||
external :: &
|
||||
SNESCreate, &
|
||||
SNESSetOptionsPrefix, &
|
||||
DMDACreate3D, &
|
||||
SNESSetDM, &
|
||||
DMCreateGlobalVector, &
|
||||
DMDASNESSetFunctionLocal, &
|
||||
SNESGetConvergedReason, &
|
||||
SNESSetConvergenceTest, &
|
||||
SNESSetFromOptions
|
||||
|
||||
mainProcess: if (worldrank == 0_pInt) then
|
||||
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverBasicPETSc init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
|
|
@ -147,9 +146,9 @@ subroutine basicPETSc_init
|
|||
DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary
|
||||
DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point
|
||||
grid(1),grid(2),grid(3), & ! global grid
|
||||
1, 1, worldsize, &
|
||||
1 , 1, worldsize, &
|
||||
9, 0, & ! #dof (F tensor), ghost boundary width (domain overlap)
|
||||
grid (1),grid (2),localK, & ! local grid
|
||||
grid(1),grid(2),localK, & ! local grid
|
||||
da,ierr) ! handle, error
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
|
||||
|
|
@ -195,10 +194,9 @@ subroutine basicPETSc_init
|
|||
temp33_Real, &
|
||||
.false., &
|
||||
math_I3)
|
||||
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
||||
|
||||
restartRead: if (restartInc > 1_pInt) then
|
||||
restartRead: if (restartInc > 1_pInt) then
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
|
||||
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
||||
'reading more values of increment', restartInc - 1_pInt, 'from file'
|
||||
|
|
@ -243,19 +241,24 @@ type(tSolutionState) function &
|
|||
timeinc, & !< increment in time for current solution
|
||||
timeinc_old, & !< increment in time of last increment
|
||||
loadCaseTime !< remaining time of current load case
|
||||
logical, intent(in) :: &
|
||||
guess
|
||||
type(tBoundaryCondition), intent(in) :: &
|
||||
P_BC, &
|
||||
F_BC
|
||||
character(len=*), intent(in) :: &
|
||||
incInfoIn
|
||||
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
||||
logical, intent(in) :: &
|
||||
guess
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! PETSc Data
|
||||
PetscErrorCode :: ierr
|
||||
SNESConvergedReason :: reason
|
||||
|
||||
external :: &
|
||||
SNESSolve, &
|
||||
SNESGetConvergedReason
|
||||
|
||||
incInfo = incInfoIn
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -263,9 +266,9 @@ type(tSolutionState) function &
|
|||
S = Utilities_maskedCompliance(rotation_BC,P_BC%maskLogical,C_volAvg)
|
||||
if (update_gamma) call Utilities_updateGamma(C_minmaxAvg,restartWrite)
|
||||
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! set module wide availabe data
|
||||
! set module wide availabe data
|
||||
mask_stress = P_BC%maskFloat
|
||||
params%P_BC = P_BC%values
|
||||
params%rotation_BC = rotation_BC
|
||||
|
|
@ -292,7 +295,7 @@ end function BasicPETSc_solution
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief forms the AL residual vector
|
||||
!> @brief forms the basic residual vector
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||
use numerics, only: &
|
||||
|
|
@ -312,10 +315,11 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
debug_spectral, &
|
||||
debug_spectralRotation
|
||||
use spectral_utilities, only: &
|
||||
wgt, &
|
||||
tensorField_real, &
|
||||
utilities_FFTtensorForward, &
|
||||
utilities_FFTtensorBackward, &
|
||||
utilities_fourierGammaConvolution, &
|
||||
utilities_FFTtensorBackward, &
|
||||
Utilities_constitutiveResponse, &
|
||||
Utilities_divergenceRMS
|
||||
use IO, only: &
|
||||
|
|
@ -338,11 +342,15 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
PetscObject :: dummy
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
external :: &
|
||||
SNESGetNumberFunctionEvals, &
|
||||
SNESGetIterationNumber
|
||||
|
||||
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
||||
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
||||
|
||||
