diff --git a/code/DAMASK_spectral_driver.f90 b/code/DAMASK_spectral_driver.f90
index 7c5b5faf7..effb68315 100644
--- a/code/DAMASK_spectral_driver.f90
+++ b/code/DAMASK_spectral_driver.f90
@@ -82,6 +82,7 @@ program DAMASK_spectral_Driver
#ifdef PETSc
use DAMASK_spectral_SolverBasicPETSC
use DAMASK_spectral_SolverAL
+ use DAMASK_spectral_SolverPolarisation
#endif
implicit none
@@ -337,6 +338,10 @@ program DAMASK_spectral_Driver
if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) &
call IO_warning(42_pInt, ext_msg='debug Divergence')
call AL_init(loadCases(1)%temperature)
+ case (DAMASK_spectral_SolverPolarisation_label)
+ if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) &
+ call IO_warning(42_pInt, ext_msg='debug Divergence')
+ call Polarisation_init(loadCases(1)%temperature)
#endif
case default
call IO_error(error_ID = 891, ext_msg = trim(myspectralsolver))
@@ -459,7 +464,6 @@ program DAMASK_spectral_Driver
F_BC = loadCases(currentLoadCase)%deformation, &
temperature_bc = loadCases(currentLoadCase)%temperature, &
rotation_BC = loadCases(currentLoadCase)%rotation)
-
case (DAMASK_spectral_SolverAL_label)
solres = AL_solution (&
incInfo,guess,timeinc,timeIncOld,remainingLoadCaseTime, &
@@ -467,6 +471,13 @@ program DAMASK_spectral_Driver
F_BC = loadCases(currentLoadCase)%deformation, &
temperature_bc = loadCases(currentLoadCase)%temperature, &
rotation_BC = loadCases(currentLoadCase)%rotation)
+ case (DAMASK_spectral_SolverPolarisation_label)
+ solres = Polarisation_solution (&
+ incInfo,guess,timeinc,timeIncOld,remainingLoadCaseTime, &
+ P_BC = loadCases(currentLoadCase)%P, &
+ F_BC = loadCases(currentLoadCase)%deformation, &
+ temperature_bc = loadCases(currentLoadCase)%temperature, &
+ rotation_BC = loadCases(currentLoadCase)%rotation)
#endif
end select
@@ -525,15 +536,15 @@ program DAMASK_spectral_Driver
enddo loadCaseLooping
select case (myspectralsolver)
-
case (DAMASK_spectral_SolverBasic_label)
call basic_destroy()
#ifdef PETSc
case (DAMASK_spectral_SolverBasicPETSC_label)
call BasicPETSC_destroy()
-
case (DAMASK_spectral_SolverAL_label)
call AL_destroy()
+ case (DAMASK_spectral_SolverPolarisation_label)
+ call Polarisation_destroy()
#endif
end select
diff --git a/code/DAMASK_spectral_solverAL.f90 b/code/DAMASK_spectral_solverAL.f90
old mode 100644
new mode 100755
index 68ea8199a..0a6497f20
--- a/code/DAMASK_spectral_solverAL.f90
+++ b/code/DAMASK_spectral_solverAL.f90
@@ -17,7 +17,7 @@
! along with DAMASK. If not, see .
!
!--------------------------------------------------------------------------------------------------
-! $Id$
+! $Id: DAMASK_spectral_solverAL.f90 2487 2013-06-14 09:49:33Z MPIE\f.roters $
!--------------------------------------------------------------------------------------------------
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
@@ -40,7 +40,7 @@ module DAMASK_spectral_solverAL
#include
character (len=*), parameter, public :: &
- DAMASK_spectral_SolverAL_label = 'al'
+ DAMASK_spectral_solverAL_label = 'al'
!--------------------------------------------------------------------------------------------------
! derived types
@@ -63,9 +63,9 @@ module DAMASK_spectral_solverAL
! common pointwise data
real(pReal), private, dimension(:,:,:,:,:), allocatable :: &
F_lastInc, & !< field of previous compatible deformation gradients
- F_tau_lastInc, & !< field of previous incompatible deformation gradient
+ F_lambda_lastInc, & !< field of previous incompatible deformation gradient
Fdot, & !< field of assumed rate of compatible deformation gradient
- F_tauDot !< field of assumed rate of incopatible deformation gradient
+ F_lambdaDot !< field of assumed rate of incopatible deformation gradient
!--------------------------------------------------------------------------------------------------
! stress, stiffness and compliance average etc.
