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DAMASK_EICMD/code/crystallite.f90

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changed enconding of all source files to UTF-8 without BOM (signature) Codepage 65001
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! Copyright 2011 Max-Planck-Institut für Eisenforschung GmbH
added copyright text to all f90 (free) format files
2011-04-04 19:39:54 +05:30
!
! This file is part of DAMASK,
changed enconding of all source files to UTF-8 without BOM (signature) Codepage 65001
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! the Düsseldorf Advanced MAterial Simulation Kit.
added copyright text to all f90 (free) format files
2011-04-04 19:39:54 +05:30
!
! 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/>.
!
doxygen comments
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!--------------------------------------------------------------------------------------------------
! $Id$
!--------------------------------------------------------------------------------------------------
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH
!> @brief crystallite state integration functions and reporting of results
!--------------------------------------------------------------------------------------------------
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
module crystallite
use prec, only: pReal, pInt
implicit none
doxygen comments
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private
character(len=64), dimension(:,:), allocatable, private :: &
crystallite_output !< name of each post result output
integer(pInt), public, protected :: &
crystallite_maxSizePostResults
integer(pInt), dimension(:), allocatable, public, protected :: &
crystallite_sizePostResults
integer(pInt), dimension(:,:), allocatable, private :: &
crystallite_sizePostResult
integer(pInt), dimension(:,:,:), allocatable, private :: &
crystallite_symmetryID !< crystallographic symmetry 1=cubic 2=hexagonal, needed in all orientation calcs
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
doxygen comments
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real(pReal), dimension (:,:,:), allocatable, public :: &
crystallite_dt, & !< requested time increment of each grain
crystallite_Temperature, & !< Temp of each grain
crystallite_partionedTemperature0 !< Temp of each grain at start of homog inc
real(pReal), dimension (:,:,:), allocatable, private :: &
crystallite_subdt, & !< substepped time increment of each grain
crystallite_subFrac, & !< already calculated fraction of increment
crystallite_subStep, & !< size of next integration step
crystallite_subTemperature0, & !< Temp of each grain at start of crystallite inc
crystallite_dotTemperature !< evolution of Temperature of each grain
real(pReal), dimension (:,:,:,:), allocatable, public :: &
crystallite_Tstar_v, & !< current 2nd Piola-Kirchhoff stress vector (end of converged time step)
crystallite_Tstar0_v, & !< 2nd Piola-Kirchhoff stress vector at start of FE inc
crystallite_partionedTstar0_v !< 2nd Piola-Kirchhoff stress vector at start of homog inc
real(pReal), dimension (:,:,:,:), allocatable, private :: &
crystallite_subTstar0_v, & !< 2nd Piola-Kirchhoff stress vector at start of crystallite inc
crystallite_orientation, & !< orientation as quaternion
crystallite_orientation0, & !< initial orientation as quaternion
crystallite_rotation !< grain rotation away from initial orientation as axis-angle (in degrees) in crystal reference frame
real(pReal), dimension (:,:,:,:,:), allocatable, public :: &
crystallite_Fp, & !< current plastic def grad (end of converged time step)
crystallite_Fp0, & !< plastic def grad at start of FE inc
crystallite_partionedFp0,& !< plastic def grad at start of homog inc
crystallite_F0, & !< def grad at start of FE inc
crystallite_partionedF, & !< def grad to be reached at end of homog inc
crystallite_partionedF0, & !< def grad at start of homog inc
crystallite_Lp, & !< current plastic velocitiy grad (end of converged time step)
crystallite_Lp0, & !< plastic velocitiy grad at start of FE inc
crystallite_partionedLp0,& !< plastic velocity grad at start of homog inc
crystallite_P !< 1st Piola-Kirchhoff stress per grain
real(pReal), dimension (:,:,:,:,:), allocatable, private :: &
crystallite_Fe, & !< current "elastic" def grad (end of converged time step)
crystallite_subFe0,& !< "elastic" def grad at start of crystallite inc
crystallite_invFp, & !< inverse of current plastic def grad (end of converged time step)
crystallite_subFp0,& !< plastic def grad at start of crystallite inc
crystallite_subF, & !< def grad to be reached at end of crystallite inc
crystallite_subF0, & !< def grad at start of crystallite inc
crystallite_subLp0,& !< plastic velocity grad at start of crystallite inc
crystallite_disorientation !< disorientation between two neighboring ips (only calculated for single grain IPs)
real(pReal), dimension (:,:,:,:,:,:,:), allocatable, public :: &
crystallite_dPdF, & !< current individual dPdF per grain (end of converged time step)
crystallite_dPdF0, & !< individual dPdF per grain at start of FE inc
crystallite_partioneddPdF0 !< individual dPdF per grain at start of homog inc
real(pReal), dimension (:,:,:,:,:,:,:), allocatable, private :: &
crystallite_fallbackdPdF !< dPdF fallback for non-converged grains (elastic prediction)
logical, dimension (:,:,:), allocatable, public :: &
crystallite_requested !< flag to request crystallite calculation
logical, dimension (:,:,:), allocatable, public, protected :: &
crystallite_converged !< convergence flag
logical, dimension (:,:,:), allocatable, private :: &
crystallite_localPlasticity, & !< indicates this grain to have purely local constitutive law
crystallite_todo !< flag to indicate need for further computation
logical, dimension (:,:), allocatable, private :: &
crystallite_clearToWindForward, &
crystallite_clearToCutback, &
crystallite_syncSubFrac, &
crystallite_syncSubFracCompleted, &
crystallite_neighborEnforcedCutback
public :: &
crystallite_init, &
crystallite_stressAndItsTangent, &
crystallite_orientations, &
crystallite_postResults
private :: &
crystallite_integrateStateFPI, &
crystallite_integrateStateEuler, &
crystallite_integrateStateAdaptiveEuler, &
crystallite_integrateStateRK4, &
crystallite_integrateStateRKCK45, &
crystallite_integrateStress, &
crystallite_stateJump
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
contains
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
doxygen comments
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!--------------------------------------------------------------------------------------------------
!> @brief allocates and initialize per grain variables
!--------------------------------------------------------------------------------------------------
Major Update: all modules are now correctly submitted
2009-07-01 16:25:31 +05:30
subroutine crystallite_init(Temperature)
doxygen comments
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
use debug, only: debug_info, &
debug_reset, &
debug_level, &
debug_crystallite, &
debug_levelBasic
use math, only: math_I3, &
math_EulerToR, &
math_inv33, &
math_transpose33, &
math_mul33xx33, &
math_mul33x33
use FEsolving, only: FEsolving_execElem, &
FEsolving_execIP
use mesh, only: mesh_element, &
mesh_NcpElems, &
mesh_maxNips, &
mesh_maxNipNeighbors
use IO
use material
use lattice, only: lattice_symmetryType
use constitutive, only: constitutive_microstructure
use constitutive_phenopowerlaw, only: constitutive_phenopowerlaw_label, &
moved stiffness tensor calculation to lattice introduced 'isotropic' and 'orthorhombic' lattice types to use corresponding symmetries in stiffness tensor. intended to be used with non-crystal plasticity models (j2, constitutive_none with isotropic, cubic or orthotropic elasticity).
2013-01-22 03:27:26 +05:30
constitutive_phenopowerlaw_structureName
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
use constitutive_titanmod, only: constitutive_titanmod_label, &
moved stiffness tensor calculation to lattice introduced 'isotropic' and 'orthorhombic' lattice types to use corresponding symmetries in stiffness tensor. intended to be used with non-crystal plasticity models (j2, constitutive_none with isotropic, cubic or orthotropic elasticity).
2013-01-22 03:27:26 +05:30
constitutive_titanmod_structureName
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
use constitutive_dislotwin, only: constitutive_dislotwin_label, &
moved stiffness tensor calculation to lattice introduced 'isotropic' and 'orthorhombic' lattice types to use corresponding symmetries in stiffness tensor. intended to be used with non-crystal plasticity models (j2, constitutive_none with isotropic, cubic or orthotropic elasticity).
2013-01-22 03:27:26 +05:30
constitutive_dislotwin_structureName
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
use constitutive_nonlocal, only: constitutive_nonlocal_label, &
moved stiffness tensor calculation to lattice introduced 'isotropic' and 'orthorhombic' lattice types to use corresponding symmetries in stiffness tensor. intended to be used with non-crystal plasticity models (j2, constitutive_none with isotropic, cubic or orthotropic elasticity).
