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added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
! 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 <http://www.gnu.org/licenses/>.
!
!--------------------------------------------------------------------------------------------------
! $Id$
!--------------------------------------------------------------------------------------------------
!> @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 <finclude/petscsys.h>
#include <finclude/petscdmda.h>
#include <finclude/petscsnes.h>
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
introduced dynamics for high strain rate simulations. so far only works for materials with homogeneous density. the density is read in as an optional argument in the load file using the keyword 'den' or 'density'. if density > 0 then inertial terms are added to the stress equilibrium. an implicit euler time discretisation is used to calculate the inertial terms. dynamic problems are length scale dependent so make sure the geometry size is meaningful (1 m^3 or N m^3 for example is too big for a RVE!). not specifying a density (density = 0) will perform a quasi static simulation as before.
2013-07-26 21:55:37 +05:30
real(pReal) :: timeincOld
added Polarisation scheme as solver
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real(pReal) :: temperature
introduced dynamics for high strain rate simulations. so far only works for materials with homogeneous density. the density is read in as an optional argument in the load file using the keyword 'den' or 'density'. if density > 0 then inertial terms are added to the stress equilibrium. an implicit euler time discretisation is used to calculate the inertial terms. dynamic problems are length scale dependent so make sure the geometry size is meaningful (1 m^3 or N m^3 for example is too big for a RVE!). not specifying a density (density = 0) will perform a quasi static simulation as before.
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real(pReal) :: density
added Polarisation scheme as solver
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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
introduced dynamics for high strain rate simulations. so far only works for materials with homogeneous density. the density is read in as an optional argument in the load file using the keyword 'den' or 'density'. if density > 0 then inertial terms are added to the stress equilibrium. an implicit euler time discretisation is used to calculate the inertial terms. dynamic problems are length scale dependent so make sure the geometry size is meaningful (1 m^3 or N m^3 for example is too big for a RVE!). not specifying a density (density = 0) will perform a quasi static simulation as before.
2013-07-26 21:55:37 +05:30
F_lastInc2, & !< field of 2nd previous compatible deformation gradients
added Polarisation scheme as solver
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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
introduced dynamics for high strain rate simulations. so far only works for materials with homogeneous density. the density is read in as an optional argument in the load file using the keyword 'den' or 'density'. if density > 0 then inertial terms are added to the stress equilibrium. an implicit euler time discretisation is used to calculate the inertial terms. dynamic problems are length scale dependent so make sure the geometry size is meaningful (1 m^3 or N m^3 for example is too big for a RVE!). not specifying a density (density = 0) will perform a quasi static simulation as before.
2013-07-26 21:55:37 +05:30
complex(pReal),private, dimension(:,:,:,:,:), allocatable :: inertiaField_fourier
added Polarisation scheme as solver
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!--------------------------------------------------------------------------------------------------
! 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
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
P_av = 0.0_pReal, & !< average 1st Piola--Kirchhoff stress
P_avLastEval = 0.0_pReal !< average 1st Piola--Kirchhoff stress last call of CPFEM_general
added Polarisation scheme as solver
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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 :: &
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, &
introduced dynamics for high strain rate simulations. so far only works for materials with homogeneous density. the density is read in as an optional argument in the load file using the keyword 'den' or 'density'. if density > 0 then inertial terms are added to the stress equilibrium. an implicit euler time discretisation is used to calculate the inertial terms. dynamic problems are length scale dependent so make sure the geometry size is meaningful (1 m^3 or N m^3 for example is too big for a RVE!). not specifying a density (density = 0) will perform a quasi static simulation as before.
2013-07-26 21:55:37 +05:30
grid1Red, &
added Polarisation scheme as solver
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geomSize, &
wgt
use mesh, only: &
mesh_ipCoordinates, &
mesh_deformedCoordsFFT
use math, only: &
math_invSym3333
implicit none
real(pReal), intent(inout) :: &
temperature
#include <finclude/petscdmda.h90>
#include <finclude/petscsnes.h90>
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)
introduced dynamics for high strain rate simulations. so far only works for materials with homogeneous density. the density is read in as an optional argument in the load file using the keyword 'den' or 'density'. if density > 0 then inertial terms are added to the stress equilibrium. an implicit euler time discretisation is used to calculate the inertial terms. dynamic problems are length scale dependent so make sure the geometry size is meaningful (1 m^3 or N m^3 for example is too big for a RVE!). not specifying a density (density = 0) will perform a quasi static simulation as before.