if(nfuncs== 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
|
||||
newIteration: if (totalIter <= PETScIter) then
|
||||
newIteration: if(totalIter <= PETScIter) then
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! report begin of new iteration
|
||||
totalIter = totalIter + 1_pInt
|
||||
|
|
@ -351,7 +359,7 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab) =', &
|
||||
math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
||||
math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', &
|
||||
math_transpose33(F_aim)
|
||||
flush(6)
|
||||
|
|
@ -401,7 +409,7 @@ subroutine BasicPETSc_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,du
|
|||
worldrank
|
||||
use FEsolving, only: &
|
||||
terminallyIll
|
||||
|
||||
|
||||
implicit none
|
||||
SNES :: snes_local
|
||||
PetscInt :: PETScIter
|
||||
|
|
@ -415,10 +423,10 @@ subroutine BasicPETSc_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,du
|
|||
real(pReal) :: &
|
||||
divTol, &
|
||||
stressTol
|
||||
|
||||
|
||||
divTol = max(maxval(abs(P_av))*err_div_tolRel,err_div_tolAbs)
|
||||
stressTol = max(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs)
|
||||
|
||||
|
||||
converged: if ((totalIter >= itmin .and. &
|
||||
all([ err_div/divTol, &
|
||||
err_stress/stressTol ] < 1.0_pReal)) &
|
||||
|
|
@ -451,21 +459,21 @@ subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,F_BC,P_BC,r
|
|||
use math, only: &
|
||||
math_mul33x33 ,&
|
||||
math_rotate_backward33
|
||||
use numerics, only: &
|
||||
worldrank
|
||||
use mesh, only: &
|
||||
grid, &
|
||||
grid3
|
||||
use spectral_utilities, only: &
|
||||
Utilities_calculateRate, &
|
||||
Utilities_forwardField, &
|
||||
utilities_updateIPcoords, &
|
||||
Utilities_updateIPcoords, &
|
||||
tBoundaryCondition, &
|
||||
cutBack
|
||||
use IO, only: &
|
||||
IO_write_JobRealFile
|
||||
use FEsolving, only: &
|
||||
restartWrite
|
||||
use numerics, only: &
|
||||
worldrank
|
||||
|
||||
implicit none
|
||||
real(pReal), intent(in) :: &
|
||||
|
|
@ -478,8 +486,9 @@ subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,F_BC,P_BC,r
|
|||
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
||||
logical, intent(in) :: &
|
||||
guess
|
||||
PetscErrorCode :: ierr
|
||||
PetscScalar, pointer :: F(:,:,:,:)
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
character(len=1024) :: rankStr
|
||||
|
||||
call DMDAVecGetArrayF90(da,solution_vec,F,ierr)
|
||||
|
|
@ -508,7 +517,7 @@ subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,F_BC,P_BC,r
|
|||
write (777,rec=1) C_volAvgLastInc
|
||||
close(777)
|
||||
endif
|
||||
endif
|
||||
endif
|
||||
|
||||
call utilities_updateIPcoords(F)
|
||||
|
||||
|
|
@ -538,6 +547,7 @@ subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,F_BC,P_BC,r
|
|||
timeinc_old,guess,F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]))
|
||||
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3])
|
||||
endif
|
||||
|
||||
F_aim = F_aim + f_aimDot * timeinc
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -558,6 +568,11 @@ subroutine BasicPETSc_destroy()
|
|||
implicit none
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
external :: &
|
||||
VecDestroy, &
|
||||
SNESDestroy, &
|
||||
DMDestroy
|
||||
|
||||
call VecDestroy(solution_vec,ierr); CHKERRQ(ierr)
|
||||
call SNESDestroy(snes,ierr); CHKERRQ(ierr)
|
||||
call DMDestroy(da,ierr); CHKERRQ(ierr)
|
||||
|
|
|
|||
|
|
@ -22,7 +22,7 @@ module spectral_mech_Polarisation
|
|||
DAMASK_spectral_solverPolarisation_label = 'polarisation'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! derived types
|
||||
! derived types
|
||||
type(tSolutionParams), private :: params
|
||||
real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
|
||||
|
||||
|
|
@ -31,7 +31,7 @@ module spectral_mech_Polarisation
|
|||
DM, private :: da
|
||||
SNES, private :: snes
|
||||