2013-01-22 03:27:26 +05:30
constitutive_nonlocal_structureName
reworked crystallite part to allow for flexible user output --> new "crystallite" part in config file --> new "crystallite" option for microstructures --> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 23:09:11 +05:30
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
implicit none
doxygen comments
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real(pReal), intent(in) :: Temperature
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
integer(pInt), parameter :: myFile = 200_pInt, &
maxNchunks = 2_pInt
!*** local variables ***!
integer(pInt), dimension(1+2*maxNchunks) :: positions
integer(pInt) g, & ! grain number
i, & ! integration point number
e, & ! element number
gMax, & ! maximum number of grains
iMax, & ! maximum number of integration points
eMax, & ! maximum number of elements
nMax, & ! maximum number of ip neighbors
myNgrains, & ! number of grains in current IP
section, &
j, &
p, &
output, &
mySize, &
myPhase, &
myMat
character(len=64) tag
character(len=1024) line
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
write(6,'(/,a)') ' <<<+- crystallite init -+>>>'
write(6,'(a)') ' $Id$'
reporting current time for most module inits
2013-02-25 22:04:59 +05:30
write(6,'(a16,a)') ' Current time : ',IO_timeStamp()
made code standard conform to Fortran 2008 (ignoring warning concerning comments beyond character 132). Basically, changing "x" format specifier to "Nx" ("1x") plus removing $ format specifier added compiler switches for gfortran and ifort to check for standard conformity old gnu compilers <4.4 are not longer supported because they don't provide the c binding for fftw
2012-02-01 00:48:55 +05:30
#include "compilation_info.f90"
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
gMax = homogenization_maxNgrains
iMax = mesh_maxNips
eMax = mesh_NcpElems
nMax = mesh_maxNipNeighbors
allocate(crystallite_Temperature(gMax,iMax,eMax)); crystallite_Temperature = Temperature
allocate(crystallite_partionedTemperature0(gMax,iMax,eMax)); crystallite_partionedTemperature0 = 0.0_pReal
allocate(crystallite_subTemperature0(gMax,iMax,eMax)); crystallite_subTemperature0 = 0.0_pReal
allocate(crystallite_dotTemperature(gMax,iMax,eMax)); crystallite_dotTemperature = 0.0_pReal
allocate(crystallite_Tstar0_v(6,gMax,iMax,eMax)); crystallite_Tstar0_v = 0.0_pReal
allocate(crystallite_partionedTstar0_v(6,gMax,iMax,eMax)); crystallite_partionedTstar0_v = 0.0_pReal
allocate(crystallite_subTstar0_v(6,gMax,iMax,eMax)); crystallite_subTstar0_v = 0.0_pReal
allocate(crystallite_Tstar_v(6,gMax,iMax,eMax)); crystallite_Tstar_v = 0.0_pReal
allocate(crystallite_P(3,3,gMax,iMax,eMax)); crystallite_P = 0.0_pReal
allocate(crystallite_F0(3,3,gMax,iMax,eMax)); crystallite_F0 = 0.0_pReal
allocate(crystallite_partionedF0(3,3,gMax,iMax,eMax)); crystallite_partionedF0 = 0.0_pReal
allocate(crystallite_partionedF(3,3,gMax,iMax,eMax)); crystallite_partionedF = 0.0_pReal
allocate(crystallite_subF0(3,3,gMax,iMax,eMax)); crystallite_subF0 = 0.0_pReal
allocate(crystallite_subF(3,3,gMax,iMax,eMax)); crystallite_subF = 0.0_pReal
allocate(crystallite_Fp0(3,3,gMax,iMax,eMax)); crystallite_Fp0 = 0.0_pReal
allocate(crystallite_partionedFp0(3,3,gMax,iMax,eMax)); crystallite_partionedFp0 = 0.0_pReal
allocate(crystallite_subFp0(3,3,gMax,iMax,eMax)); crystallite_subFp0 = 0.0_pReal
allocate(crystallite_Fp(3,3,gMax,iMax,eMax)); crystallite_Fp = 0.0_pReal
allocate(crystallite_invFp(3,3,gMax,iMax,eMax)); crystallite_invFp = 0.0_pReal
allocate(crystallite_Fe(3,3,gMax,iMax,eMax)); crystallite_Fe = 0.0_pReal
allocate(crystallite_subFe0(3,3,gMax,iMax,eMax)); crystallite_subFe0 = 0.0_pReal
allocate(crystallite_Lp0(3,3,gMax,iMax,eMax)); crystallite_Lp0 = 0.0_pReal
allocate(crystallite_partionedLp0(3,3,gMax,iMax,eMax)); crystallite_partionedLp0 = 0.0_pReal
allocate(crystallite_subLp0(3,3,gMax,iMax,eMax)); crystallite_subLp0 = 0.0_pReal
allocate(crystallite_Lp(3,3,gMax,iMax,eMax)); crystallite_Lp = 0.0_pReal
allocate(crystallite_dPdF(3,3,3,3,gMax,iMax,eMax)); crystallite_dPdF = 0.0_pReal
allocate(crystallite_dPdF0(3,3,3,3,gMax,iMax,eMax)); crystallite_dPdF0 = 0.0_pReal
allocate(crystallite_partioneddPdF0(3,3,3,3,gMax,iMax,eMax)); crystallite_partioneddPdF0 = 0.0_pReal
allocate(crystallite_fallbackdPdF(3,3,3,3,gMax,iMax,eMax)); crystallite_fallbackdPdF = 0.0_pReal
allocate(crystallite_dt(gMax,iMax,eMax)); crystallite_dt = 0.0_pReal
allocate(crystallite_subdt(gMax,iMax,eMax)); crystallite_subdt = 0.0_pReal
allocate(crystallite_subFrac(gMax,iMax,eMax)); crystallite_subFrac = 0.0_pReal
allocate(crystallite_subStep(gMax,iMax,eMax)); crystallite_subStep = 0.0_pReal
allocate(crystallite_orientation(4,gMax,iMax,eMax)); crystallite_orientation = 0.0_pReal
allocate(crystallite_orientation0(4,gMax,iMax,eMax)); crystallite_orientation0 = 0.0_pReal
allocate(crystallite_rotation(4,gMax,iMax,eMax)); crystallite_rotation = 0.0_pReal
allocate(crystallite_disorientation(4,nMax,gMax,iMax,eMax)); crystallite_disorientation = 0.0_pReal
allocate(crystallite_symmetryID(gMax,iMax,eMax)); crystallite_symmetryID = 0_pInt
allocate(crystallite_localPlasticity(gMax,iMax,eMax)); crystallite_localPlasticity = .true.
allocate(crystallite_requested(gMax,iMax,eMax)); crystallite_requested = .false.
allocate(crystallite_todo(gMax,iMax,eMax)); crystallite_todo = .false.
allocate(crystallite_converged(gMax,iMax,eMax)); crystallite_converged = .true.
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
allocate(crystallite_clearToWindForward(iMax,eMax)); crystallite_clearToWindForward = .true.
allocate(crystallite_syncSubFrac(iMax,eMax)); crystallite_syncSubFrac = .false.
allocate(crystallite_syncSubFracCompleted(iMax,eMax)); crystallite_syncSubFracCompleted = .false.
allocate(crystallite_clearToCutback(iMax,eMax)); crystallite_clearToCutback = .true.
allocate(crystallite_neighborEnforcedCutback(iMax,eMax)); crystallite_neighborEnforcedCutback = .false.
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
allocate(crystallite_output(maxval(crystallite_Noutput), &
material_Ncrystallite)) ; crystallite_output = ''
allocate(crystallite_sizePostResults(material_Ncrystallite)) ; crystallite_sizePostResults = 0_pInt
allocate(crystallite_sizePostResult(maxval(crystallite_Noutput), &
material_Ncrystallite)) ; crystallite_sizePostResult = 0_pInt
doxygen comments
2013-02-22 04:38:36 +05:30
if (.not. IO_open_jobFile_stat(myFile,material_localFileExt)) then ! no local material configuration present...