2013-07-26 21:55:37 +05:30
allocate (F_lastInc2 (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
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)
introduced dynamics for high strain rate simulations. so far only works for materials with homogeneous density. the density is read in as an optional argument in the load file using the keyword 'den' or 'density'. if density > 0 then inertial terms are added to the stress equilibrium. an implicit euler time discretisation is used to calculate the inertial terms. dynamic problems are length scale dependent so make sure the geometry size is meaningful (1 m^3 or N m^3 for example is too big for a RVE!). not specifying a density (density = 0) will perform a quasi static simulation as before.
2013-07-26 21:55:37 +05:30
allocate (inertiaField_fourier (grid1Red,grid(2),grid(3),3,3),source = cmplx(0.0_pReal,0.0_pReal,pReal))
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
!--------------------------------------------------------------------------------------------------
! 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
introduced dynamics for high strain rate simulations. so far only works for materials with homogeneous density. the density is read in as an optional argument in the load file using the keyword 'den' or 'density'. if density > 0 then inertial terms are added to the stress equilibrium. an implicit euler time discretisation is used to calculate the inertial terms. dynamic problems are length scale dependent so make sure the geometry size is meaningful (1 m^3 or N m^3 for example is too big for a RVE!). not specifying a density (density = 0) will perform a quasi static simulation as before.
2013-07-26 21:55:37 +05:30
F_lastInc2 = F_lastInc
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
F_tau_lastInc = 2.0_pReal*F_lastInc
added Polarisation scheme as solver
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F = reshape(F_lastInc,[9,grid(1),grid(2),grid(3)])
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
F_tau = 2.0_pReal* F
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
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)
introduced dynamics for high strain rate simulations. so far only works for materials with homogeneous density. the density is read in as an optional argument in the load file using the keyword 'den' or 'density'. if density > 0 then inertial terms are added to the stress equilibrium. an implicit euler time discretisation is used to calculate the inertial terms. dynamic problems are length scale dependent so make sure the geometry size is meaningful (1 m^3 or N m^3 for example is too big for a RVE!). not specifying a density (density = 0) will perform a quasi static simulation as before.
2013-07-26 21:55:37 +05:30
call IO_read_jobBinaryFile(777,'F_lastInc2',&
trim(getSolverJobName()),size(F_lastInc2))
read (777,rec=1) F_lastInc2
close (777)
added Polarisation scheme as solver
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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 &
introduced dynamics for high strain rate simulations. so far only works for materials with homogeneous density. the density is read in as an optional argument in the load file using the keyword 'den' or 'density'. if density > 0 then inertial terms are added to the stress equilibrium. an implicit euler time discretisation is used to calculate the inertial terms. dynamic problems are length scale dependent so make sure the geometry size is meaningful (1 m^3 or N m^3 for example is too big for a RVE!). not specifying a density (density = 0) will perform a quasi static simulation as before.
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Polarisation_solution(incInfoIn,guess,timeinc,timeinc_old,loadCaseTime,P_BC,F_BC,temperature_bc,rotation_BC,density)
added Polarisation scheme as solver
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use numerics, only: &
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
update_gamma
added Polarisation scheme as solver
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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 <finclude/petscdmda.h90>
#include <finclude/petscsnes.h90>
!--------------------------------------------------------------------------------------------------
! input data for solution
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
real(pReal), intent(in) :: &
added Polarisation scheme as solver
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timeinc, & !< increment in time for current solution
timeinc_old, & !< increment in time of last increment
loadCaseTime, & !< remaining time of current load case
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
temperature_bc, &
density
added Polarisation scheme as solver
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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
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
!--------------------------------------------------------------------------------------------------
! 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)]))
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
F_tauDot = Utilities_calculateRate(math_rotate_backward33(2.0_pReal*f_aimDot,rotation_BC), &
added Polarisation scheme as solver
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timeinc_old,guess,F_tau_lastInc,reshape(F_tau,[3,3,grid(1),grid(2),grid(3)]))
introduced dynamics for high strain rate simulations. so far only works for materials with homogeneous density. the density is read in as an optional argument in the load file using the keyword 'den' or 'density'. if density > 0 then inertial terms are added to the stress equilibrium. an implicit euler time discretisation is used to calculate the inertial terms. dynamic problems are length scale dependent so make sure the geometry size is meaningful (1 m^3 or N m^3 for example is too big for a RVE!). not specifying a density (density = 0) will perform a quasi static simulation as before.