@@ -162,11 +162,11 @@ subroutine AL_init(temperature)
PetscErrorCode :: ierr
PetscObject :: dummy
- PetscScalar, pointer, dimension(:,:,:,:) :: xx_psc, F, F_tau
+ PetscScalar, pointer, dimension(:,:,:,:) :: xx_psc, F, F_lambda
call Utilities_init()
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverAL init -+>>>'
- write(6,'(a)') ' $Id$'
+ write(6,'(a)') ' $Id: DAMASK_spectral_solverAL.f90 2487 2013-06-14 09:49:33Z MPIE\f.roters $'
write(6,'(a16,a)') ' Current time : ',IO_timeStamp()
#include "compilation_info.f90"
@@ -175,8 +175,8 @@ subroutine AL_init(temperature)
! allocate global fields
allocate (F_lastInc (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
allocate (Fdot (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
- allocate (F_tau_lastInc(3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
- allocate (F_tauDot (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
+ allocate (F_lambda_lastInc(3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
+ allocate (F_lambdaDot (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
!--------------------------------------------------------------------------------------------------
! PETSc Init
@@ -197,12 +197,12 @@ subroutine AL_init(temperature)
! init fields
call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! places pointer xx_psc on PETSc data
F => xx_psc(0:8,:,:,:)
- F_tau => xx_psc(9:17,:,:,:)
+ F_lambda => xx_psc(9:17,:,:,:)
if (restartInc == 1_pInt) then ! no deformation (no restart)
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid(3)) ! initialize to identity
- F_tau_lastInc = F_lastInc
+ F_lambda_lastInc = F_lastInc
F = reshape(F_lastInc,[9,grid(1),grid(2),grid(3)])
- F_tau = F
+ F_lambda = F
elseif (restartInc > 1_pInt) then
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0) &
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
@@ -218,13 +218,13 @@ subroutine AL_init(temperature)
close (777)
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
- call IO_read_jobBinaryFile(777,'F_tau',&
- trim(getSolverJobName()),size(F_tau))
- read (777,rec=1) F_tau
+ call IO_read_jobBinaryFile(777,'F_lambda',&
+ trim(getSolverJobName()),size(F_lambda))
+ read (777,rec=1) F_lambda
close (777)
- call IO_read_jobBinaryFile(777,'F_tau_lastInc',&
- trim(getSolverJobName()),size(F_tau_lastInc))
- read (777,rec=1) F_tau_lastInc
+ call IO_read_jobBinaryFile(777,'F_lambda_lastInc',&
+ trim(getSolverJobName()),size(F_lambda_lastInc))
+ read (777,rec=1) F_lambda_lastInc
close (777)
call IO_read_jobBinaryFile(777,'F_aimDot',trim(getSolverJobName()),size(f_aimDot))
read (777,rec=1) f_aimDot
@@ -274,7 +274,7 @@ type(tSolutionState) function &
math_mul3333xx33, &
math_rotate_backward33, &
math_invSym3333
- use mesh, only: &
+use mesh, only: &
mesh_ipCoordinates, &
mesh_deformedCoordsFFT
use IO, only: &
@@ -311,17 +311,18 @@ type(tSolutionState) function &
character(len=*), intent(in) :: &
incInfoIn
real(pReal), dimension(3,3), intent(in) :: rotation_BC
+
real(pReal) :: err_stress_tol
!--------------------------------------------------------------------------------------------------
! PETSc Data
- PetscScalar, dimension(:,:,:,:), pointer :: xx_psc, F, F_tau
+ PetscScalar, dimension(:,:,:,:), pointer :: xx_psc, F, F_lambda
PetscErrorCode :: ierr
- SNESConvergedReason :: reason
+ SNESConvergedReason ::reason
- incInfo = incInfoIn ! set global variable to incoming one
+ incInfo = incInfoIn
call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr)
F => xx_psc(0:8,:,:,:)
- F_tau => xx_psc(9:17,:,:,:)
+ F_lambda => xx_psc(9:17,:,:,:)
!--------------------------------------------------------------------------------------------------
! restart information for spectral solver
@@ -334,11 +335,11 @@ type(tSolutionState) function &
call IO_write_jobBinaryFile(777,'F_lastInc',size(F_lastInc)) ! writing F_lastInc field to file
write (777,rec=1) F_lastInc
close (777)
- call IO_write_jobBinaryFile(777,'F_tau',size(F_tau)) ! writing deformation gradient field to file
- write (777,rec=1) F_tau
+ call IO_write_jobBinaryFile(777,'F_lambda',size(F_lambda)) ! writing deformation gradient field to file
+ write (777,rec=1) F_lambda
close (777)
- call IO_write_jobBinaryFile(777,'F_tau_lastInc',size(F_tau_lastInc)) ! writing F_lastInc field to file
- write (777,rec=1) F_tau_lastInc
+ call IO_write_jobBinaryFile(777,'F_lambda_lastInc',size(F_lambda_lastInc)) ! writing F_lastInc field to file
+ write (777,rec=1) F_lambda_lastInc
close (777)
call IO_write_jobBinaryFile(777,'F_aimDot',size(F_aimDot))
write (777,rec=1) F_aimDot
@@ -354,7 +355,7 @@ type(tSolutionState) function &
if (cutBack) then
F_aim = F_aim_lastInc
- F_tau= reshape(F_tau_lastInc,[9,grid(1),grid(2),grid(3)])
+ F_lambda= reshape(F_lambda_lastInc,[9,grid(1),grid(2),grid(3)])
F = reshape(F_lastInc, [9,grid(1),grid(2),grid(3)])
C_volAvg = C_volAvgLastInc
else
@@ -377,11 +378,11 @@ type(tSolutionState) function &
F,[3,3,grid(1),grid(2),grid(3)])),[3,1,product(grid)])
Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
timeinc_old,guess,F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid(3)]))
- F_tauDot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
- timeinc_old,guess,F_tau_lastInc,reshape(F_tau,[3,3,grid(1),grid(2),grid(3)]))
+ F_lambdaDot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
+ timeinc_old,guess,F_lambda_lastInc,reshape(F_lambda,[3,3,grid(1),grid(2),grid(3)]))
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid(3)])
- F_tau_lastInc = reshape(F_tau,[3,3,grid(1),grid(2),grid(3)])
+ F_lambda_lastInc = reshape(F_lambda,[3,3,grid(1),grid(2),grid(3)])
endif
F_aim = F_aim + f_aimDot * timeinc
@@ -389,7 +390,7 @@ type(tSolutionState) function &
! update local deformation gradient
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! ensure that it matches rotated F_aim
math_rotate_backward33(F_aim,rotation_BC)),[9,grid(1),grid(2),grid(3)])
- F_tau = reshape(Utilities_forwardField(timeinc,F_tau_lastInc,F_taudot), [9,grid(1),grid(2),grid(3)]) ! does not have any average value as boundary condition
+ F_lambda = reshape(Utilities_forwardField(timeinc,F_lambda_lastInc,F_lambdadot), [9,grid(1),grid(2),grid(3)]) ! does not have any average value as boundary condition
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr)
CHKERRQ(ierr)
@@ -415,9 +416,8 @@ type(tSolutionState) function &
!--------------------------------------------------------------------------------------------------
! solve BVP
- call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
- CHKERRQ(ierr)
-
+ call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
+ CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! stress BC handling
err_stress = maxval(abs(mask_stress * (P_av - params%P_BC))) ! mask = 0.0 for no bc
@@ -430,11 +430,11 @@ type(tSolutionState) function &
!--------------------------------------------------------------------------------------------------
! check convergence
- call SNESGetConvergedReason(snes,reason,ierr)
- CHKERRQ(ierr)
+ call SNESGetConvergedReason(snes,reason,ierr)
+ CHKERRQ(ierr)
- AL_solution%termIll = terminallyIll
- terminallyIll = .false.