Vec, private :: solution_vec
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! common pointwise data
|
||||
real(pReal), private, dimension(:,:,:,:,:), allocatable :: &
|
||||
|
|
@ -57,7 +57,7 @@ module spectral_mech_Polarisation
|
|||
S = 0.0_pReal, & !< current compliance (filled up with zeros)
|
||||
C_scale = 0.0_pReal, &
|
||||
S_scale = 0.0_pReal
|
||||
|
||||
|
||||
real(pReal), private :: &
|
||||
err_BC, & !< deviation from stress BC
|
||||
err_curl, & !< RMS of curl of F
|
||||
|
|
@ -72,21 +72,7 @@ module spectral_mech_Polarisation
|
|||
Polarisation_forward, &
|
||||
Polarisation_destroy
|
||||
external :: &
|
||||
VecDestroy, &
|
||||
DMDestroy, &
|
||||
DMDACreate3D, &
|
||||
DMCreateGlobalVector, &
|
||||
DMDASNESSetFunctionLocal, &
|
||||
PETScFinalize, &
|
||||
SNESDestroy, &
|
||||
SNESGetNumberFunctionEvals, &
|
||||
SNESGetIterationNumber, &
|
||||
SNESSolve, &
|
||||
SNESSetDM, &
|
||||
SNESGetConvergedReason, &
|
||||
SNESSetConvergenceTest, &
|
||||
SNESSetFromOptions, &
|
||||
SNESCreate, &
|
||||
MPI_Abort, &
|
||||
MPI_Bcast, &
|
||||
MPI_Allreduce
|
||||
|
|
@ -136,11 +122,22 @@ subroutine Polarisation_init
|
|||
integer(pInt) :: proc
|
||||
character(len=1024) :: rankStr
|
||||
|
||||
if (worldrank == 0_pInt) then
|
||||
external :: &
|
||||
SNESCreate, &
|
||||
SNESSetOptionsPrefix, &
|
||||
DMDACreate3D, &
|
||||
SNESSetDM, &
|
||||
DMCreateGlobalVector, &
|
||||
DMDASNESSetFunctionLocal, &
|
||||
SNESGetConvergedReason, &
|
||||
SNESSetConvergenceTest, &
|
||||
SNESSetFromOptions
|
||||
|
||||
mainProcess: if (worldrank == 0_pInt) then
|
||||
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverPolarisation init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
endif
|
||||
endif mainProcess
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate global fields
|
||||
|
|
@ -150,7 +147,7 @@ subroutine Polarisation_init
|
|||
allocate (F_tauDot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! PETSc Init
|
||||
! initialize solver specific parts of PETSc
|
||||
call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
|
||||
call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
|
||||
allocate(localK(worldsize), source = 0); localK(worldrank+1) = grid3
|
||||
|
|
@ -163,7 +160,7 @@ subroutine Polarisation_init
|
|||
grid(1),grid(2),grid(3), & ! global grid
|
||||
1 , 1, worldsize, &
|
||||
18, 0, & ! #dof (F tensor), ghost boundary width (domain overlap)
|
||||
grid (1),grid (2),localK, & ! local grid
|
||||
grid(1),grid(2),localK, & ! local grid
|
||||
da,ierr) ! handle, error
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
|
||||
|
|
@ -182,7 +179,7 @@ subroutine Polarisation_init
|
|||
restart: if (restartInc > 1_pInt) then
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
|
||||
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
||||
'reading values of increment', restartInc - 1_pInt, 'from file'
|
||||
'reading values of increment ', restartInc - 1_pInt, ' from file'
|
||||
flush(6)
|
||||
write(rankStr,'(a1,i0)')'_',worldrank
|
||||
call IO_read_realFile(777,'F'//trim(rankStr),trim(getSolverJobName()),size(F))
|
||||
|
|
@ -221,7 +218,7 @@ subroutine Polarisation_init
|
|||
nullify(F_tau)
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
||||
|
||||
readRestart: if (restartInc > 1_pInt) then
|
||||
restartRead: if (restartInc > 1_pInt) then
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
|
||||
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
||||
'reading more values of increment', restartInc - 1_pInt, 'from file'
|
||||
|
|
@ -235,7 +232,7 @@ subroutine Polarisation_init
|
|||
call IO_read_realFile(777,'C_ref',trim(getSolverJobName()),size(C_minMaxAvg))
|
||||
read (777,rec=1) C_minMaxAvg
|
||||
close (777)
|
||||
endif readRestart
|
||||
endif restartRead
|
||||
|
||||
call Utilities_updateGamma(C_minMaxAvg,.True.)