2013-07-26 21:55:37 +05:30
F_lastInc2 = F_lastInc
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
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
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! ensure that it matches rotated F_aim
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
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
introduced dynamics for high strain rate simulations. so far only works for materials with homogeneous density. the density is read in as an optional argument in the load file using the keyword 'den' or 'density'. if density > 0 then inertial terms are added to the stress equilibrium. an implicit euler time discretisation is used to calculate the inertial terms. dynamic problems are length scale dependent so make sure the geometry size is meaningful (1 m^3 or N m^3 for example is too big for a RVE!). not specifying a density (density = 0) will perform a quasi static simulation as before.
2013-07-26 21:55:37 +05:30
params%timeincOld = timeinc_old
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
params%temperature = temperature_bc
introduced dynamics for high strain rate simulations. so far only works for materials with homogeneous density. the density is read in as an optional argument in the load file using the keyword 'den' or 'density'. if density > 0 then inertial terms are added to the stress equilibrium. an implicit euler time discretisation is used to calculate the inertial terms. dynamic problems are length scale dependent so make sure the geometry size is meaningful (1 m^3 or N m^3 for example is too big for a RVE!). not specifying a density (density = 0) will perform a quasi static simulation as before.
2013-07-26 21:55:37 +05:30
params%density = density
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
!--------------------------------------------------------------------------------------------------
! solve BVP
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
CHKERRQ(ierr)
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
!--------------------------------------------------------------------------------------------------
! check convergence
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
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
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
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, &
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
polarBeta, &
err_stress_tolrel, &
err_stress_tolabs, &
set tolerances to useful values and renamed them. allowed "keyword = value" in numerics.config (simply removing "=" from line)
2013-07-31 20:33:38 +05:30
err_f_tolabs, &
err_p_tolabs, &
err_f_p_tolrel, &
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
err_stress_tolabs
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
use IO, only: &
IO_intOut
use math, only: &
math_rotate_backward33, &
math_transpose33, &
math_mul3333xx33, &
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
math_invSym3333, &
PI
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
use DAMASK_spectral_Utilities, only: &
grid, &
introduced dynamics for high strain rate simulations. so far only works for materials with homogeneous density. the density is read in as an optional argument in the load file using the keyword 'den' or 'density'. if density > 0 then inertial terms are added to the stress equilibrium. an implicit euler time discretisation is used to calculate the inertial terms. dynamic problems are length scale dependent so make sure the geometry size is meaningful (1 m^3 or N m^3 for example is too big for a RVE!). not specifying a density (density = 0) will perform a quasi static simulation as before.
2013-07-26 21:55:37 +05:30
geomSize, &
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
wgt, &
field_real, &
introduced dynamics for high strain rate simulations. so far only works for materials with homogeneous density. the density is read in as an optional argument in the load file using the keyword 'den' or 'density'. if density > 0 then inertial terms are added to the stress equilibrium. an implicit euler time discretisation is used to calculate the inertial terms. dynamic problems are length scale dependent so make sure the geometry size is meaningful (1 m^3 or N m^3 for example is too big for a RVE!). not specifying a density (density = 0) will perform a quasi static simulation as before.
2013-07-26 21:55:37 +05:30
field_fourier, &
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
Utilities_FFTforward, &
Utilities_fourierConvolution, &
introduced dynamics for high strain rate simulations. so far only works for materials with homogeneous density. the density is read in as an optional argument in the load file using the keyword 'den' or 'density'. if density > 0 then inertial terms are added to the stress equilibrium. an implicit euler time discretisation is used to calculate the inertial terms. dynamic problems are length scale dependent so make sure the geometry size is meaningful (1 m^3 or N m^3 for example is too big for a RVE!). not specifying a density (density = 0) will perform a quasi static simulation as before.