+ AL_solution%termIll = terminallyIll
+ terminallyIll = .false.
AL_solution%converged = .true.
if (reason < 1 ) AL_solution%converged = .false.
AL_solution%iterationsNeeded = totalIter
@@ -489,24 +489,24 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
f_scal
PetscScalar, pointer, dimension(:,:,:,:,:) :: &
F, &
- F_tau, &
+ F_lambda, &
residual_F, &
- residual_F_tau
+ residual_F_lambda
PetscInt :: &
PETScIter, &
nfuncs
PetscObject :: dummy
PetscErrorCode :: ierr
integer(pInt) :: &
- i, j, k, e
+ i, j, k
F => x_scal(1:3,1:3,1,&
XG_RANGE,YG_RANGE,ZG_RANGE)
- F_tau => x_scal(1:3,1:3,2,&
+ F_lambda => x_scal(1:3,1:3,2,&
XG_RANGE,YG_RANGE,ZG_RANGE)
residual_F => f_scal(1:3,1:3,1,&
X_RANGE,Y_RANGE,Z_RANGE)
- residual_F_tau => f_scal(1:3,1:3,2,&
+ residual_F_lambda => f_scal(1:3,1:3,2,&
X_RANGE,Y_RANGE,Z_RANGE)
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
@@ -533,8 +533,8 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
!
field_real = 0.0_pReal
do k = 1_pInt, grid(3); do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
- field_real(i,j,k,1:3,1:3) = math_mul3333xx33(C_scale,(polarAlpha + polarBeta)*F(1:3,1:3,i,j,k) - &
- (polarAlpha)*F_tau(1:3,1:3,i,j,k))
+ field_real(i,j,k,1:3,1:3) = math_mul3333xx33(C_scale,polarBeta*F(1:3,1:3,i,j,k) - &
+ polarAlpha*F_lambda(1:3,1:3,i,j,k))
enddo; enddo; enddo
!--------------------------------------------------------------------------------------------------
@@ -545,33 +545,30 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
!--------------------------------------------------------------------------------------------------
! constructing residual
- residual_F_tau = polarBeta*F - reshape(field_real(1:grid(1),1:grid(2),1:grid(3),1:3,1:3),&
+ residual_F_lambda = polarBeta*F - reshape(field_real(1:grid(1),1:grid(2),1:grid(3),1:3,1:3),&
[3,3,grid(1),grid(2),grid(3)],order=[3,4,5,1,2])
!--------------------------------------------------------------------------------------------------
! evaluate constitutive response
- call Utilities_constitutiveResponse(F_lastInc,F - residual_F_tau/polarBeta,params%temperature,params%timeinc, &
+ call Utilities_constitutiveResponse(F_lastInc,F - residual_F_lambda/polarBeta,params%temperature,params%timeinc, &
residual_F,C_volAvg,C_minMaxAvg,P_av,ForwardData,params%rotation_BC)
ForwardData = .False.
+
!--------------------------------------------------------------------------------------------------
! constructing residual
- e = 0_pInt
err_p = 0.0_pReal
do k = 1_pInt, grid(3); do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
- e = e + 1_pInt
- err_p = err_p + sum((math_mul3333xx33(S_scale,residual_F(1:3,1:3,i,j,k)) - &
- (F_tau(1:3,1:3,i,j,k) - &
- F(1:3,1:3,i,j,k) + residual_F_tau(1:3,1:3,i,j,k)/polarBeta))**2.0_pReal)
- residual_F(1:3,1:3,i,j,k) = math_mul3333xx33(math_invSym3333(materialpoint_dPdF(:,:,:,:,1,e) + C_scale), &
- residual_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))) &
- + residual_F_tau(1:3,1:3,i,j,k)
+ err_p = err_p + sum((math_I3 + math_mul3333xx33(S_scale,residual_F(1:3,1:3,i,j,k)) - &
+ F_lambda(1:3,1:3,i,j,k))**2.0_pReal)
+ residual_F(1:3,1:3,i,j,k) = math_I3 + math_mul3333xx33(S_scale,residual_F(1:3,1:3,i,j,k)) - &
+ F_lambda(1:3,1:3,i,j,k) &
+ + residual_F_lambda(1:3,1:3,i,j,k)
enddo; enddo; enddo
!--------------------------------------------------------------------------------------------------
! calculating errors
- err_f = wgt*sqrt(sum(residual_F_tau**2.0_pReal))/polarBeta
+ err_f = wgt*sqrt(sum(residual_F_lambda**2.0_pReal))/polarBeta
err_p = wgt*sqrt(err_p)
end subroutine AL_formResidual
@@ -601,19 +598,7 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
SNESConvergedReason :: reason
PetscObject :: dummy
PetscErrorCode ::ierr
- logical :: Converged
- Converged = (totalIter >= itmin .and. &
- all([ err_f/err_f_tol, &
- err_p/err_p_tol ] < 1.0_pReal)) &
- .or. terminallyIll
-
- if (Converged) then
- reason = 1
- elseif (totalIter >= itmax) then
- reason = -1
- else
- reason = 0
- endif
+
write(6,'(1/,a)') ' ... reporting .............................................................'