|
||||
C_scale = C_minMaxAvg
|
||||
|
|
@ -262,7 +259,7 @@ type(tSolutionState) function &
|
|||
use FEsolving, only: &
|
||||
restartWrite, &
|
||||
terminallyIll
|
||||
|
||||
|
||||
implicit none
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -285,6 +282,10 @@ type(tSolutionState) function &
|
|||
PetscErrorCode :: ierr
|
||||
SNESConvergedReason :: reason
|
||||
|
||||
external :: &
|
||||
SNESSolve, &
|
||||
SNESGetConvergedReason
|
||||
|
||||
incInfo = incInfoIn
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -385,7 +386,11 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
PetscErrorCode :: ierr
|
||||
integer(pInt) :: &
|
||||
i, j, k, e
|
||||
|
||||
|
||||
external :: &
|
||||
SNESGetNumberFunctionEvals, &
|
||||
SNESGetIterationNumber
|
||||
|
||||
F => x_scal(1:3,1:3,1,&
|
||||
XG_RANGE,YG_RANGE,ZG_RANGE)
|
||||
F_tau => x_scal(1:3,1:3,2,&
|
||||
|
|
@ -505,7 +510,7 @@ subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,
|
|||
fnorm
|
||||
SNESConvergedReason :: reason
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode ::ierr
|
||||
PetscErrorCode :: ierr
|
||||
real(pReal) :: &
|
||||
curlTol, &
|
||||
divTol, &
|
||||
|
|
@ -631,7 +636,8 @@ subroutine Polarisation_forward(guess,timeinc,timeinc_old,loadCaseTime,F_BC,P_BC
|
|||
write (777,rec=1) C_volAvgLastInc
|
||||
close(777)
|
||||
endif
|
||||
endif
|
||||
endif
|
||||
|
||||
call utilities_updateIPcoords(F)
|
||||
|
||||
if (cutBack) then
|
||||
|
|
@ -701,6 +707,11 @@ subroutine Polarisation_destroy()
|
|||
implicit none
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
external :: &
|
||||
VecDestroy, &
|
||||
SNESDestroy, &
|
||||
DMDestroy
|
||||
|
||||
call VecDestroy(solution_vec,ierr); CHKERRQ(ierr)
|
||||
call SNESDestroy(snes,ierr); CHKERRQ(ierr)
|
||||
call DMDestroy(da,ierr); CHKERRQ(ierr)
|
||||
|
|
|
|||
|
|
@ -42,7 +42,6 @@ module spectral_thermal
|
|||
integer(pInt), private :: totalIter = 0_pInt !< total iteration in current increment
|
||||
real(pReal), dimension(3,3), private :: D_ref
|
||||
real(pReal), private :: mobility_ref
|
||||
character(len=1024), private :: incInfo
|
||||
|
||||
public :: &
|
||||
spectral_thermal_init, &
|
||||
|
|
@ -50,21 +49,7 @@ module spectral_thermal
|
|||
spectral_thermal_forward, &
|
||||
spectral_thermal_destroy
|
||||
external :: &
|
||||
VecDestroy, &
|
||||
DMDestroy, &
|
||||
DMDACreate3D, &
|
||||
DMCreateGlobalVector, &
|
||||
DMDASNESSetFunctionLocal, &
|
||||