2013-07-26 21:55:37 +05:30
Utilities_inverseLaplace, &
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
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
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
real(pReal) :: correctionFactor
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
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)
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
if(nfuncs== 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
if (totalIter <= PETScIter) then ! new iteration
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
!--------------------------------------------------------------------------------------------------
! report begin of new iteration
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
introduced dynamics for high strain rate simulations. so far only works for materials with homogeneous density. the density is read in as an optional argument in the load file using the keyword 'den' or 'density'. if density > 0 then inertial terms are added to the stress equilibrium. an implicit euler time discretisation is used to calculate the inertial terms. dynamic problems are length scale dependent so make sure the geometry size is meaningful (1 m^3 or N m^3 for example is too big for a RVE!). not specifying a density (density = 0) will perform a quasi static simulation as before.
2013-07-26 21:55:37 +05:30
!--------------------------------------------------------------------------------------------------
! evaluate inertia
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
dynamic: if (params%density > 0.0_pReal) then
residual_F = ((F - F_lastInc)/params%timeinc - (F_lastInc - F_lastInc2)/params%timeincOld)/&
((params%timeinc + params%timeincOld)/2.0_pReal)
introduced dynamics for high strain rate simulations. so far only works for materials with homogeneous density. the density is read in as an optional argument in the load file using the keyword 'den' or 'density'. if density > 0 then inertial terms are added to the stress equilibrium. an implicit euler time discretisation is used to calculate the inertial terms. dynamic problems are length scale dependent so make sure the geometry size is meaningful (1 m^3 or N m^3 for example is too big for a RVE!). not specifying a density (density = 0) will perform a quasi static simulation as before.
2013-07-26 21:55:37 +05:30
residual_F = params%density*product(geomSize/grid)*residual_F
field_real = 0.0_pReal
field_real(1:grid(1),1:grid(2),1:grid(3),1:3,1:3) = reshape(residual_F,[grid(1),grid(2),grid(3),3,3],&
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
order=[4,5,1,2,3]) ! field real has a different order
introduced dynamics for high strain rate simulations. so far only works for materials with homogeneous density. the density is read in as an optional argument in the load file using the keyword 'den' or 'density'. if density > 0 then inertial terms are added to the stress equilibrium. an implicit euler time discretisation is used to calculate the inertial terms. dynamic problems are length scale dependent so make sure the geometry size is meaningful (1 m^3 or N m^3 for example is too big for a RVE!). not specifying a density (density = 0) will perform a quasi static simulation as before.
2013-07-26 21:55:37 +05:30
call Utilities_FFTforward()
call Utilities_inverseLaplace()
inertiaField_fourier = field_fourier
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
else dynamic
introduced dynamics for high strain rate simulations. so far only works for materials with homogeneous density. the density is read in as an optional argument in the load file using the keyword 'den' or 'density'. if density > 0 then inertial terms are added to the stress equilibrium. an implicit euler time discretisation is used to calculate the inertial terms. dynamic problems are length scale dependent so make sure the geometry size is meaningful (1 m^3 or N m^3 for example is too big for a RVE!). not specifying a density (density = 0) will perform a quasi static simulation as before.
2013-07-26 21:55:37 +05:30
inertiaField_fourier = cmplx(0.0_pReal,0.0_pReal,pReal)
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
endif dynamic
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
!--------------------------------------------------------------------------------------------------
!
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()
introduced dynamics for high strain rate simulations. so far only works for materials with homogeneous density. the density is read in as an optional argument in the load file using the keyword 'den' or 'density'. if density > 0 then inertial terms are added to the stress equilibrium. an implicit euler time discretisation is used to calculate the inertial terms. dynamic problems are length scale dependent so make sure the geometry size is meaningful (1 m^3 or N m^3 for example is too big for a RVE!). not specifying a density (density = 0) will perform a quasi static simulation as before.
2013-07-26 21:55:37 +05:30
field_fourier = field_fourier + polarAlpha*inertiaField_fourier
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
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
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
P_avLastEval = P_av
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
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.