write(6,'(/,a,f8.2,a,es11.5,a,es11.4,a)') ' mismatch F = ', &
err_f/err_f_tol, &
@@ -621,8 +606,18 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
write(6,'(a,f8.2,a,es11.5,a,es11.4,a)') ' mismatch P = ', &
err_p/err_p_tol, &
' (',err_p,' -, tol =',err_p_tol,')'
- if(err_p/err_p_tol>1.0_pReal .or. err_f/err_f_tol>1.0_pReal) & ! if not converged, write line for end of iteration (otherwise stress BC check will be done)
- write(6,'(/,a)') ' ==========================================================================='
+ converged: if ((totalIter >= itmin .and. &
+ all([ err_f/err_f_tol, &
+ err_p/err_p_tol ] < 1.0_pReal)) &
+ .or. terminallyIll) then
+ reason = 1
+ elseif (totalIter >= itmax) then converged
+ reason = -1
+ write(6,'(/,a)') ' ===========================================================================' ! if leaving, write line for end of iteration (otherwise stress BC check will be done)
+ else converged
+ reason = 0
+ write(6,'(/,a)') ' ===========================================================================' ! if leaving, write line for end of iteration (otherwise stress BC check will be done)
+ endif converged
flush(6)
end subroutine AL_converged
diff --git a/code/DAMASK_spectral_solverPolarisation.f90 b/code/DAMASK_spectral_solverPolarisation.f90
new file mode 100644
index 000000000..6b7e15498
--- /dev/null
+++ b/code/DAMASK_spectral_solverPolarisation.f90
@@ -0,0 +1,648 @@
+! Copyright 2011-13 Max-Planck-Institut für Eisenforschung GmbH
+!
+! This file is part of DAMASK,
+! the Düsseldorf Advanced MAterial Simulation Kit.
+!
+! DAMASK is free software: you can redistribute it and/or modify
+! it under the terms of the GNU General Public License as published by
+! the Free Software Foundation, either version 3 of the License, or
+! (at your option) any later version.
+!
+! DAMASK is distributed in the hope that it will be useful,
+! but WITHOUT ANY WARRANTY; without even the implied warranty of
+! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+! GNU General Public License for more details.
+!
+! You should have received a copy of the GNU General Public License
+! along with DAMASK. If not, see .
+!
+!--------------------------------------------------------------------------------------------------
+! $Id$
+!--------------------------------------------------------------------------------------------------
+!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
+!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
+!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
+!> @brief Polarisation scheme solver
+!--------------------------------------------------------------------------------------------------
+module DAMASK_spectral_solverPolarisation
+ use prec, only: &
+ pInt, &
+ pReal
+ use math, only: &
+ math_I3
+ use DAMASK_spectral_utilities, only: &
+ tSolutionState
+
+ implicit none
+ private
+#include
+#include
+#include
+
+ character (len=*), parameter, public :: &
+ DAMASK_spectral_solverPolarisation_label = 'polarisation'
+
+!--------------------------------------------------------------------------------------------------
+! 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) :: temperature
+ end type tSolutionParams
+
+ type(tSolutionParams), private :: params
+ real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
+
+!--------------------------------------------------------------------------------------------------
+! PETSc data
+ DM, private :: da
+ SNES, private :: snes
+ Vec, private :: solution_vec
+
+!--------------------------------------------------------------------------------------------------
+! common pointwise data
+ real(pReal), private, dimension(:,:,:,:,:), allocatable :: &
+ F_lastInc, & !< field of previous compatible deformation gradients
+ F_tau_lastInc, & !< field of previous incompatible deformation gradient
+ Fdot, & !< field of assumed rate of compatible deformation gradient
+ F_tauDot !< field of assumed rate of incopatible deformation gradient
+
+!--------------------------------------------------------------------------------------------------
+! stress, stiffness and compliance average etc.
+ real(pReal), private, dimension(3,3) :: &
+ F_aimDot, & !< assumed rate of average deformation gradient
+ F_aim = math_I3, & !< current prescribed deformation gradient
+ F_aim_lastInc = math_I3, & !< previous average deformation gradient
+ P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress
+ character(len=1024), private :: incInfo !< time and increment information
+ real(pReal), private, dimension(3,3,3,3) :: &
+ 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)
+ C_scale = 0.0_pReal, &
+ S_scale = 0.0_pReal
+
+ real(pReal), private :: &
+ err_stress, & !< deviation from stress BC
+ err_f, & !< difference between compatible and incompatible deformation gradient
+ err_p !< difference of stress resulting from compatible and incompatible F
+ logical, private :: ForwardData
+ integer(pInt), private :: &
+ currIter = 0_pInt, & !< helper to count total iteration correctly
+ totalIter = 0_pInt !< total iteration in current increment
+
+ public :: &
+ Polarisation_init, &
+ Polarisation_solution, &
+ Polarisation_destroy
+ external :: &
+ VecDestroy, &
+ DMDestroy, &
+ DMDACreate3D, &
+ DMCreateGlobalVector, &
+ DMDASetLocalFunction, &
+ PETScFinalize, &
+ SNESDestroy, &
+ SNESGetNumberFunctionEvals, &
+ SNESGetIterationNumber, &
+ SNESSolve, &
+ SNESSetDM, &
+ SNESGetConvergedReason, &
+ SNESSetConvergenceTest, &
+ SNESSetFromOptions, &
+ SNESCreate, &
+ MPI_Abort