PETScFinalize, &
|
||||
SNESDestroy, &
|
||||
SNESGetNumberFunctionEvals, &
|
||||
SNESGetIterationNumber, &
|
||||
SNESSolve, &
|
||||
SNESSetDM, &
|
||||
SNESGetConvergedReason, &
|
||||
SNESSetConvergenceTest, &
|
||||
SNESSetFromOptions, &
|
||||
SNESCreate, &
|
||||
MPI_Abort, &
|
||||
MPI_Bcast, &
|
||||
MPI_Allreduce
|
||||
|
|
@ -99,10 +84,20 @@ subroutine spectral_thermal_init
|
|||
integer(pInt) :: proc
|
||||
integer(pInt) :: i, j, k, cell
|
||||
DM :: thermal_grid
|
||||
PetscScalar, pointer :: x_scal(:,:,:)
|
||||
PetscScalar, dimension(:,:,:), pointer :: x_scal
|
||||
PetscErrorCode :: ierr
|
||||
PetscObject :: dummy
|
||||
|
||||
external :: &
|
||||
SNESCreate, &
|
||||
SNESSetOptionsPrefix, &
|
||||
DMDACreate3D, &
|
||||
SNESSetDM, &
|
||||
DMDAGetCorners, &
|
||||
DMCreateGlobalVector, &
|
||||
DMDASNESSetFunctionLocal, &
|
||||
SNESSetFromOptions
|
||||
|
||||
mainProcess: if (worldrank == 0_pInt) then
|
||||
write(6,'(/,a)') ' <<<+- spectral_thermal init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
|
|
@ -154,6 +149,8 @@ subroutine spectral_thermal_init
|
|||
x_scal(xstart:xend,ystart:yend,zstart:zend) = temperature_current
|
||||
call DMDAVecRestoreArrayF90(thermal_grid,solution,x_scal,ierr); CHKERRQ(ierr)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! thermal reference diffusion update
|
||||
cell = 0_pInt
|
||||
D_ref = 0.0_pReal
|
||||
mobility_ref = 0.0_pReal
|
||||
|
|
@ -171,7 +168,7 @@ subroutine spectral_thermal_init
|
|||
end subroutine spectral_thermal_init
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief solution for the Basic PETSC scheme with internal iterations
|
||||
!> @brief solution for the spectral thermal scheme with internal iterations
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
type(tSolutionState) function spectral_thermal_solution(guess,timeinc,timeinc_old,loadCaseTime)
|
||||
use numerics, only: &
|
||||
|
|
@ -196,12 +193,18 @@ type(tSolutionState) function spectral_thermal_solution(guess,timeinc,timeinc_ol
|
|||
integer(pInt) :: i, j, k, cell
|
||||
PetscInt :: position
|
||||
PetscReal :: minTemperature, maxTemperature, stagNorm, solnNorm
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! PETSc Data
|
||||
PetscErrorCode :: ierr
|
||||
SNESConvergedReason :: reason
|
||||
|
||||
|
||||
external :: &
|
||||
VecMin, &
|
||||
VecMax, &
|
||||
SNESSolve, &
|
||||
SNESGetConvergedReason
|
||||
|
||||
spectral_thermal_solution%converged =.false.