call IO_open_file(myFile,material_configFile) ! ...open material.config file
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
endif
line = ''
section = 0_pInt
doxygen comments
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do while (IO_lc(IO_getTag(line,'<','>')) /= material_partCrystallite) ! wind forward to <crystallite>
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
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read(myFile,'(a1024)',END=100) line
enddo
doxygen comments
2013-02-22 04:38:36 +05:30
do ! read thru sections of phase part
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
read(myFile,'(a1024)',END=100) line
doxygen comments
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if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') exit ! stop at next part
if (IO_getTag(line,'[',']') /= '') then ! next section
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
section = section + 1_pInt
doxygen comments
2013-02-22 04:38:36 +05:30
output = 0_pInt ! reset output counter
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
endif
if (section > 0_pInt) then
positions = IO_stringPos(line,maxNchunks)
doxygen comments
2013-02-22 04:38:36 +05:30
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
select case(tag)
case ('(output)')
output = output + 1_pInt
crystallite_output(output,section) = IO_lc(IO_stringValue(line,positions,2_pInt))
end select
endif
enddo
again: adding pInt, removing redundant use statments, chang in dble to real(,pReal)
2012-02-21 22:01:37 +05:30
100 close(myFile)
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
do i = 1_pInt,material_Ncrystallite ! sanity checks
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
enddo
do i = 1_pInt,material_Ncrystallite
do j = 1_pInt,crystallite_Noutput(i)
select case(crystallite_output(j,i))
new crystallite output "grainrotationX", "grainrotationY", "grainrotationZ" that gives the deviation of the initial orientation in degrees around the sample reference x/y/z axis, while "grainrotation" still gives the same as axis angle pair in crystal coordinates
2013-01-16 14:15:41 +05:30
case('phase','texture','volume','grainrotationx','grainrotationy','grainrotationz')
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
mySize = 1_pInt
doxygen comments
2013-02-22 04:38:36 +05:30
case('orientation','grainrotation') ! orientation as quaternion, or deviation from initial grain orientation in axis-angle form (angle in degrees)
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
mySize = 4_pInt
doxygen comments
2013-02-22 04:38:36 +05:30
case('eulerangles') ! Bunge (3-1-3) Euler angles
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
mySize = 3_pInt
case('defgrad','f','fe','fp','lp','e','ee','p','firstpiola','1stpiola','s','tstar','secondpiola','2ndpiola')
mySize = 9_pInt
case('elasmatrix')
mySize = 36_pInt
case default
mySize = 0_pInt
end select
doxygen comments
2013-02-22 04:38:36 +05:30
if (mySize > 0_pInt) then ! any meaningful output found
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
crystallite_sizePostResult(j,i) = mySize
crystallite_sizePostResults(i) = crystallite_sizePostResults(i) + mySize
endif
enddo
enddo
crystallite_maxSizePostResults = 0_pInt
do j = 1_pInt,material_Nmicrostructure
if (microstructure_active(j)) &
crystallite_maxSizePostResults = max(crystallite_maxSizePostResults,&
crystallite_sizePostResults(microstructure_crystallite(j)))
enddo
Tstar_v is now restored at different stages of cutbacking; we need this because preguess of state relies on consistent Tstar_v
2009-06-16 14:33:30 +05:30
reworked crystallite part to allow for flexible user output --> new "crystallite" part in config file --> new "crystallite" option for microstructures --> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 23:09:11 +05:30
! write description file for crystallite output
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
call IO_write_jobFile(myFile,'outputCrystallite')
do p = 1_pInt,material_Ncrystallite
write(myFile,*)
write(myFile,'(a)') '['//trim(crystallite_name(p))//']'
write(myFile,*)
do e = 1_pInt,crystallite_Noutput(p)
write(myFile,'(a,i4)') trim(crystallite_output(e,p))//char(9),crystallite_sizePostResult(e,p)
enddo
enddo
close(myFile)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over all cp elements
myNgrains = homogenization_Ngrains(mesh_element(3,e)) ! look up homogenization-->grainCount
forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), g = 1_pInt:myNgrains)
crystallite_Fp0(1:3,1:3,g,i,e) = math_EulerToR(material_EulerAngles(1:3,g,i,e)) ! plastic def gradient reflects init orientation
crystallite_F0(1:3,1:3,g,i,e) = math_I3
crystallite_localPlasticity(g,i,e) = phase_localPlasticity(material_phase(g,i,e))
crystallite_Fe(1:3,1:3,g,i,e) = math_transpose33(crystallite_Fp0(1:3,1:3,g,i,e))
crystallite_Fp(1:3,1:3,g,i,e) = crystallite_Fp0(1:3,1:3,g,i,e)
crystallite_requested now masked by execIP, now elemhomogeneous works again
2012-11-19 20:43:48 +05:30
crystallite_requested(g,i,e) = .true.
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
endforall
enddo
openmp parallelization working again (at least for j2 and nonlocal constitutive model). In order to keep it like that, please follow these simple rules: DON'T use implicit array subscripts: example: real, dimension(3,3) :: A,B A(:,2) = B(:,1) <--- DON'T USE A(1:3,2) = B(1:3,1) <--- BETTER USE In many cases the use of explicit array subscripts is inevitable for parallelization. Additionally, it is an easy means to prevent memory leaks. Enclose all write statements with the following: !$OMP CRITICAL (write2out) <your write statement> !$OMP END CRITICAL (write2out) Whenever you change something in the code and are not sure if it affects parallelization and leads to nonconforming behavior, please ask me and/or Franz to check this.
2011-03-17 16:16:17 +05:30
crystallite_partionedTemperature0 = Temperature ! isothermal assumption
crystallite_partionedFp0 = crystallite_Fp0
crystallite_partionedF0 = crystallite_F0
crystallite_partionedF = crystallite_F0
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
homogenization_RGC.f90 >> just switching-off one of the debugging statement. crystallite.f90 >> optimizing the perturbation algorithm for local tangent.
2009-12-22 17:58:02 +05:30
New array crystallite_symmetryID(i,g,e) is now filled during initialization run with 1 for bcc and fcc phase and 2 for hexagonal phase. The values are needed for misorientation calculations to apply the correct symmetry operators for cubic and hexagonal phases.
2010-04-19 15:33:34 +05:30
! Initialize crystallite_symmetryID(g,i,e)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do g = 1_pInt,myNgrains
myPhase = material_phase(g,i,e)
myMat = phase_plasticityInstance(myPhase)
select case (phase_plasticity(myPhase))
case (constitutive_phenopowerlaw_label)
moved stiffness tensor calculation to lattice introduced 'isotropic' and 'orthorhombic' lattice types to use corresponding symmetries in stiffness tensor. intended to be used with non-crystal plasticity models (j2, constitutive_none with isotropic, cubic or orthotropic elasticity).
2013-01-22 03:27:26 +05:30
crystallite_symmetryID(g,i,e) = lattice_symmetryType(constitutive_phenopowerlaw_structureName(myMat))
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
case (constitutive_titanmod_label)
moved stiffness tensor calculation to lattice introduced 'isotropic' and 'orthorhombic' lattice types to use corresponding symmetries in stiffness tensor. intended to be used with non-crystal plasticity models (j2, constitutive_none with isotropic, cubic or orthotropic elasticity).
2013-01-22 03:27:26 +05:30
crystallite_symmetryID(g,i,e) = lattice_symmetryType(constitutive_titanmod_structureName(myMat))
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
case (constitutive_dislotwin_label)
moved stiffness tensor calculation to lattice introduced 'isotropic' and 'orthorhombic' lattice types to use corresponding symmetries in stiffness tensor. intended to be used with non-crystal plasticity models (j2, constitutive_none with isotropic, cubic or orthotropic elasticity).
2013-01-22 03:27:26 +05:30
crystallite_symmetryID(g,i,e) = lattice_symmetryType(constitutive_dislotwin_structureName(myMat))
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
case (constitutive_nonlocal_label)
moved stiffness tensor calculation to lattice introduced 'isotropic' and 'orthorhombic' lattice types to use corresponding symmetries in stiffness tensor. intended to be used with non-crystal plasticity models (j2, constitutive_none with isotropic, cubic or orthotropic elasticity).
2013-01-22 03:27:26 +05:30
crystallite_symmetryID(g,i,e) = lattice_symmetryType(constitutive_nonlocal_structureName(myMat))
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
case default
moved stiffness tensor calculation to lattice introduced 'isotropic' and 'orthorhombic' lattice types to use corresponding symmetries in stiffness tensor. intended to be used with non-crystal plasticity models (j2, constitutive_none with isotropic, cubic or orthotropic elasticity).
2013-01-22 03:27:26 +05:30
crystallite_symmetryID(g,i,e) = 0_pInt ! does this happen for j2 material?
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
end select
New array crystallite_symmetryID(i,g,e) is now filled during initialization run with 1 for bcc and fcc phase and 2 for hexagonal phase. The values are needed for misorientation calculations to apply the correct symmetry operators for cubic and hexagonal phases.
2010-04-19 15:33:34 +05:30
enddo
enddo
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
enddo
New output can be requested from crystallite: (output) grainrotation it gives the deviation from the initial grain orientation in axis-angle representation with the angle in degrees.
2010-04-12 16:44:36 +05:30
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
call crystallite_orientations()
crystallite_orientation0 = crystallite_orientation ! Store initial orientations for calculation of grain rotations
Tstar_v is now restored at different stages of cutbacking; we need this because preguess of state relies on consistent Tstar_v
2009-06-16 14:33:30 +05:30
No need to call constitutive_microstructure at the beginning of each crystallite step, since it's already been done at the end of the previous step. Just do it once after initialization to start with correct values for the dependent state variables.
2011-03-21 16:05:42 +05:30
!$OMP PARALLEL DO PRIVATE(myNgrains)
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
again: adding pInt, removing redundant use statments, chang in dble to real(,pReal)
2012-02-21 22:01:37 +05:30
do g = 1_pInt,myNgrains
dislocation stress does not add to stress field anymore, but is only available as constitutive output for purposes of postprocessing. instead, we now use a backstress term (which is added to the resolved shear stress) that depends on the gradient of excess density on the same slip system.
2012-01-17 15:56:57 +05:30
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Fe(1:3,1:3,g,i,e), &
crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
No need to call constitutive_microstructure at the beginning of each crystallite step, since it's already been done at the end of the previous step. Just do it once after initialization to start with correct values for the dependent state variables.