+
+contains
+
+!--------------------------------------------------------------------------------------------------
+!> @brief allocates all neccessary fields and fills them with data, potentially from restart info
+!> @todo use sourced allocation, e.g. allocate(Fdot,source = F_lastInc)
+!--------------------------------------------------------------------------------------------------
+subroutine Polarisation_init(temperature)
+ use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
+ use IO, only: &
+ IO_intOut, &
+ IO_read_JobBinaryFile, &
+ IO_write_JobBinaryFile, &
+ IO_timeStamp
+ use debug, only : &
+ debug_level, &
+ debug_spectral, &
+ debug_spectralRestart
+ use FEsolving, only: &
+ restartInc
+ use DAMASK_interface, only: &
+ getSolverJobName
+ use DAMASK_spectral_Utilities, only: &
+ Utilities_init, &
+ Utilities_constitutiveResponse, &
+ Utilities_updateGamma, &
+ grid, &
+ geomSize, &
+ wgt
+ use mesh, only: &
+ mesh_ipCoordinates, &
+ mesh_deformedCoordsFFT
+ use math, only: &
+ math_invSym3333
+
+ implicit none
+ real(pReal), intent(inout) :: &
+ temperature
+#include
+#include
+ real(pReal), dimension(:,:,:,:,:), allocatable :: P
+ real(pReal), dimension(3,3) :: &
+ temp33_Real = 0.0_pReal
+ real(pReal), dimension(3,3,3,3) :: &
+ temp3333_Real = 0.0_pReal, &
+ temp3333_Real2 = 0.0_pReal
+
+ PetscErrorCode :: ierr
+ PetscObject :: dummy
+ PetscScalar, pointer, dimension(:,:,:,:) :: xx_psc, F, F_tau
+
+ call Utilities_init()
+ write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverPolarisation init -+>>>'
+ write(6,'(a)') ' $Id$'
+ write(6,'(a16,a)') ' Current time : ',IO_timeStamp()
+#include "compilation_info.f90"
+
+ allocate (P (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
+!--------------------------------------------------------------------------------------------------
+! allocate global fields
+ allocate (F_lastInc (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
+ allocate (Fdot (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
+ allocate (F_tau_lastInc(3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
+ allocate (F_tauDot (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
+
+!--------------------------------------------------------------------------------------------------
+! PETSc Init
+ call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
+ call DMDACreate3d(PETSC_COMM_WORLD, &
+ DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, &
+ DMDA_STENCIL_BOX,grid(1),grid(2),grid(3),PETSC_DECIDE,PETSC_DECIDE,PETSC_DECIDE, &
+ 18,1,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,da,ierr)
+ CHKERRQ(ierr)
+ call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr)
+ call DMDASetLocalFunction(da,Polarisation_formResidual,ierr); CHKERRQ(ierr)
+ call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
+ call SNESSetConvergenceTest(snes,Polarisation_converged,dummy,PETSC_NULL_FUNCTION,ierr)
+ CHKERRQ(ierr)
+ call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr)
+
+!--------------------------------------------------------------------------------------------------
+! init fields
+ call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! places pointer xx_psc on PETSc data
+ F => xx_psc(0:8,:,:,:)
+ F_tau => xx_psc(9:17,:,:,:)
+ if (restartInc == 1_pInt) then ! no deformation (no restart)
+ F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid(3)) ! initialize to identity
+ F_tau_lastInc = F_lastInc
+ F = reshape(F_lastInc,[9,grid(1),grid(2),grid(3)])
+ F_tau = F
+ elseif (restartInc > 1_pInt) then
+ if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0) &
+ write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
+ 'reading values of increment', restartInc - 1_pInt, 'from file'
+ flush(6)
+ call IO_read_jobBinaryFile(777,'F',&
+ trim(getSolverJobName()),size(F))
+ read (777,rec=1) F
+ close (777)
+ call IO_read_jobBinaryFile(777,'F_lastInc',&
+ trim(getSolverJobName()),size(F_lastInc))
+ read (777,rec=1) F_lastInc
+ close (777)
+ F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
+ F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
+ call IO_read_jobBinaryFile(777,'F_tau',&
+ trim(getSolverJobName()),size(F_tau))
+ read (777,rec=1) F_tau
+ close (777)
+ call IO_read_jobBinaryFile(777,'F_tau_lastInc',&
+ trim(getSolverJobName()),size(F_tau_lastInc))
+ read (777,rec=1) F_tau_lastInc
+ close (777)
+ call IO_read_jobBinaryFile(777,'F_aimDot',trim(getSolverJobName()),size(f_aimDot))
+ read (777,rec=1) f_aimDot
+ close (777)
+ call IO_read_jobBinaryFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
+ read (777,rec=1) C_volAvg
+ close (777)
+ call IO_read_jobBinaryFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc))
+ read (777,rec=1) C_volAvgLastInc
+ close (777)
+ call IO_read_jobBinaryFile(777,'C_ref',trim(getSolverJobName()),size(temp3333_Real))
+ read (777,rec=1) C_minMaxAvg
+ close (777)
+ endif
+ mesh_ipCoordinates = reshape(mesh_deformedCoordsFFT(geomSize,reshape(&
+ F,[3,3,grid(1),grid(2),grid(3)])),[3,1,product(grid)])
+ call Utilities_constitutiveResponse(F,F,temperature,0.0_pReal,P,temp3333_Real,temp3333_Real2,&
+ temp33_Real,.false.,math_I3)
+ call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr)
+
+!--------------------------------------------------------------------------------------------------
+! reference stiffness
+ if (restartInc == 1_pInt) then ! use initial stiffness as reference stiffness
+ C_minMaxAvg = temp3333_Real2
+ C_volAvg = temp3333_Real
+ endif
+
+ call Utilities_updateGamma(temp3333_Real2,.True.)