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
!--------------------------------------------------------------------------------------------------
! stress BC handling
write(6,'(/,a)') ' ... correcting F to fullfill stress BC ....................................'
fixed bug in AL, weakened correction slightly
2013-07-31 02:34:41 +05:30
correctionFactor = (cos((1.0-10000.0_pReal**(-sum((P_av-P_avLastEval)**2.0_pReal)/& ! only correct when averages stress of last two calls doesn't strongly deviate
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
sum(P_av**2.0_pReal)))*PI)+1.0)/2.0_pReal
fixed bug in AL, weakened correction slightly
2013-07-31 02:34:41 +05:30
write(6,'(/,a,f10.4)') ' stress BC correction factor = ', correctionFactor
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
F_aim = F_aim - correctionFactor *math_mul3333xx33(S, ((P_av - params%P_BC))) ! S = 0.0 for no bc
err_stress = maxval(abs(mask_stress * (P_av - params%P_BC))) ! mask = 0.0 for no bc
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
!--------------------------------------------------------------------------------------------------
! 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
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) - &
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
math_mul3333xx33(C_scale,F_tau(1:3,1:3,i,j,k) - F(1:3,1:3,i,j,k) - math_I3)) &
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
+ residual_F_tau(1:3,1:3,i,j,k)
corrected invalid error for mismatch_p
2013-08-02 17:18:24 +05:30
err_p = err_p + sum((math_mul3333xx33(C_scale,residual_F(1:3,1:3,i,j,k) - residual_F_tau(1:3,1:3,i,j,k)))**2.0_pReal)
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
enddo; enddo; enddo
!--------------------------------------------------------------------------------------------------
! calculating errors
err_f = wgt*sqrt(sum(residual_F_tau**2.0_pReal))/polarBeta
err_p = wgt*sqrt(err_p)
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
end subroutine Polarisation_formResidual
!--------------------------------------------------------------------------------------------------
!> @brief convergence check
!--------------------------------------------------------------------------------------------------
subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
use numerics, only: &
itmax, &
itmin, &
set tolerances to useful values and renamed them. allowed "keyword = value" in numerics.config (simply removing "=" from line)
2013-07-31 20:33:38 +05:30
err_f_tolabs, &
err_p_tolabs, &
err_f_p_tolrel, &
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
err_stress_tolabs, &
err_stress_tolrel
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
use FEsolving, only: &
terminallyIll
implicit none
SNES :: snes_local
PetscInt :: PETScIter
PetscReal :: &
xnorm, &
snorm, &
fnorm
SNESConvergedReason :: reason
PetscObject :: dummy
PetscErrorCode ::ierr
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
real(pReal) :: &
mismatch_f_tol, &
mismatch_p_tol, &
stressBC_tol
set tolerances to useful values and renamed them. allowed "keyword = value" in numerics.config (simply removing "=" from line)
2013-07-31 20:33:38 +05:30
mismatch_f_tol = max(maxval(abs(F_aim-math_I3))*err_f_p_tolrel,err_f_tolabs)
mismatch_p_tol = max(maxval(abs(P_av)) *err_f_p_tolrel,err_p_tolabs)
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
stressBC_tol = max(maxval(abs(P_av)) *err_stress_tolrel,err_stress_tolabs)
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
write(6,'(1/,a)') ' ... reporting .............................................................'
write(6,'(/,a,f8.2,a,es11.5,a,es11.4,a)') ' mismatch F = ', &
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
err_f/mismatch_f_tol, &
' (',err_f,' -, tol =',mismatch_f_tol,')'
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
write(6,'(a,f8.2,a,es11.5,a,es11.4,a)') ' mismatch P = ', &
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
err_p/mismatch_p_tol, &
' (',err_p,' -, tol =',mismatch_p_tol,')'
write(6,'(a,f8.2,a,es11.5,a,es11.4,a)') ' error stress BC = ', &
err_stress/stressBC_tol, ' (',err_stress, ' Pa, tol =',stressBC_tol,')'
write(6,'(/,a)') ' ==========================================================================='
flush(6)
converged: if ((totalIter >= itmin .and. &
all([ err_f/mismatch_f_tol, &
err_p/mismatch_p_tol, &
err_stress/stressBC_tol] < 1.0_pReal)) &
.or. terminallyIll) then
reason = 1
elseif (totalIter >= itmax) then converged
reason = -1
else converged
reason = 0
endif converged
added Polarisation scheme as solver
2013-07-24 18:36:16 +05:30
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