2011-03-21 16:05:42 +05:30
enddo
enddo
enddo
!$OMP END PARALLEL DO
simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for
2012-03-14 19:26:50 +05:30
call crystallite_stressAndItsTangent(.true.,.false.) ! request elastic answers
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
crystallite_fallbackdPdF = crystallite_dPdF ! use initial elastic stiffness as fallback
doxygen comments
2013-02-22 04:38:36 +05:30
! *** Output ***
changed variable name "debug_what" to "debug_level"
2012-07-05 15:24:50 +05:30
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
made code standard conform to Fortran 2008 (ignoring warning concerning comments beyond character 132). Basically, changing "x" format specifier to "Nx" ("1x") plus removing $ format specifier added compiler switches for gfortran and ifort to check for standard conformity old gnu compilers <4.4 are not longer supported because they don't provide the c binding for fftw
2012-02-01 00:48:55 +05:30
write(6,'(a35,1x,7(i8,1x))') 'crystallite_Temperature: ', shape(crystallite_Temperature)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_dotTemperature: ', shape(crystallite_dotTemperature)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_Fe: ', shape(crystallite_Fe)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_Fp: ', shape(crystallite_Fp)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_Lp: ', shape(crystallite_Lp)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_F0: ', shape(crystallite_F0)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_Fp0: ', shape(crystallite_Fp0)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_Lp0: ', shape(crystallite_Lp0)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_partionedF: ', shape(crystallite_partionedF)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_partionedTemp0: ', shape(crystallite_partionedTemperature0)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_partionedF0: ', shape(crystallite_partionedF0)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_partionedFp0: ', shape(crystallite_partionedFp0)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_partionedLp0: ', shape(crystallite_partionedLp0)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_subF: ', shape(crystallite_subF)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_subTemperature0: ', shape(crystallite_subTemperature0)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_symmetryID: ', shape(crystallite_symmetryID)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_subF0: ', shape(crystallite_subF0)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_subFe0: ', shape(crystallite_subFe0)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_subFp0: ', shape(crystallite_subFp0)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_subLp0: ', shape(crystallite_subLp0)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_P: ', shape(crystallite_P)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_Tstar_v: ', shape(crystallite_Tstar_v)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_Tstar0_v: ', shape(crystallite_Tstar0_v)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_partionedTstar0_v: ', shape(crystallite_partionedTstar0_v)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_subTstar0_v: ', shape(crystallite_subTstar0_v)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_dPdF: ', shape(crystallite_dPdF)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_dPdF0: ', shape(crystallite_dPdF0)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_partioneddPdF0: ', shape(crystallite_partioneddPdF0)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_fallbackdPdF: ', shape(crystallite_fallbackdPdF)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_orientation: ', shape(crystallite_orientation)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_orientation0: ', shape(crystallite_orientation0)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_rotation: ', shape(crystallite_rotation)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_disorientation: ', shape(crystallite_disorientation)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_dt: ', shape(crystallite_dt)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_subdt: ', shape(crystallite_subdt)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_subFrac: ', shape(crystallite_subFrac)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_subStep: ', shape(crystallite_subStep)
instantaneous jumps in the state by constitutive_deltaState are now incorporated for all state integrators. still they (should) not influence the result, since all constitutive laws simply return zero for the deltaState
2012-05-17 20:55:21 +05:30
write(6,'(a35,1x,7(i8,1x))') 'crystallite_localPlasticity: ', shape(crystallite_localPlasticity)
made code standard conform to Fortran 2008 (ignoring warning concerning comments beyond character 132). Basically, changing "x" format specifier to "Nx" ("1x") plus removing $ format specifier added compiler switches for gfortran and ifort to check for standard conformity old gnu compilers <4.4 are not longer supported because they don't provide the c binding for fftw
2012-02-01 00:48:55 +05:30
write(6,'(a35,1x,7(i8,1x))') 'crystallite_requested: ', shape(crystallite_requested)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_todo: ', shape(crystallite_todo)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_converged: ', shape(crystallite_converged)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_sizePostResults: ', shape(crystallite_sizePostResults)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_sizePostResult: ', shape(crystallite_sizePostResult)
debugging output is now controlled by the "verbosity" parameter in the debug.config ranging from 0 (=almost no output) to 8 (=very detailed output) 0 : only version infos and all from "hypela2"/"umat" 1 : basic outputs from "CPFEM.f90", basic output from initialization routines, debug_info 2 : extensive outputs from "CPFEM.f90", extensive output from initialization routines 3 : basic outputs from "homogenization.f90" 4 : extensive outputs from "homogenization.f90" 5 : basic outputs from "crystallite.f90" 6 : extensive outputs from "crystallite.f90" 7 : basic outputs from the constitutive files 8 : extensive outputs from the constitutive files If verbosity is equal to zero, all counters in debug are not set during calculation (e.g. debug_StressLoopDistribution or debug_cumDotStateTicks). This might speed up parallel calculation, because all these need critical statements which extremely slow down parallel computation.
2011-03-21 16:01:17 +05:30
write(6,*)
replaced keyword constitution with plasticity in preparation of upcomming generalized elasticity
2012-03-12 19:39:37 +05:30
write(6,*) 'Number of nonlocal grains: ',count(.not. crystallite_localPlasticity)
substituted matrix inversion to solve equation by direct solution routine from LAPACK
2012-10-31 15:26:26 +05:30
flush(6)
debugging output is now controlled by the "verbosity" parameter in the debug.config ranging from 0 (=almost no output) to 8 (=very detailed output) 0 : only version infos and all from "hypela2"/"umat" 1 : basic outputs from "CPFEM.f90", basic output from initialization routines, debug_info 2 : extensive outputs from "CPFEM.f90", extensive output from initialization routines 3 : basic outputs from "homogenization.f90" 4 : extensive outputs from "homogenization.f90" 5 : basic outputs from "crystallite.f90" 6 : extensive outputs from "crystallite.f90" 7 : basic outputs from the constitutive files 8 : extensive outputs from the constitutive files If verbosity is equal to zero, all counters in debug are not set during calculation (e.g. debug_StressLoopDistribution or debug_cumDotStateTicks). This might speed up parallel calculation, because all these need critical statements which extremely slow down parallel computation.
2011-03-21 16:01:17 +05:30
endif
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
call debug_info
call debug_reset
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end subroutine crystallite_init
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief calculate stress (P) and tangent (dPdF) for crystallites
!--------------------------------------------------------------------------------------------------
simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for
2012-03-14 19:26:50 +05:30
subroutine crystallite_stressAndItsTangent(updateJaco,rate_sensitivity)
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
use numerics, only: subStepMinCryst, &
subStepSizeCryst, &
stepIncreaseCryst, &
pert_Fg, &
pert_method, &
nCryst, &
numerics_integrator, &
numerics_integrationMode, &
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
numerics_timeSyncing, &
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
relevantStrain, &
simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for
2012-03-14 19:26:50 +05:30
analyticJaco
changed variable name "debug_what" to "debug_level"
2012-07-05 15:24:50 +05:30
use debug, only: debug_level, &
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
debug_crystallite, &
debug_levelBasic, &
debug_levelExtensive, &
debug_levelSelective, &
debug_e, &
debug_i, &
debug_g, &
debug_CrystalliteLoopDistribution
use IO, only: IO_warning
use math, only: math_inv33, &
math_identity2nd, &
math_transpose33, &
math_mul33x33, &
math_mul66x6, &
math_Mandel6to33, &
math_Mandel33to6, &
math_I3, &
simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for
2012-03-14 19:26:50 +05:30
math_mul3333xx3333
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
use FEsolving, only: FEsolving_execElem, &
FEsolving_execIP
use mesh, only: mesh_element, &
mesh_NcpElems, &
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
mesh_maxNips, &
mesh_ipNeighborhood, &
fixed bug in last revision: FE_geomType was not in namespace
2012-12-10 22:52:16 +05:30
FE_NipNeighbors, &
FE_geomtype
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
use material, only: homogenization_Ngrains, &
homogenization_maxNgrains
use constitutive, only: constitutive_sizeState, &
constitutive_sizeDotState, &
constitutive_state, &
constitutive_state_backup, &
constitutive_subState0, &
constitutive_partionedState0, &
constitutive_homogenizedC, &
constitutive_dotState, &
dPdF calculations made consistent with constitutive_TandItsTangent
2012-03-21 20:30:36 +05:30
constitutive_dotState_backup, &
constitutive_TandItsTangent
constitutive_nonlocal: - corrected flux term - multiplication is now aware of dislocation type - corrected change rate for "dipole size" dupper - corrected term for dipole dissociation by stress change - added transmissivity term in fluxes which accounts for misorientation between two neighboring grains (yet hardcoded transmissivity according to misorientation angle) - added more output variables constitutive: - 2 additional variables "previousDotState" and "previousDotState2", which are used to store the previous and second previous dotState (used in crystallite for acceleration/stabilization of state integration) - timer for dotState now measures the time for calls to constitutive_ collectState (used to reside in crystallite_updateState, which is not critical in terms of calculation time anymore) crystallite: - convergence check for nonlocal elments is now done at end of crystallite loop, not at the beginning; we simple set all elements to not converged if there is at least one nonlocal element that did not converge - need call to microstructure before first call to collect dotState for dependent states - stiffness calculation (jacobian): if there are nonlocal elements, we also have to consider changes in our neighborhood's states; so for every perturbed component in a single ip, we have to loop over all elements; since this is extremely time-consuming, we just perturb one component per cycle, starting with the one that changes the most during regular time step. - updateState gets a damping prefactor for our dotState that helps to improve convergence; prefactor is calculated according to change of dotState IO: - additional warning message for unknown crystal symmetry
2009-12-15 13:50:31 +05:30
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
implicit none
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
logical, intent(in) :: updateJaco, rate_sensitivity ! flag indicating wehther we want to update the Jacobian (stiffness) or not
real(pReal) myPert, & ! perturbation with correct sign
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
formerSubStep, &
subFracIntermediate
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
real(pReal), dimension(3,3) :: invFp, & ! inverse of the plastic deformation gradient
Fe_guess, & ! guess for elastic deformation gradient
Tstar ! 2nd Piola-Kirchhoff stress tensor
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
real(pReal), dimension(3,3,3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
dPdF_perturbation1, &
dPdF_perturbation2
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
F_backup, &
Fp_backup, &
InvFp_backup, &
Fe_backup, &
Lp_backup, &
P_backup
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
real(pReal), dimension(6,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
Tstar_v_backup
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
real(pReal), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
Temperature_backup
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
integer(pInt) NiterationCrystallite, & ! number of iterations in crystallite loop
e, & ! element index
i, & ! integration point index
g, & ! grain index
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
k, &
l, &
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
n, &
neighboring_e, &
neighboring_i, &
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
o, &
p, &
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
perturbation , & ! loop counter for forward,backward perturbation mode
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
myNgrains
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
logical, dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
convergenceFlag_backup
crystallite.f90: can now calculate analytic jacobian by setting analyticJaco = 1 in numerics.config math.f90: added math_mul3333xx3333… numerics.f90: to read in analyticJaco and Lp_frac
2012-02-23 01:41:09 +05:30
! local variables used for calculating analytic Jacobian
simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for
2012-03-14 19:26:50 +05:30
real(pReal), dimension(3,3):: Fpinv_rate, &
dPdF calculations made consistent with constitutive_TandItsTangent
2012-03-21 20:30:36 +05:30
FDot_inv, &
junk
real(pReal), dimension(3,3,3,3) :: dSdFe, &
crystallite.f90: can now calculate analytic jacobian by setting analyticJaco = 1 in numerics.config math.f90: added math_mul3333xx3333… numerics.f90: to read in analyticJaco and Lp_frac
2012-02-23 01:41:09 +05:30
dFedF, &
simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for
2012-03-14 19:26:50 +05:30
dFedFdot, &
dSdF, &
dSdFdot, &
first calculation of Tstar still used hard coded Hooke, now usese constitutive_TandItsTangent(...)
2012-06-18 12:56:34 +05:30
dFp_invdFdot, &
junk2
simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for
2012-03-14 19:26:50 +05:30
real(pReal) :: counter
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
! --+>> INITIALIZE TO STARTING CONDITION <<+--
changed variable name "debug_what" to "debug_level"
2012-07-05 15:24:50 +05:30
if(iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt&
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
.and. debug_e > 0 .and. debug_e <= mesh_NcpElems &
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
.and. debug_i > 0 .and. debug_i <= mesh_maxNips &
.and. debug_g > 0 .and. debug_g <= homogenization_maxNgrains) then
!$OMP CRITICAL (write2out)
added doxygen comments, some polishing, added "protected" statements where applicable
2012-10-02 18:23:25 +05:30
write(6,*)
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> crystallite start at el ip g ', debug_e, debug_i, debug_g
write(6,'(a,/,12x,f14.9)') '<< CRYST >> Temp0', crystallite_partionedTemperature0(debug_g,debug_i,debug_e)
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> F0 ', &
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
math_transpose33(crystallite_partionedF0(1:3,1:3,debug_g,debug_i,debug_e))
added doxygen comments, some polishing, added "protected" statements where applicable
2012-10-02 18:23:25 +05:30
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> Fp0', &
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
math_transpose33(crystallite_partionedFp0(1:3,1:3,debug_g,debug_i,debug_e))
added doxygen comments, some polishing, added "protected" statements where applicable
2012-10-02 18:23:25 +05:30
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> Lp0', &
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
math_transpose33(crystallite_partionedLp0(1:3,1:3,debug_g,debug_i,debug_e))
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
!$OMP END CRITICAL (write2out)
endif
debugging output is now controlled by the "verbosity" parameter in the debug.config ranging from 0 (=almost no output) to 8 (=very detailed output) 0 : only version infos and all from "hypela2"/"umat" 1 : basic outputs from "CPFEM.f90", basic output from initialization routines, debug_info 2 : extensive outputs from "CPFEM.f90", extensive output from initialization routines 3 : basic outputs from "homogenization.f90" 4 : extensive outputs from "homogenization.f90" 5 : basic outputs from "crystallite.f90" 6 : extensive outputs from "crystallite.f90" 7 : basic outputs from the constitutive files 8 : extensive outputs from the constitutive files If verbosity is equal to zero, all counters in debug are not set during calculation (e.g. debug_StressLoopDistribution or debug_cumDotStateTicks). This might speed up parallel calculation, because all these need critical statements which extremely slow down parallel computation.
2011-03-21 16:01:17 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
crystallite_subStep = 0.0_pReal
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
myNgrains = homogenization_Ngrains(mesh_element(3,e))
forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), g = 1_pInt:myNgrains, crystallite_requested(g,i,e))
crystallite_subTemperature0(g,i,e) = crystallite_partionedTemperature0(g,i,e) ! ...temperature
constitutive_subState0(g,i,e)%p = constitutive_partionedState0(g,i,e)%p ! ...microstructure
crystallite_subFp0(1:3,1:3,g,i,e) = crystallite_partionedFp0(1:3,1:3,g,i,e) ! ...plastic def grad
crystallite_subLp0(1:3,1:3,g,i,e) = crystallite_partionedLp0(1:3,1:3,g,i,e) ! ...plastic velocity grad
crystallite_dPdF0(1:3,1:3,1:3,1:3,g,i,e) = crystallite_partioneddPdF0(1:3,1:3,1:3,1:3,g,i,e) ! ...stiffness
crystallite_subF0(1:3,1:3,g,i,e) = crystallite_partionedF0(1:3,1:3,g,i,e) ! ...def grad
crystallite_subTstar0_v(1:6,g,i,e) = crystallite_partionedTstar0_v(1:6,g,i,e) !...2nd PK stress
crystallite_subFe0(1:3,1:3,g,i,e) = math_mul33x33(crystallite_subF0(1:3,1:3,g,i,e), &
math_inv33(crystallite_subFp0(1:3,1:3,g,i,e))) ! only needed later on for stiffness calculation
crystallite_subFrac(g,i,e) = 0.0_pReal
crystallite_subStep(g,i,e) = 1.0_pReal/subStepSizeCryst
crystallite_todo(g,i,e) = .true.
crystallite_converged(g,i,e) = .false. ! pretend failed step of twice the required size
endforall
enddo
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
! --+>> CRYSTALLITE CUTBACK LOOP <<+--
homogenization_RGC.f90 >> just switching-off one of the debugging statement. crystallite.f90 >> optimizing the perturbation algorithm for local tangent.
2009-12-22 17:58:02 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
NiterationCrystallite = 0_pInt
* new global integer variable "numerics_integrationMode" (1 indicating integration of central solution, 2 indicating integration of perturbed state) * combined "integrator" and "integratorStiffness" in new global variable "numerics_integrator"
2011-02-23 13:59:51 +05:30
numerics_integrationMode = 1_pInt
criterion for crystallite cutback loop changed from crystallite_subStep to crystallite_todo; this avoids problems when the last substep of the crystallite increment is below subStepMinCryst (which is allowed during last wind forward) fixed bug in the adaptive Euler integrator and the RK4 integrator, which could not reach the stateJump function, because of erroneous check for converged flag; also corrected the state counter for the RK4 integrator
2012-11-09 01:30:29 +05:30
do while (any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2)))) ! cutback loop for crystallites
Tstar_v is now restored at different stages of cutbacking; we need this because preguess of state relies on consistent Tstar_v
2009-06-16 14:33:30 +05:30
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
if (any(.not. crystallite_localPlasticity) .and. numerics_timeSyncing) then
! Time synchronization can only be used for nonlocal calculations, and only there it makes sense.
! The idea is that in nonlocal calculations often the vast amjority of the ips
! converges in one iteration whereas a small fraction of ips has to do a lot of cutbacks.
! Hence, we try to minimize the computational effort by just doing a lot of cutbacks
! in the vicinity of the "bad" ips and leave the easily converged volume more or less as it is.
! However, some synchronization of the time step has to be done at the border between "bad" ips
! and the ones that immediately converged.
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,'(a,i6)') '<< CRYST >> crystallite iteration ',NiterationCrystallite
!$OMP END CRITICAL (write2out)
endif
if (any(crystallite_syncSubFrac)) then
! Just did a time synchronization.
fixed bug in timesyncing procedure: if any ip that synchronizes its time step did not converge, all nonlocals become terminally ill; before, this led to an infinite loop in crystallite
2012-12-11 19:12:22 +05:30
! If all synchrnizers converged, then do nothing else than winding them forward.
! If any of the cynchronizers did not converge, something went completely wrong
! and its not clear how to fix this, so all nonlocals become terminally ill.
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
fixed bug in timesyncing procedure: if any ip that synchronizes its time step did not converge, all nonlocals become terminally ill; before, this led to an infinite loop in crystallite
2012-12-11 19:12:22 +05:30
if (any(crystallite_syncSubFrac .and. .not. crystallite_converged(1,:,:))) then
more debugging info for timesyncing
2012-12-16 17:00:19 +05:30
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) then
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
if (crystallite_syncSubFrac(i,e) .and. .not. crystallite_converged(1,i,e)) then
!$OMP CRITICAL (write2out)
reset syncSubFrac flag when turning terminallyIll
2012-12-16 21:48:36 +05:30
write(6,'(a,i8,1x,i2)') '<< CRYST >> time synchronization: failed at el,ip ',e,i
more debugging info for timesyncing
2012-12-16 17:00:19 +05:30
!$OMP END CRITICAL (write2out)
endif
enddo
enddo
endif
reset syncSubFrac flag when turning terminallyIll
2012-12-16 21:48:36 +05:30
crystallite_syncSubFrac = .false.
fixed bug in timesyncing procedure: if any ip that synchronizes its time step did not converge, all nonlocals become terminally ill; before, this led to an infinite loop in crystallite
2012-12-11 19:12:22 +05:30
where(.not. crystallite_localPlasticity)
crystallite_substep = 0.0_pReal
crystallite_todo = .false.
endwhere
else
replaced some array assignments, which might have caused trouble when using the "timeSyncing" option, by parallelized loops of scalar value assignments
2013-02-27 22:06:12 +05:30
!$OMP PARALLEL DO PRIVATE(myNgrains)
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
crystallite_clearToWindForward(i,e) = crystallite_localPlasticity(1,i,e) .or. crystallite_syncSubFrac(i,e)
crystallite_clearToCutback(i,e) = crystallite_localPlasticity(1,i,e)
enddo
enddo
!$OMP END PARALLEL DO
fixed bug in timesyncing procedure: if any ip that synchronizes its time step did not converge, all nonlocals become terminally ill; before, this led to an infinite loop in crystallite
2012-12-11 19:12:22 +05:30
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,'(a,i6)') '<< CRYST >> time synchronization: wind forward'
!$OMP END CRITICAL (write2out)
endif
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
endif
elseif (any(crystallite_syncSubFracCompleted)) then
! Just completed a time synchronization.
! Make sure that the ips that synchronized their time step start non-converged
replaced some array assignments, which might have caused trouble when using the "timeSyncing" option, by parallelized loops of scalar value assignments
2013-02-27 22:06:12 +05:30
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
if (crystallite_syncSubFracCompleted(i,e)) crystallite_converged(1,i,e) = .false.
crystallite_syncSubFracCompleted(i,e) = .false.
crystallite_clearToWindForward(i,e) = crystallite_localPlasticity(1,i,e)
crystallite_clearToCutback(i,e) = crystallite_localPlasticity(1,i,e) .or. .not. crystallite_converged(1,i,e)
enddo
enddo
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,'(a,i6)') '<< CRYST >> time synchronization: done, proceed with cutback'
!$OMP END CRITICAL (write2out)
endif
else
! Normal calculation.
! If all converged and are at the end of the time increment, then just do a final wind forward.
! If all converged, but not all reached the end of the time increment, then we only wind
! those forward that are still on their way, all others have to wait.
! If some did not converge and all are still at the start of the time increment,
! then all non-convergers force their converged neighbors to also do a cutback.
! In case that some ips have already wound forward to an intermediate time (subfrac),
! then all those ips that converged in the first iteration, but now have a non-converged neighbor
! have to synchronize their time step to the same intermediate time. If such a synchronization
! takes place, all other ips have to wait and only the synchronizers do a cutback. In the next
! iteration those will do a wind forward while all others still wait.
replaced some array assignments, which might have caused trouble when using the "timeSyncing" option, by parallelized loops of scalar value assignments
2013-02-27 22:06:12 +05:30
!$OMP PARALLEL DO PRIVATE(myNgrains)
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
crystallite_clearToWindForward(i,e) = crystallite_localPlasticity(1,i,e)
crystallite_clearToCutback(i,e) = crystallite_localPlasticity(1,i,e)
enddo
enddo
!$OMP END PARALLEL DO
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
if (all(crystallite_localPlasticity .or. crystallite_converged)) then
if (all(crystallite_localPlasticity .or. crystallite_subStep + crystallite_subFrac >= 1.0_pReal)) then
crystallite_clearToWindForward = .true. ! final wind forward
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,'(a,i6)') '<< CRYST >> final wind forward'
!$OMP END CRITICAL (write2out)
endif
else
replaced some array assignments, which might have caused trouble when using the "timeSyncing" option, by parallelized loops of scalar value assignments
2013-02-27 22:06:12 +05:30
!$OMP PARALLEL DO PRIVATE(myNgrains)
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
crystallite_clearToWindForward(i,e) = crystallite_localPlasticity(1,i,e) .or. crystallite_subStep(1,i,e) < 1.0_pReal
enddo
enddo
!$OMP END PARALLEL DO
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,'(a,i6)') '<< CRYST >> wind forward'
!$OMP END CRITICAL (write2out)
endif
endif
else
subFracIntermediate = maxval(crystallite_subFrac, mask=.not.crystallite_localPlasticity)
if (subFracIntermediate == 0.0_pReal) then
crystallite_neighborEnforcedCutback = .false. ! look for ips that require a cutback because of a nonconverged neighbor
replaced some array assignments, which might have caused trouble when using the "timeSyncing" option, by parallelized loops of scalar value assignments
2013-02-27 22:06:12 +05:30
!$OMP PARALLEL
!$OMP DO PRIVATE(neighboring_e,neighboring_i)
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
do e = FEsolving_execElem(1),FEsolving_execElem(2)
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
if (.not. crystallite_localPlasticity(1,i,e) .and. crystallite_converged(1,i,e)) then
fixed 2 bugs: missing mapping with FE_geomtype(mesh_element(2,...))
2012-12-10 22:33:28 +05:30
do n = 1_pInt,FE_NipNeighbors(FE_geomtype(mesh_element(2,e)))
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
neighboring_e = mesh_ipNeighborhood(1,n,i,e)
neighboring_i = mesh_ipNeighborhood(2,n,i,e)
if (neighboring_e > 0_pInt .and. neighboring_i > 0_pInt) then
if (.not. crystallite_localPlasticity(1,neighboring_i,neighboring_e) &
.and. .not. crystallite_converged(1,neighboring_i,neighboring_e)) then
crystallite_neighborEnforcedCutback(i,e) = .true.
#ifndef _OPENMP
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) &
write(6,'(a12,i5,1x,i2,a,i5,1x,i2)') '<< CRYST >> ', neighboring_e,neighboring_i, &
' enforced cutback at ',e,i
#endif
added shortcuts for two do loops in the "timesyncing" procedure math_pDecomposition enclosed by omp critical statement; somehow, this subroutine is not thread safe, not clear what exactly the problem is
2013-02-27 16:02:37 +05:30
exit
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
endif
endif
enddo
endif
enddo
enddo
replaced some array assignments, which might have caused trouble when using the "timeSyncing" option, by parallelized loops of scalar value assignments
2013-02-27 22:06:12 +05:30
!$OMP END DO
!$OMP DO PRIVATE(myNgrains)
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
if(crystallite_neighborEnforcedCutback(i,e)) crystallite_converged(1,i,e) = .false.
enddo
enddo
!$OMP END DO
!$OMP END PARALLEL
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
else
crystallite_syncSubFrac = .false. ! look for ips that have to do a time synchronization because of a nonconverged neighbor
replaced some array assignments, which might have caused trouble when using the "timeSyncing" option, by parallelized loops of scalar value assignments
2013-02-27 22:06:12 +05:30
!$OMP PARALLEL
!$OMP DO PRIVATE(neighboring_e,neighboring_i)
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
do e = FEsolving_execElem(1),FEsolving_execElem(2)
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
if (.not. crystallite_localPlasticity(1,i,e) .and. crystallite_subFrac(1,i,e) == 0.0_pReal) then
fixed 2 bugs: missing mapping with FE_geomtype(mesh_element(2,...))
2012-12-10 22:33:28 +05:30
do n = 1_pInt,FE_NipNeighbors(FE_geomtype(mesh_element(2,e)))
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
neighboring_e = mesh_ipNeighborhood(1,n,i,e)
neighboring_i = mesh_ipNeighborhood(2,n,i,e)
if (neighboring_e > 0_pInt .and. neighboring_i > 0_pInt) then
if (.not. crystallite_localPlasticity(1,neighboring_i,neighboring_e) &
.and. .not. crystallite_converged(1,neighboring_i,neighboring_e)) then
crystallite_syncSubFrac(i,e) = .true.
#ifndef _OPENMP
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) &
write(6,'(a12,i5,1x,i2,a,i5,1x,i2)') '<< CRYST >> ',neighboring_e,neighboring_i, &
' enforced time synchronization at ',e,i
#endif
added shortcuts for two do loops in the "timesyncing" procedure math_pDecomposition enclosed by omp critical statement; somehow, this subroutine is not thread safe, not clear what exactly the problem is
2013-02-27 16:02:37 +05:30
exit
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
endif
endif
enddo
endif
enddo
enddo
replaced some array assignments, which might have caused trouble when using the "timeSyncing" option, by parallelized loops of scalar value assignments
2013-02-27 22:06:12 +05:30
!$OMP END DO
!$OMP DO PRIVATE(myNgrains)
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
if(crystallite_syncSubFrac(i,e)) crystallite_converged(1,i,e) = .false.
enddo
enddo
!$OMP END DO
!$OMP END PARALLEL
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
endif
where(.not. crystallite_localPlasticity .and. crystallite_subStep < 1.0_pReal) &
crystallite_converged = .false.
if (any(crystallite_syncSubFrac)) then ! have to do syncing now, so all wait except for the synchronizers which do a cutback
replaced some array assignments, which might have caused trouble when using the "timeSyncing" option, by parallelized loops of scalar value assignments
2013-02-27 22:06:12 +05:30
!$OMP PARALLEL DO PRIVATE(myNgrains)
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
crystallite_clearToWindForward(i,e) = crystallite_localPlasticity(1,i,e)
crystallite_clearToCutback(i,e) = crystallite_localPlasticity(1,i,e) .or. crystallite_syncSubFrac(i,e)
enddo
enddo
!$OMP END PARALLEL DO
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,'(a,i6)') '<< CRYST >> time synchronization: cutback'
!$OMP END CRITICAL (write2out)
endif
else
replaced some array assignments, which might have caused trouble when using the "timeSyncing" option, by parallelized loops of scalar value assignments
2013-02-27 22:06:12 +05:30
!$OMP PARALLEL DO PRIVATE(myNgrains)
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
if(.not. crystallite_converged(1,i,e)) crystallite_clearToCutback(i,e) = .true.
enddo
enddo
!$OMP END PARALLEL DO
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,'(a,i6)') '<< CRYST >> cutback'
!$OMP END CRITICAL (write2out)
endif
endif
endif
endif
! Make sure that all cutbackers start with the same substep
where(.not. crystallite_localPlasticity .and. .not. crystallite_converged) &
crystallite_subStep = minval(crystallite_subStep, mask=.not. crystallite_localPlasticity &
.and. .not. crystallite_converged)
! Those that do neither wind forward nor cutback are not to do
replaced some array assignments, which might have caused trouble when using the "timeSyncing" option, by parallelized loops of scalar value assignments
2013-02-27 22:06:12 +05:30
!$OMP PARALLEL DO PRIVATE(myNgrains)
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
if(.not. crystallite_clearToWindForward(i,e) .and. .not. crystallite_clearToCutback(i,e)) &
crystallite_todo(1,i,e) = .false.
enddo
enddo
!$OMP END PARALLEL DO
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
endif
!$OMP PARALLEL DO PRIVATE(myNgrains,formerSubStep)
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
do g = 1,myNgrains
! --- wind forward ---
if (crystallite_converged(g,i,e) .and. crystallite_clearToWindForward(i,e)) then
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
formerSubStep = crystallite_subStep(g,i,e)
stressAndItsTangent: when winding forward to last substep in increment, also do the calculation if this substep is below "subStepMinCryst"; output of "wind forward" and "cutback" info only for crystallites that are still "todo" integrateStress: maximum component in Lp determines absolute convergence criterium: aTol = max(maxLpComp * rTol_fromConfig , aTol_fromConfig) this ensures that small values in Lp do not spoil the convergence, similar to the effect of the relevantStrain parameter before (not needed anymore in the stress integration)
2012-08-14 17:37:59 +05:30
crystallite_subFrac(g,i,e) = crystallite_subFrac(g,i,e) + crystallite_subStep(g,i,e)
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
!$OMP FLUSH(crystallite_subFrac)
crystallite_subStep(g,i,e) = min(1.0_pReal - crystallite_subFrac(g,i,e), &
stepIncreaseCryst * crystallite_subStep(g,i,e))
!$OMP FLUSH(crystallite_subStep)
if (crystallite_subStep(g,i,e) > 0.0_pReal) then
crystallite_subTemperature0(g,i,e) = crystallite_Temperature(g,i,e) ! wind forward...
crystallite_subF0(1:3,1:3,g,i,e) = crystallite_subF(1:3,1:3,g,i,e) ! ...def grad
!$OMP FLUSH(crystallite_subF0)
crystallite_subFp0(1:3,1:3,g,i,e) = crystallite_Fp(1:3,1:3,g,i,e) ! ...plastic def grad
crystallite_subFe0(1:3,1:3,g,i,e) = math_mul33x33(crystallite_subF(1:3,1:3,g,i,e), crystallite_invFp(1:3,1:3,g,i,e)) ! only needed later on for stiffness calculation
crystallite_subLp0(1:3,1:3,g,i,e) = crystallite_Lp(1:3,1:3,g,i,e) ! ...plastic velocity gradient
constitutive_subState0(g,i,e)%p = constitutive_state(g,i,e)%p ! ...microstructure
crystallite_subTstar0_v(1:6,g,i,e) = crystallite_Tstar_v(1:6,g,i,e) ! ...2nd PK stress
if (crystallite_syncSubFrac(i,e)) then ! if we just did a synchronization of states, then we wind forward without any further time integration
crystallite_syncSubFracCompleted(i,e) = .true.
crystallite_syncSubFrac(i,e) = .false.
crystallite_todo(g,i,e) = .false.
else
crystallite_todo(g,i,e) = .true.
endif
!$OMP FLUSH(crystallite_todo)
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
#ifndef _OPENMP
polished debugging output
2012-12-03 21:59:54 +05:30
if (iand(debug_level(debug_crystallite),debug_levelBasic) /= 0_pInt &
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
write(6,'(a,f12.8,a,f12.8,a,i8,1x,i2,1x,i3)') '<< CRYST >> winding forward from ', &
crystallite_subFrac(g,i,e)-formerSubStep,' to current crystallite_subfrac ', &
crystallite_subFrac(g,i,e),' in crystallite_stressAndItsTangent at el ip g ',e,i,g
write(6,*)
endif
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
#endif
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
elseif (formerSubStep > 0.0_pReal) then ! this crystallite just converged for the entire timestep
crystallite_todo(g,i,e) = .false. ! so done here
!$OMP FLUSH(crystallite_todo)
if (iand(debug_level(debug_crystallite),debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (distributionCrystallite)
debug_CrystalliteLoopDistribution(min(nCryst+1_pInt,NiterationCrystallite)) = &
debug_CrystalliteLoopDistribution(min(nCryst+1_pInt,NiterationCrystallite)) + 1_pInt
!$OMP END CRITICAL (distributionCrystallite)
endif
polishing
2012-11-22 15:28:36 +05:30
endif
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
! --- cutback ---
elseif (.not. crystallite_converged(g,i,e) .and. crystallite_clearToCutback(i,e)) then
if (crystallite_syncSubFrac(i,e)) then ! synchronize time
crystallite_subStep(g,i,e) = subFracIntermediate
else
crystallite_subStep(g,i,e) = subStepSizeCryst * crystallite_subStep(g,i,e) ! cut step in half and restore...
endif
!$OMP FLUSH(crystallite_subStep)
crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) ! ...temperature
crystallite_Fp(1:3,1:3,g,i,e) = crystallite_subFp0(1:3,1:3,g,i,e) ! ...plastic def grad
!$OMP FLUSH(crystallite_Fp)
polishing
2012-11-22 15:28:36 +05:30
crystallite_invFp(1:3,1:3,g,i,e) = math_inv33(crystallite_Fp(1:3,1:3,g,i,e))
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
!$OMP FLUSH(crystallite_invFp)
polishing
2012-11-22 15:28:36 +05:30
crystallite_Lp(1:3,1:3,g,i,e) = crystallite_subLp0(1:3,1:3,g,i,e) ! ...plastic velocity grad
constitutive_state(g,i,e)%p = constitutive_subState0(g,i,e)%p ! ...microstructure
crystallite_Tstar_v(1:6,g,i,e) = crystallite_subTstar0_v(1:6,g,i,e) ! ...2nd PK stress
! cant restore dotState here, since not yet calculated in first cutback after initialization
crystallite_todo(g,i,e) = crystallite_subStep(g,i,e) > subStepMinCryst ! still on track or already done (beyond repair)
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
!$OMP FLUSH(crystallite_todo)
polishing
2012-11-22 15:28:36 +05:30
#ifndef _OPENMP
polished debugging output
2012-12-03 21:59:54 +05:30
if(iand(debug_level(debug_crystallite),debug_levelBasic) /= 0_pInt &
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
if (crystallite_todo(g,i,e)) then
write(6,'(a,f12.8,a,i8,1x,i2,1x,i3)') '<< CRYST >> cutback step in crystallite_stressAndItsTangent &
&with new crystallite_subStep: ',&
crystallite_subStep(g,i,e),' at el ip g ',e,i,g
else
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> reached minimum step size &
&in crystallite_stressAndItsTangent at el ip g ',e,i,g
endif
write(6,*)
endif
polishing
2012-11-22 15:28:36 +05:30
#endif
polished debugging output
2012-12-03 21:59:54 +05:30
endif
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
polished debugging output
2012-12-03 21:59:54 +05:30
! --- prepare for integration ---
if (crystallite_todo(g,i,e) .and. (crystallite_clearToWindForward(i,e) .or. crystallite_clearToCutback(i,e))) then
crystallite_subF(1:3,1:3,g,i,e) = crystallite_subF0(1:3,1:3,g,i,e) &
+ crystallite_subStep(g,i,e) &
* (crystallite_partionedF(1:3,1:3,g,i,e) - crystallite_partionedF0(1:3,1:3,g,i,e))
!$OMP FLUSH(crystallite_subF)
crystallite_Fe(1:3,1:3,g,i,e) = math_mul33x33(crystallite_subF(1:3,1:3,g,i,e), crystallite_invFp(1:3,1:3,g,i,e))
crystallite_subdt(g,i,e) = crystallite_subStep(g,i,e) * crystallite_dt(g,i,e)
crystallite_converged(g,i,e) = .false. ! start out non-converged
endif
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
polished debugging output
2012-12-03 21:59:54 +05:30
enddo ! grains
enddo ! IPs
enddo ! elements
!$OMP END PARALLEL DO
homogenization_RGC.f90 >> just switching-off one of the debugging statement. crystallite.f90 >> optimizing the perturbation algorithm for local tangent.