+ C_scale = temp3333_Real2
+ S_scale = math_invSym3333(temp3333_Real2)
+
+end subroutine Polarisation_init
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief solution for the Polarisation scheme with internal iterations
+!--------------------------------------------------------------------------------------------------
+type(tSolutionState) function &
+ Polarisation_solution(incInfoIn,guess,timeinc,timeinc_old,loadCaseTime,P_BC,F_BC,temperature_bc,rotation_BC)
+ use numerics, only: &
+ update_gamma, &
+ itmax, &
+ err_stress_tolrel, &
+ err_stress_tolabs
+ use math, only: &
+ math_mul33x33 ,&
+ math_mul3333xx33, &
+ math_rotate_backward33, &
+ math_invSym3333
+ use mesh, only: &
+ mesh_ipCoordinates, &
+ mesh_deformedCoordsFFT
+ use IO, only: &
+ IO_write_JobBinaryFile
+ use DAMASK_spectral_Utilities, only: &
+ grid, &
+ geomSize, &
+ tBoundaryCondition, &
+ Utilities_forwardField, &
+ Utilities_calculateRate, &
+ Utilities_maskedCompliance, &
+ Utilities_updateGamma, &
+ cutBack
+ use FEsolving, only: &
+ restartWrite, &
+ terminallyIll
+
+ implicit none
+#include
+#include
+
+!--------------------------------------------------------------------------------------------------
+! input data for solution
+ real(pReal), intent(in) :: &
+ timeinc, & !< increment in time for current solution
+ timeinc_old, & !< increment in time of last increment
+ loadCaseTime, & !< remaining time of current load case
+ temperature_bc
+ 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
+ real(pReal) :: err_stress_tol
+!--------------------------------------------------------------------------------------------------
+! PETSc Data
+ PetscScalar, dimension(:,:,:,:), pointer :: xx_psc, F, F_tau
+ PetscErrorCode :: ierr
+ SNESConvergedReason :: reason
+
+ incInfo = incInfoIn ! set global variable to incoming one
+ call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr)
+ F => xx_psc(0:8,:,:,:)
+ F_tau => xx_psc(9:17,:,:,:)
+
+!--------------------------------------------------------------------------------------------------
+! restart information for spectral solver
+ if (restartWrite) then
+ write(6,'(/,a)') ' writing converged results for restart'
+ flush(6)
+ call IO_write_jobBinaryFile(777,'F',size(F)) ! writing deformation gradient field to file
+ write (777,rec=1) F
+ close (777)
+ call IO_write_jobBinaryFile(777,'F_lastInc',size(F_lastInc)) ! writing F_lastInc field to file
+ write (777,rec=1) F_lastInc
+ close (777)
+ call IO_write_jobBinaryFile(777,'F_tau',size(F_tau)) ! writing deformation gradient field to file
+ write (777,rec=1) F_tau
+ close (777)
+ call IO_write_jobBinaryFile(777,'F_tau_lastInc',size(F_tau_lastInc)) ! writing F_lastInc field to file
+ write (777,rec=1) F_tau_lastInc
+ close (777)
+ call IO_write_jobBinaryFile(777,'F_aimDot',size(F_aimDot))
+ write (777,rec=1) F_aimDot
+ close(777)
+ call IO_write_jobBinaryFile(777,'C_volAvg',size(C_volAvg))
+ write (777,rec=1) C_volAvg
+ close(777)
+ call IO_write_jobBinaryFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
+ write (777,rec=1) C_volAvgLastInc
+ close(777)
+ endif
+ Polarisation_solution%converged =.false.
+
+ if (cutBack) then
+ F_aim = F_aim_lastInc
+ F_tau= reshape(F_tau_lastInc,[9,grid(1),grid(2),grid(3)])
+ F = reshape(F_lastInc, [9,grid(1),grid(2),grid(3)])
+ C_volAvg = C_volAvgLastInc
+ else
+ C_volAvgLastInc = C_volAvg
+!--------------------------------------------------------------------------------------------------
+! calculate rate for aim
+ if (F_BC%myType=='l') then ! calculate f_aimDot from given L and current F
+ f_aimDot = F_BC%maskFloat * math_mul33x33(F_BC%values, F_aim)
+ elseif(F_BC%myType=='fdot') then ! f_aimDot is prescribed
+ f_aimDot = F_BC%maskFloat * F_BC%values
+ elseif(F_BC%myType=='f') then ! aim at end of load case is prescribed
+ f_aimDot = F_BC%maskFloat * (F_BC%values -F_aim)/loadCaseTime
+ endif
+ if (guess) f_aimDot = f_aimDot + P_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old
+ F_aim_lastInc = F_aim
+
+!--------------------------------------------------------------------------------------------------
+! update coordinates and rate and forward last inc
+ mesh_ipCoordinates = reshape(mesh_deformedCoordsFFT(geomSize,reshape(&
+ F,[3,3,grid(1),grid(2),grid(3)])),[3,1,product(grid)])
+ Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
+ timeinc_old,guess,F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid(3)]))
+ F_tauDot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
+ timeinc_old,guess,F_tau_lastInc,reshape(F_tau,[3,3,grid(1),grid(2),grid(3)]))
+
+ F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid(3)])
+ F_tau_lastInc = reshape(F_tau,[3,3,grid(1),grid(2),grid(3)])
+ endif
+ F_aim = F_aim + f_aimDot * timeinc
+
+!--------------------------------------------------------------------------------------------------
+! update local deformation gradient
+ F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! ensure that it matches rotated F_aim
+ math_rotate_backward33(F_aim,rotation_BC)),[9,grid(1),grid(2),grid(3)])
+ F_tau = reshape(Utilities_forwardField(timeinc,F_tau_lastInc,F_taudot), [9,grid(1),grid(2),grid(3)]) ! does not have any average value as boundary condition
+ call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr)
+ CHKERRQ(ierr)
+
+!--------------------------------------------------------------------------------------------------
+! update stiffness (and gamma operator)
+ S = Utilities_maskedCompliance(rotation_BC,P_BC%maskLogical,C_volAvg)
+ if (update_gamma) then
+ call Utilities_updateGamma(C_minMaxAvg,restartWrite)
+ C_scale = C_minMaxAvg
+ S_scale = math_invSym3333(C_minMaxAvg)
+ endif
+
+ ForwardData = .True.