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -355,8 +358,11 @@ subroutine spectral_thermal_forward(guess,timeinc,timeinc_old,loadCaseTime)
|
|||
logical, intent(in) :: guess
|
||||
integer(pInt) :: i, j, k, cell
|
||||
DM :: dm_local
|
||||
PetscScalar, pointer :: x_scal(:,:,:)
|
||||
PetscScalar, dimension(:,:,:), pointer :: x_scal
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
external :: &
|
||||
SNESGetDM
|
||||
|
||||
if (cutBack) then
|
||||
temperature_current = temperature_lastInc
|
||||
|
|
@ -405,6 +411,10 @@ subroutine spectral_thermal_destroy()
|
|||
implicit none
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
external :: &
|
||||
VecDestroy, &
|
||||
SNESDestroy
|
||||
|
||||
call VecDestroy(solution,ierr); CHKERRQ(ierr)
|
||||
call SNESDestroy(thermal_snes,ierr); CHKERRQ(ierr)
|
||||
|
||||
|
|
|
|||
|
|
@ -422,7 +422,7 @@ subroutine utilities_updateGamma(C,saveReference)
|
|||
forall(l = 1_pInt:3_pInt, m = 1_pInt:3_pInt) &
|
||||
xiDyad_cmplx(l,m) = conjg(-xi1st(l,i,j,k-grid3Offset))*xi1st(m,i,j,k-grid3Offset)
|
||||
forall(l = 1_pInt:3_pInt, m = 1_pInt:3_pInt) &
|
||||
temp33_complex(l,m) = sum(C_ref(l,1:3,m,1:3)*xiDyad_cmplx)
|
||||
temp33_complex(l,m) = sum(cmplx(C_ref(l,1:3,m,1:3),0.0_pReal)*xiDyad_cmplx)
|
||||
matA(1:3,1:3) = real(temp33_complex); matA(4:6,4:6) = real(temp33_complex)
|
||||
matA(1:3,4:6) = aimag(temp33_complex); matA(4:6,1:3) = -aimag(temp33_complex)
|
||||
if (abs(math_det33(matA(1:3,1:3))) > 1e-16) then
|
||||
|
|
@ -558,7 +558,7 @@ subroutine utilities_fourierGammaConvolution(fieldAim)
|
|||
forall(l = 1_pInt:3_pInt, m = 1_pInt:3_pInt) &
|
||||
xiDyad_cmplx(l,m) = conjg(-xi1st(l,i,j,k))*xi1st(m,i,j,k)
|
||||
forall(l = 1_pInt:3_pInt, m = 1_pInt:3_pInt) &
|
||||
temp33_complex(l,m) = sum(C_ref(l,1:3,m,1:3)*xiDyad_cmplx)
|
||||
temp33_complex(l,m) = sum(cmplx(C_ref(l,1:3,m,1:3),0.0_pReal)*xiDyad_cmplx)
|
||||
matA(1:3,1:3) = real(temp33_complex); matA(4:6,4:6) = real(temp33_complex)
|
||||
matA(1:3,4:6) = aimag(temp33_complex); matA(4:6,1:3) = -aimag(temp33_complex)
|
||||
if (abs(math_det33(matA(1:3,1:3))) > 1e-16) then
|
||||
|
|
@ -610,8 +610,8 @@ subroutine utilities_fourierGreenConvolution(D_ref, mobility_ref, deltaT)
|
|||
! do the actual spectral method calculation
|
||||
do k = 1_pInt, grid3; do j = 1_pInt, grid(2) ;do i = 1_pInt, grid1Red
|
||||
GreenOp_hat = cmplx(1.0_pReal,0.0_pReal,pReal)/ &
|
||||
(cmplx(mobility_ref,0.0_pReal,pReal) + &
|
||||
deltaT*sum(conjg(xi1st(1:3,i,j,k))*matmul(D_ref,xi1st(1:3,i,j,k)))) ! why not use dot_product
|
||||
(cmplx(mobility_ref,0.0_pReal,pReal) + cmplx(deltaT,0.0_pReal)*&
|
||||
sum(conjg(xi1st(1:3,i,j,k))* matmul(cmplx(D_ref,0.0_pReal),xi1st(1:3,i,j,k)))) ! why not use dot_product
|
||||
scalarField_fourier(i,j,k) = scalarField_fourier(i,j,k)*GreenOp_hat
|
||||
enddo; enddo; enddo
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue