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DAMASK_EICMD
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reverting files that got mistakenly added into previous change set

This commit is contained in:
Pratheek Shanthraj 2015-06-01 16:11:37 +00:00
parent a14070bad4
commit 3415e249ef
2 changed files with 86 additions and 53 deletions
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70
code/DAMASK_spectral_solverAL.f90
View File

@ -13,8 +13,7 @@ module DAMASK_spectral_solverAL
use math, only: & use math, only: &
math_I3 math_I3
use DAMASK_spectral_utilities, only: & use DAMASK_spectral_utilities, only: &
tSolutionState, & tSolutionState
tSolutionParams
implicit none implicit none
private private
@ -25,6 +24,14 @@ module DAMASK_spectral_solverAL
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! derived types ! derived types
type tSolutionParams !< @todo use here the type definition for a full loadcase including mask
real(pReal), dimension(3,3) :: P_BC, rotation_BC
real(pReal) :: timeinc
real(pReal) :: timeincOld
real(pReal) :: temperature
real(pReal) :: density
end type tSolutionParams
type(tSolutionParams), private :: params type(tSolutionParams), private :: params
real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
@ -89,7 +96,9 @@ module DAMASK_spectral_solverAL
SNESSetConvergenceTest, & SNESSetConvergenceTest, &
SNESSetFromOptions, & SNESSetFromOptions, &
SNESCreate, & SNESCreate, &
MPI_Abort MPI_Abort, &
MPI_Bcast, &
MPI_Allreduce
contains contains
@ -115,9 +124,12 @@ subroutine AL_init(temperature)
use DAMASK_interface, only: & use DAMASK_interface, only: &
getSolverJobName getSolverJobName
use DAMASK_spectral_Utilities, only: & use DAMASK_spectral_Utilities, only: &
Utilities_init, &
Utilities_constitutiveResponse, & Utilities_constitutiveResponse, &
Utilities_updateGamma, & Utilities_updateGamma, &
Utilities_updateIPcoords Utilities_updateIPcoords, &
grid1Red, &
wgt
use mesh, only: & use mesh, only: &
gridLocal, & gridLocal, &
gridGlobal gridGlobal
@ -138,6 +150,7 @@ subroutine AL_init(temperature)
integer(pInt) :: proc integer(pInt) :: proc
character(len=1024) :: rankStr character(len=1024) :: rankStr
call Utilities_init()
if (worldrank == 0_pInt) then if (worldrank == 0_pInt) then
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverAL init -+>>>' write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverAL init -+>>>'
write(6,'(a)') ' $Id$' write(6,'(a)') ' $Id$'
@ -156,7 +169,6 @@ subroutine AL_init(temperature)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! PETSc Init ! PETSc Init
call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr) call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
allocate(localK(worldsize), source = 0); localK(worldrank+1) = gridLocal(3) allocate(localK(worldsize), source = 0); localK(worldrank+1) = gridLocal(3)
do proc = 1, worldsize do proc = 1, worldsize
call MPI_Bcast(localK(proc),1,MPI_INTEGER,proc-1,PETSC_COMM_WORLD,ierr) call MPI_Bcast(localK(proc),1,MPI_INTEGER,proc-1,PETSC_COMM_WORLD,ierr)
@ -170,7 +182,6 @@ subroutine AL_init(temperature)
gridLocal (1),gridLocal (2),localK, & ! local grid gridLocal (1),gridLocal (2),localK, & ! local grid
da,ierr) ! handle, error da,ierr) ! handle, error
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr)
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,AL_formResidual,dummy,ierr) call DMDASNESSetFunctionLocal(da,INSERT_VALUES,AL_formResidual,dummy,ierr)
CHKERRQ(ierr) CHKERRQ(ierr)
@ -255,7 +266,7 @@ end subroutine AL_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
type(tSolutionState) function & type(tSolutionState) function &
AL_solution(incInfoIn,guess,timeinc,timeinc_old,loadCaseTime,P_BC,F_BC,temperature_bc, & AL_solution(incInfoIn,guess,timeinc,timeinc_old,loadCaseTime,P_BC,F_BC,temperature_bc, &
rotation_BC) rotation_BC,density)
use numerics, only: & use numerics, only: &
update_gamma update_gamma
use math, only: & use math, only: &
@ -276,7 +287,8 @@ type(tSolutionState) function &
timeinc, & !< increment in time for current solution timeinc, & !< increment in time for current solution
timeinc_old, & !< increment in time of last increment timeinc_old, & !< increment in time of last increment
loadCaseTime, & !< remaining time of current load case loadCaseTime, & !< remaining time of current load case
temperature_bc temperature_bc, &
density
logical, intent(in) :: & logical, intent(in) :: &
guess guess
type(tBoundaryCondition), intent(in) :: & type(tBoundaryCondition), intent(in) :: &
@ -312,6 +324,7 @@ type(tSolutionState) function &
params%timeinc = timeinc params%timeinc = timeinc
params%timeincOld = timeinc_old params%timeincOld = timeinc_old
params%temperature = temperature_bc params%temperature = temperature_bc
params%density = density
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! solve BVP ! solve BVP
@ -350,14 +363,16 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
math_transpose33, & math_transpose33, &
math_mul3333xx33, & math_mul3333xx33, &
math_invSym3333, & math_invSym3333, &
math_mul33x33 math_mul33x33, &
PI
use DAMASK_spectral_Utilities, only: & use DAMASK_spectral_Utilities, only: &
wgt, & wgt, &
tensorField_realMPI, & field_realMPI, &
utilities_FFTtensorForward, & field_fourierMPI, &
utilities_fourierGammaConvolution, & Utilities_FFTforward, &
Utilities_fourierConvolution, &
Utilities_inverseLaplace, & Utilities_inverseLaplace, &
utilities_FFTtensorBackward, & Utilities_FFTbackward, &
Utilities_constitutiveResponse, & Utilities_constitutiveResponse, &
Utilities_divergenceRMS, & Utilities_divergenceRMS, &
Utilities_curlRMS Utilities_curlRMS
@ -429,9 +444,9 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! !
tensorField_realMPI = 0.0_pReal field_realMPI = 0.0_pReal
do k = 1_pInt, gridLocal(3); do j = 1_pInt, gridLocal(2); do i = 1_pInt, gridLocal(1) do k = 1_pInt, gridLocal(3); do j = 1_pInt, gridLocal(2); do i = 1_pInt, gridLocal(1)
tensorField_realMPI(1:3,1:3,i,j,k) = & field_realMPI(1:3,1:3,i,j,k) = &
polarBeta*math_mul3333xx33(C_scale,F(1:3,1:3,i,j,k) - math_I3) -& polarBeta*math_mul3333xx33(C_scale,F(1:3,1:3,i,j,k) - math_I3) -&
polarAlpha*math_mul33x33(F(1:3,1:3,i,j,k), & polarAlpha*math_mul33x33(F(1:3,1:3,i,j,k), &
math_mul3333xx33(C_scale,F_lambda(1:3,1:3,i,j,k) - math_I3)) math_mul3333xx33(C_scale,F_lambda(1:3,1:3,i,j,k) - math_I3))
@ -440,13 +455,13 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! doing convolution in Fourier space ! doing convolution in Fourier space
call utilities_FFTtensorForward() call Utilities_FFTforward()
call utilities_fourierGammaConvolution(math_rotate_backward33(polarBeta*F_aim,params%rotation_BC)) call Utilities_fourierConvolution(math_rotate_backward33(polarBeta*F_aim,params%rotation_BC))
call utilities_FFTtensorBackward() call Utilities_FFTbackward()
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! constructing residual ! constructing residual
residual_F_lambda = polarBeta*F - tensorField_realMPI(1:3,1:3,1:gridLocal(1),1:gridLocal(2),1:gridLocal(3)) residual_F_lambda = polarBeta*F - field_realMPI(1:3,1:3,1:gridLocal(1),1:gridLocal(2),1:gridLocal(3))
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! evaluate constitutive response ! evaluate constitutive response
@ -458,11 +473,11 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculate divergence ! calculate divergence
tensorField_realMPI = 0.0_pReal field_realMPI = 0.0_pReal
tensorField_realMPI(1:3,1:3,1:gridLocal(1),1:gridLocal(2),1:gridLocal(3)) = residual_F field_realMPI(1:3,1:3,1:gridLocal(1),1:gridLocal(2),1:gridLocal(3)) = residual_F
call utilities_FFTtensorForward() call Utilities_FFTforward()
err_div = Utilities_divergenceRMS() err_div = Utilities_divergenceRMS()
call utilities_FFTtensorBackward() call Utilities_FFTbackward()
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! constructing residual ! constructing residual
@ -478,11 +493,11 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculating curl ! calculating curl
tensorField_realMPI = 0.0_pReal field_realMPI = 0.0_pReal
tensorField_realMPI(1:3,1:3,1:gridLocal(1),1:gridLocal(2),1:gridLocal(3)) = F field_realMPI(1:3,1:3,1:gridLocal(1),1:gridLocal(2),1:gridLocal(3)) = F
call utilities_FFTtensorForward() call Utilities_FFTforward()
err_curl = Utilities_curlRMS() err_curl = Utilities_curlRMS()
call utilities_FFTtensorBackward() call Utilities_FFTbackward()
end subroutine AL_formResidual end subroutine AL_formResidual
@ -712,6 +727,7 @@ subroutine AL_destroy()
call VecDestroy(solution_vec,ierr); CHKERRQ(ierr) call VecDestroy(solution_vec,ierr); CHKERRQ(ierr)
call SNESDestroy(snes,ierr); CHKERRQ(ierr) call SNESDestroy(snes,ierr); CHKERRQ(ierr)
call DMDestroy(da,ierr); CHKERRQ(ierr) call DMDestroy(da,ierr); CHKERRQ(ierr)
call Utilities_destroy()
end subroutine AL_destroy end subroutine AL_destroy

69
code/DAMASK_spectral_solverPolarisation.f90
View File

@ -13,8 +13,7 @@ module DAMASK_spectral_solverPolarisation
use math, only: & use math, only: &
math_I3 math_I3
use DAMASK_spectral_utilities, only: & use DAMASK_spectral_utilities, only: &
tSolutionState, & tSolutionState
tSolutionParams
implicit none implicit none
private private
@ -25,6 +24,14 @@ module DAMASK_spectral_solverPolarisation
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! derived types ! derived types
type tSolutionParams !< @todo use here the type definition for a full loadcase including mask
real(pReal), dimension(3,3) :: P_BC, rotation_BC
real(pReal) :: timeinc
real(pReal) :: timeincOld
real(pReal) :: temperature
real(pReal) :: density
end type tSolutionParams
type(tSolutionParams), private :: params type(tSolutionParams), private :: params
real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
@ -117,9 +124,12 @@ subroutine Polarisation_init(temperature)
use DAMASK_interface, only: & use DAMASK_interface, only: &
getSolverJobName getSolverJobName
use DAMASK_spectral_Utilities, only: & use DAMASK_spectral_Utilities, only: &
Utilities_init, &
Utilities_constitutiveResponse, & Utilities_constitutiveResponse, &
Utilities_updateGamma, & Utilities_updateGamma, &
Utilities_updateIPcoords Utilities_updateIPcoords, &
grid1Red, &
wgt
use mesh, only: & use mesh, only: &
gridLocal, & gridLocal, &
gridGlobal gridGlobal
@ -140,6 +150,7 @@ subroutine Polarisation_init(temperature)
integer(pInt) :: proc integer(pInt) :: proc
character(len=1024) :: rankStr character(len=1024) :: rankStr
call Utilities_init()
if (worldrank == 0_pInt) then if (worldrank == 0_pInt) then
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverPolarisation init -+>>>' write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverPolarisation init -+>>>'
write(6,'(a)') ' $Id$' write(6,'(a)') ' $Id$'
@ -158,7 +169,6 @@ subroutine Polarisation_init(temperature)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! PETSc Init ! PETSc Init
call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr) call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
allocate(localK(worldsize), source = 0); localK(worldrank+1) = gridLocal(3) allocate(localK(worldsize), source = 0); localK(worldrank+1) = gridLocal(3)
do proc = 1, worldsize do proc = 1, worldsize
call MPI_Bcast(localK(proc),1,MPI_INTEGER,proc-1,PETSC_COMM_WORLD,ierr) call MPI_Bcast(localK(proc),1,MPI_INTEGER,proc-1,PETSC_COMM_WORLD,ierr)
@ -172,10 +182,10 @@ subroutine Polarisation_init(temperature)
gridLocal (1),gridLocal (2),localK, & ! local grid gridLocal (1),gridLocal (2),localK, & ! local grid
da,ierr) ! handle, error da,ierr) ! handle, error
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr)
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,Polarisation_formResidual,dummy,ierr) call DMDASNESSetFunctionLocal(da,INSERT_VALUES,Polarisation_formResidual,dummy,ierr)
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
call SNESSetConvergenceTest(snes,Polarisation_converged,dummy,PETSC_NULL_FUNCTION,ierr) call SNESSetConvergenceTest(snes,Polarisation_converged,dummy,PETSC_NULL_FUNCTION,ierr)
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr) call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr)
@ -255,7 +265,7 @@ end subroutine Polarisation_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
type(tSolutionState) function & type(tSolutionState) function &
Polarisation_solution(incInfoIn,guess,timeinc,timeinc_old,loadCaseTime,P_BC,F_BC,temperature_bc, & Polarisation_solution(incInfoIn,guess,timeinc,timeinc_old,loadCaseTime,P_BC,F_BC,temperature_bc, &
rotation_BC) rotation_BC,density)
use numerics, only: & use numerics, only: &
update_gamma update_gamma
use math, only: & use math, only: &
@ -267,6 +277,8 @@ type(tSolutionState) function &
use FEsolving, only: & use FEsolving, only: &
restartWrite, & restartWrite, &
terminallyIll terminallyIll
use numerics, only: &
worldrank
implicit none implicit none
@ -276,7 +288,8 @@ type(tSolutionState) function &
timeinc, & !< increment in time for current solution timeinc, & !< increment in time for current solution
timeinc_old, & !< increment in time of last increment timeinc_old, & !< increment in time of last increment
loadCaseTime, & !< remaining time of current load case loadCaseTime, & !< remaining time of current load case
temperature_bc temperature_bc, &
density
logical, intent(in) :: & logical, intent(in) :: &
guess guess
type(tBoundaryCondition), intent(in) :: & type(tBoundaryCondition), intent(in) :: &
@ -311,6 +324,7 @@ type(tSolutionState) function &
params%timeinc = timeinc params%timeinc = timeinc
params%timeincOld = timeinc_old params%timeincOld = timeinc_old
params%temperature = temperature_bc params%temperature = temperature_bc
params%density = density
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! solve BVP ! solve BVP
@ -349,14 +363,16 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
math_transpose33, & math_transpose33, &
math_mul3333xx33, & math_mul3333xx33, &
math_invSym3333, & math_invSym3333, &
math_mul33x33 math_mul33x33, &
PI
use DAMASK_spectral_Utilities, only: & use DAMASK_spectral_Utilities, only: &
wgt, & wgt, &
tensorField_realMPI, & field_realMPI, &
utilities_FFTtensorForward, & field_fourierMPI, &
utilities_fourierGammaConvolution, & Utilities_FFTforward, &
Utilities_fourierConvolution, &
Utilities_inverseLaplace, & Utilities_inverseLaplace, &
utilities_FFTtensorBackward, & Utilities_FFTbackward, &
Utilities_constitutiveResponse, & Utilities_constitutiveResponse, &
Utilities_divergenceRMS, & Utilities_divergenceRMS, &
Utilities_curlRMS Utilities_curlRMS
@ -428,9 +444,9 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! !
tensorField_realMPI = 0.0_pReal field_realMPI = 0.0_pReal
do k = 1_pInt, gridLocal(3); do j = 1_pInt, gridLocal(2); do i = 1_pInt, gridLocal(1) do k = 1_pInt, gridLocal(3); do j = 1_pInt, gridLocal(2); do i = 1_pInt, gridLocal(1)
tensorField_realMPI(1:3,1:3,i,j,k) = & field_realMPI(1:3,1:3,i,j,k) = &
polarBeta*math_mul3333xx33(C_scale,F(1:3,1:3,i,j,k) - math_I3) -& polarBeta*math_mul3333xx33(C_scale,F(1:3,1:3,i,j,k) - math_I3) -&
polarAlpha*math_mul33x33(F(1:3,1:3,i,j,k), & polarAlpha*math_mul33x33(F(1:3,1:3,i,j,k), &
math_mul3333xx33(C_scale,F_tau(1:3,1:3,i,j,k) - F(1:3,1:3,i,j,k) - math_I3)) math_mul3333xx33(C_scale,F_tau(1:3,1:3,i,j,k) - F(1:3,1:3,i,j,k) - math_I3))
@ -438,13 +454,13 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! doing convolution in Fourier space ! doing convolution in Fourier space
call utilities_FFTtensorForward() call Utilities_FFTforward()
call utilities_fourierGammaConvolution(math_rotate_backward33(polarBeta*F_aim,params%rotation_BC)) call Utilities_fourierConvolution(math_rotate_backward33(polarBeta*F_aim,params%rotation_BC))
call utilities_FFTtensorBackward() call Utilities_FFTbackward()
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! constructing residual ! constructing residual
residual_F_tau = polarBeta*F - tensorField_realMPI(1:3,1:3,1:gridLocal(1),1:gridLocal(2),1:gridLocal(3)) residual_F_tau = polarBeta*F - field_realMPI(1:3,1:3,1:gridLocal(1),1:gridLocal(2),1:gridLocal(3))
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! evaluate constitutive response ! evaluate constitutive response
@ -456,11 +472,11 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculate divergence ! calculate divergence
tensorField_realMPI = 0.0_pReal field_realMPI = 0.0_pReal
tensorField_realMPI(1:3,1:3,1:gridLocal(1),1:gridLocal(2),1:gridLocal(3)) = residual_F field_realMPI(1:3,1:3,1:gridLocal(1),1:gridLocal(2),1:gridLocal(3)) = residual_F
call utilities_FFTtensorForward() call Utilities_FFTforward()
err_div = Utilities_divergenceRMS() err_div = Utilities_divergenceRMS()
call utilities_FFTtensorBackward() call Utilities_FFTbackward()
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! constructing residual ! constructing residual
@ -476,11 +492,11 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculating curl ! calculating curl
tensorField_realMPI = 0.0_pReal field_realMPI = 0.0_pReal
tensorField_realMPI(1:3,1:3,1:gridLocal(1),1:gridLocal(2),1:gridLocal(3)) = F field_realMPI(1:3,1:3,1:gridLocal(1),1:gridLocal(2),1:gridLocal(3)) = F
call utilities_FFTtensorForward() call Utilities_FFTforward()
err_curl = Utilities_curlRMS() err_curl = Utilities_curlRMS()
call utilities_FFTtensorBackward() call Utilities_FFTbackward()
end subroutine Polarisation_formResidual end subroutine Polarisation_formResidual
@ -711,6 +727,7 @@ subroutine Polarisation_destroy()
call VecDestroy(solution_vec,ierr); CHKERRQ(ierr) call VecDestroy(solution_vec,ierr); CHKERRQ(ierr)
call SNESDestroy(snes,ierr); CHKERRQ(ierr) call SNESDestroy(snes,ierr); CHKERRQ(ierr)
call DMDestroy(da,ierr); CHKERRQ(ierr) call DMDestroy(da,ierr); CHKERRQ(ierr)
call Utilities_destroy()
end subroutine Polarisation_destroy end subroutine Polarisation_destroy