+ mask_stress = P_BC%maskFloat
+ params%P_BC = P_BC%values
+ params%rotation_BC = rotation_BC
+ params%timeinc = timeinc
+ params%temperature = temperature_bc
+
+ err_stress_tol = 1.0_pReal; err_stress = 2.0_pReal * err_stress_tol ! ensure to start loop
+ totalIter = -1_pInt
+ do while(err_stress/err_stress_tol > 1.0_pReal) ! solve BVP and Stress RB
+
+!--------------------------------------------------------------------------------------------------
+! solve BVP
+ call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
+ CHKERRQ(ierr)
+
+!--------------------------------------------------------------------------------------------------
+! stress BC handling
+ err_stress = maxval(abs(mask_stress * (P_av - params%P_BC))) ! mask = 0.0 for no bc
+ err_stress_tol = max(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs)
+ F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%P_BC))) ! S = 0.0 for no bc
+ write(6,'(1/,a)') ' ... correcting stress boundary condition .................................'
+ write(6,'(1/,a,f8.2,a,es11.5,a,es11.4,a)') ' error stress BC = ', &
+ err_stress/err_stress_tol, ' (',err_stress, ' Pa, tol =',err_stress_tol,')'
+ write(6,'(/,a)') ' ==========================================================================='
+
+!--------------------------------------------------------------------------------------------------
+! check convergence
+ call SNESGetConvergedReason(snes,reason,ierr)
+ CHKERRQ(ierr)
+
+ Polarisation_solution%termIll = terminallyIll
+ terminallyIll = .false.
+ Polarisation_solution%converged = .true.
+ if (reason < 1 ) Polarisation_solution%converged = .false.
+ Polarisation_solution%iterationsNeeded = totalIter
+ end do
+
+end function Polarisation_solution
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief forms the Polarisation residual vector
+!--------------------------------------------------------------------------------------------------
+subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
+ use numerics, only: &
+ itmax, &
+ itmin, &
+ polarAlpha, &
+ polarBeta
+ use IO, only: &
+ IO_intOut
+ use math, only: &
+ math_rotate_backward33, &
+ math_transpose33, &
+ math_mul3333xx33, &
+ math_invSym3333
+ use DAMASK_spectral_Utilities, only: &
+ grid, &
+ wgt, &
+ field_real, &
+ Utilities_FFTforward, &
+ Utilities_fourierConvolution, &
+ Utilities_FFTbackward, &
+ Utilities_constitutiveResponse
+ use debug, only: &
+ debug_level, &
+ debug_spectral, &
+ debug_spectralRotation
+ use homogenization, only: &
+ materialpoint_P, &
+ materialpoint_dPdF
+
+ implicit none
+!--------------------------------------------------------------------------------------------------
+! strange syntax in the next line because otherwise macros expand beyond 132 character limit
+ DMDALocalInfo, dimension(&
+ DMDA_LOCAL_INFO_SIZE) :: &
+ in
+ PetscScalar, target, dimension(3,3,2, &
+ XG_RANGE,YG_RANGE,ZG_RANGE) :: &
+ x_scal
+ PetscScalar, target, dimension(3,3,2, &
+ X_RANGE,Y_RANGE,Z_RANGE) :: &
+ f_scal
+ PetscScalar, pointer, dimension(:,:,:,:,:) :: &
+ F, &
+ F_tau, &
+ residual_F, &
+ residual_F_tau
+ PetscInt :: &
+ PETScIter, &
+ nfuncs
+ PetscObject :: dummy
+ PetscErrorCode :: ierr
+ integer(pInt) :: &
+ i, j, k, e
+
+ F => x_scal(1:3,1:3,1,&
+ XG_RANGE,YG_RANGE,ZG_RANGE)
+ F_tau => x_scal(1:3,1:3,2,&
+ XG_RANGE,YG_RANGE,ZG_RANGE)
+ residual_F => f_scal(1:3,1:3,1,&
+ X_RANGE,Y_RANGE,Z_RANGE)
+ residual_F_tau => f_scal(1:3,1:3,2,&
+ X_RANGE,Y_RANGE,Z_RANGE)
+
+ call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
+ call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
+
+ if(nfuncs== 0 .and. PETScIter == 0) currIter = -1_pInt ! new increment
+
+ if (PETScIter == currIter .or. currIter == -1 ) then ! new iteration
+!--------------------------------------------------------------------------------------------------
+! report begin of new iteration
+ currIter = currIter + 1_pInt
+ totalIter = totalIter + 1_pInt
+ write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
+ ' @ 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))
+ write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', &
+ math_transpose33(F_aim)
+ flush(6)
+ endif
+
+!--------------------------------------------------------------------------------------------------
+!
+ field_real = 0.0_pReal
+ do k = 1_pInt, grid(3); do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
+ field_real(i,j,k,1:3,1:3) = math_mul3333xx33(C_scale,(polarAlpha + polarBeta)*F(1:3,1:3,i,j,k) - &
+ (polarAlpha)*F_tau(1:3,1:3,i,j,k))
+ enddo; enddo; enddo
+
+!--------------------------------------------------------------------------------------------------
+! doing convolution in Fourier space
+ call Utilities_FFTforward()
+ call Utilities_fourierConvolution(math_rotate_backward33(polarBeta*F_aim,params%rotation_BC))
+ call Utilities_FFTbackward()
+
+!--------------------------------------------------------------------------------------------------
+! constructing residual
+ residual_F_tau = polarBeta*F - reshape(field_real(1:grid(1),1:grid(2),1:grid(3),1:3,1:3),&
+ [3,3,grid(1),grid(2),grid(3)],order=[3,4,5,1,2])
+
+!--------------------------------------------------------------------------------------------------
+! evaluate constitutive response
+ call Utilities_constitutiveResponse(F_lastInc,F - residual_F_tau/polarBeta,params%temperature,params%timeinc, &
+ residual_F,C_volAvg,C_minMaxAvg,P_av,ForwardData,params%rotation_BC)
+ ForwardData = .False.
+
+!--------------------------------------------------------------------------------------------------
+! constructing residual
+ e = 0_pInt
+ err_p = 0.0_pReal
+ do k = 1_pInt, grid(3); do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
+ e = e + 1_pInt
+ err_p = err_p + sum((math_mul3333xx33(S_scale,residual_F(1:3,1:3,i,j,k)) - &
+ (F_tau(1:3,1:3,i,j,k) - &
+ F(1:3,1:3,i,j,k) + residual_F_tau(1:3,1:3,i,j,k)/polarBeta))**2.0_pReal)
+ residual_F(1:3,1:3,i,j,k) = math_mul3333xx33(math_invSym3333(materialpoint_dPdF(:,:,:,:,1,e) + C_scale), &
+ residual_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))) &
+ + residual_F_tau(1:3,1:3,i,j,k)
+ enddo; enddo; enddo
+
+!--------------------------------------------------------------------------------------------------
+! calculating errors
+ err_f = wgt*sqrt(sum(residual_F_tau**2.0_pReal))/polarBeta
+ err_p = wgt*sqrt(err_p)
+
+end subroutine Polarisation_formResidual
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief convergence check
+!--------------------------------------------------------------------------------------------------
+subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
+ use numerics, only: &
+ itmax, &
+ itmin, &
+ err_f_tol, &
+ err_p_tol, &
+ err_stress_tolrel, &
+ err_stress_tolabs
+ use FEsolving, only: &
+ terminallyIll
+
+ implicit none
+ SNES :: snes_local
+ PetscInt :: PETScIter
+ PetscReal :: &
+ xnorm, &
+ snorm, &
+ fnorm
+ SNESConvergedReason :: reason
+ PetscObject :: dummy
+ PetscErrorCode ::ierr
+ logical :: Converged
+ Converged = (totalIter >= itmin .and. &
+ all([ err_f/err_f_tol, &
+ err_p/err_p_tol ] < 1.0_pReal)) &
+ .or. terminallyIll
+
+ if (Converged) then
+ reason = 1
+ elseif (totalIter >= itmax) then
+ reason = -1
+ else
+ reason = 0
+ endif
+ write(6,'(1/,a)') ' ... reporting .............................................................'
+ write(6,'(/,a,f8.2,a,es11.5,a,es11.4,a)') ' mismatch F = ', &
+ err_f/err_f_tol, &
+ ' (',err_f,' -, tol =',err_f_tol,')'
+ write(6,'(a,f8.2,a,es11.5,a,es11.4,a)') ' mismatch P = ', &
+ err_p/err_p_tol, &
+ ' (',err_p,' -, tol =',err_p_tol,')'
+ if(err_p/err_p_tol>1.0_pReal .or. err_f/err_f_tol>1.0_pReal) & ! if not converged, write line for end of iteration (otherwise stress BC check will be done)
+ write(6,'(/,a)') ' ==========================================================================='
+ flush(6)
+
+end subroutine Polarisation_converged
+
+!--------------------------------------------------------------------------------------------------
+!> @brief destroy routine
+!--------------------------------------------------------------------------------------------------
+subroutine Polarisation_destroy()
+ use DAMASK_spectral_Utilities, only: &
+ Utilities_destroy
+
+ implicit none
+ PetscErrorCode :: ierr
+
+ call VecDestroy(solution_vec,ierr); CHKERRQ(ierr)
+ call SNESDestroy(snes,ierr); CHKERRQ(ierr)
+ call DMDestroy(da,ierr); CHKERRQ(ierr)
+ call PetscFinalize(ierr); CHKERRQ(ierr)
+ call Utilities_destroy()
+
+end subroutine Polarisation_destroy
+
+end module DAMASK_spectral_SolverPolarisation
diff --git a/code/Makefile b/code/Makefile
index 7bf8144c6..db31fe561 100644
--- a/code/Makefile
+++ b/code/Makefile
@@ -350,7 +350,9 @@ COMPILED_FILES = prec.o DAMASK_spectral_interface.o IO.o libs.o numerics.o debug
DAMASK_spectral_utilities.o DAMASK_spectral_solverBasic.o
ifdef PETSC_DIR
-PETSC_FILES = DAMASK_spectral_solverAL.o DAMASK_spectral_solverBasicPETSc.o
+PETSC_FILES = DAMASK_spectral_solverAL.o \
+ DAMASK_spectral_solverBasicPETSc.o \
+ DAMASK_spectral_solverPolarisation.o
COMPILED_FILES += $(PETSC_FILES)
endif
@@ -369,6 +371,9 @@ DAMASK_spectral_solverAL.o: DAMASK_spectral_solverAL.f90\
DAMASK_spectral_solverBasic.o: DAMASK_spectral_solverBasic.f90\
DAMASK_spectral_utilities.o
+DAMASK_spectral_solverPolarisation.o: DAMASK_spectral_solverPolarisation.f90\
+ DAMASK_spectral_utilities.o
+
DAMASK_spectral_solverBasicPETSc.o: DAMASK_spectral_solverBasicPETSc.f90\
DAMASK_spectral_utilities.o