2009-12-22 17:58:02 +05:30
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
if(numerics_timeSyncing) then
if (any(.not. crystallite_localPlasticity .and. .not. crystallite_todo .and. .not. crystallite_converged &
.and. crystallite_subStep <= subStepMinCryst)) then ! no way of rescuing a nonlocal ip that violated the lower time step limit, ...
once again corrected parallelization statements added some debugging writes for timesyncing
2012-12-16 16:24:13 +05:30
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) then
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do g = 1,myNgrains
if (.not. crystallite_localPlasticity(g,i,e) .and. .not. crystallite_todo(g,i,e) &
.and. .not. crystallite_converged(g,i,e) .and. crystallite_subStep(g,i,e) <= subStepMinCryst) then
!$OMP CRITICAL (write2out)
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> nonlocal violated minimum subStep at el,ip,g ',e,i,g
!$OMP END CRITICAL (write2out)
endif
enddo
enddo
enddo
endif
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
where(.not. crystallite_localPlasticity)
crystallite_todo = .false. ! ... so let all nonlocal ips die peacefully
crystallite_subStep = 0.0_pReal
endwhere
endif
endif
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,*)
write(6,'(a,e12.5)') '<< CRYST >> min(subStep) ',minval(crystallite_subStep)
write(6,'(a,e12.5)') '<< CRYST >> max(subStep) ',maxval(crystallite_subStep)
write(6,'(a,e12.5)') '<< CRYST >> min(subFrac) ',minval(crystallite_subFrac)
write(6,'(a,e12.5)') '<< CRYST >> max(subFrac) ',maxval(crystallite_subFrac)
write(6,*)
!$OMP END CRITICAL (write2out)
endif
Stress integration now uses Armijo rule to find an appropriate correction of Lp: decreases step in case that residuum does not improve significantly, accelerates as usual in case of good convergence. This turned out to improve convergence behavior.
2011-08-02 16:59:08 +05:30
! --- integrate --- requires fully defined state array (basic + dependent state)
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
if (any(crystallite_todo)) then
* new global integer variable "numerics_integrationMode" (1 indicating integration of central solution, 2 indicating integration of perturbed state) * combined "integrator" and "integratorStiffness" in new global variable "numerics_integrator"
2011-02-23 13:59:51 +05:30
select case(numerics_integrator(numerics_integrationMode))
polishing, adding _pInt etc. where applicable post_results now handels zero increment different (like FEM, it is always there even if it is not counted)
2012-02-13 19:48:07 +05:30
case(1_pInt)
* new global integer variable "numerics_integrationMode" (1 indicating integration of central solution, 2 indicating integration of perturbed state) * combined "integrator" and "integratorStiffness" in new global variable "numerics_integrator"
2011-02-23 13:59:51 +05:30
call crystallite_integrateStateFPI()
polishing, adding _pInt etc. where applicable post_results now handels zero increment different (like FEM, it is always there even if it is not counted)
2012-02-13 19:48:07 +05:30
case(2_pInt)
* new global integer variable "numerics_integrationMode" (1 indicating integration of central solution, 2 indicating integration of perturbed state) * combined "integrator" and "integratorStiffness" in new global variable "numerics_integrator"
2011-02-23 13:59:51 +05:30
call crystallite_integrateStateEuler()
polishing, adding _pInt etc. where applicable post_results now handels zero increment different (like FEM, it is always there even if it is not counted)
2012-02-13 19:48:07 +05:30
case(3_pInt)
* new global integer variable "numerics_integrationMode" (1 indicating integration of central solution, 2 indicating integration of perturbed state) * combined "integrator" and "integratorStiffness" in new global variable "numerics_integrator"
2011-02-23 13:59:51 +05:30
call crystallite_integrateStateAdaptiveEuler()
polishing, adding _pInt etc. where applicable post_results now handels zero increment different (like FEM, it is always there even if it is not counted)
2012-02-13 19:48:07 +05:30
case(4_pInt)
* new global integer variable "numerics_integrationMode" (1 indicating integration of central solution, 2 indicating integration of perturbed state) * combined "integrator" and "integratorStiffness" in new global variable "numerics_integrator"
2011-02-23 13:59:51 +05:30
call crystallite_integrateStateRK4()
polishing, adding _pInt etc. where applicable post_results now handels zero increment different (like FEM, it is always there even if it is not counted)
2012-02-13 19:48:07 +05:30
case(5_pInt)
* new global integer variable "numerics_integrationMode" (1 indicating integration of central solution, 2 indicating integration of perturbed state) * combined "integrator" and "integratorStiffness" in new global variable "numerics_integrator"
2011-02-23 13:59:51 +05:30
call crystallite_integrateStateRKCK45()
polishing
2012-11-22 15:28:36 +05:30
end select
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
endif
constitutive_nonlocal.f90 - completed postResults output function - connecting vector of neighboring material points is mapped to intermediate configuration of my neighbor crystallite.f90 - zero out dotState only when crystallite is non-finished - set nonfinished flag to false if crystallite is not on Track after state update - in updateState: set onTrack flag to false if encounter NaN - removed some old debugging outputs and added others homogenization.f90 - in debugging mode now telling when a cutback happens
2009-08-24 13:46:01 +05:30
polishing
2012-11-22 15:28:36 +05:30
where(.not. crystallite_converged .and. crystallite_subStep > subStepMinCryst) & ! do not try non-converged & fully cutbacked any further
breaking crystallite loop in case of terminally ill (this functionality was probably lost since rev1886)
2012-11-19 14:09:48 +05:30
crystallite_todo = .true.
criterion for crystallite cutback loop changed from crystallite_subStep to crystallite_todo; this avoids problems when the last substep of the crystallite increment is below subStepMinCryst (which is allowed during last wind forward) fixed bug in the adaptive Euler integrator and the RK4 integrator, which could not reach the stateJump function, because of erroneous check for converged flag; also corrected the state counter for the RK4 integrator
2012-11-09 01:30:29 +05:30
polishing, adding _pInt etc. where applicable post_results now handels zero increment different (like FEM, it is always there even if it is not counted)
2012-02-13 19:48:07 +05:30
NiterationCrystallite = NiterationCrystallite + 1_pInt
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
polishing
2012-11-22 15:28:36 +05:30
enddo ! cutback loop
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
! --+>> CHECK FOR NON-CONVERGED CRYSTALLITES <<+--
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
do g = 1,myNgrains
if (.not. crystallite_converged(g,i,e)) then ! respond fully elastically (might be not required due to becoming terminally ill anyway)
if(iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (write2out)
polishing
2012-11-22 15:28:36 +05:30
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> no convergence: respond fully elastic at el ip g ',e,i,g
added doxygen comments, some polishing, added "protected" statements where applicable
2012-10-02 18:23:25 +05:30
write(6,*)
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
!$OMP END CRITICAL (write2out)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
endif
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
invFp = math_inv33(crystallite_partionedFp0(1:3,1:3,g,i,e))
Fe_guess = math_mul33x33(crystallite_partionedF(1:3,1:3,g,i,e), invFp)
call constitutive_TandItsTangent(Tstar, junk2, Fe_guess,g,i,e)
crystallite_P(1:3,1:3,g,i,e) = math_mul33x33(Fe_guess,math_mul33x33(Tstar,transpose(invFp)))
endif
if(iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt &
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
.or. .not. iand(debug_level(debug_crystallite),debug_levelSelective) /= 0_pInt)) then
!$OMP CRITICAL (write2out)
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> central solution of cryst_StressAndTangent at el ip g ',e,i,g
write(6,*)
write(6,'(a,/,3(12x,3(f12.4,1x)/))') '<< CRYST >> P / MPa', math_transpose33(crystallite_P(1:3,1:3,g,i,e))/1.0e6_pReal
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> Fp', math_transpose33(crystallite_Fp(1:3,1:3,g,i,e))
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> Lp', math_transpose33(crystallite_Lp(1:3,1:3,g,i,e))
write(6,*)
!$OMP END CRITICAL (write2out)
endif
Tstar_v is now restored at different stages of cutbacking; we need this because preguess of state relies on consistent Tstar_v
2009-06-16 14:33:30 +05:30
enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
enddo
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
Tstar_v is now restored at different stages of cutbacking; we need this because preguess of state relies on consistent Tstar_v
2009-06-16 14:33:30 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
! --+>> STIFFNESS CALCULATION <<+--
Tstar_v is now restored at different stages of cutbacking; we need this because preguess of state relies on consistent Tstar_v
2009-06-16 14:33:30 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
if(updateJaco) then ! Jacobian required
crystallite.f90: can now calculate analytic jacobian by setting analyticJaco = 1 in numerics.config math.f90: added math_mul3333xx3333… numerics.f90: to read in analyticJaco and Lp_frac
2012-02-23 01:41:09 +05:30
if (.not. analyticJaco) then ! Calculate Jacobian using perturbations
* new global integer variable "numerics_integrationMode" (1 indicating integration of central solution, 2 indicating integration of perturbed state) * combined "integrator" and "integratorStiffness" in new global variable "numerics_integrator"
2011-02-23 13:59:51 +05:30
numerics_integrationMode = 2_pInt
constitutive_nonlocal: - corrected flux term - multiplication is now aware of dislocation type - corrected change rate for "dipole size" dupper - corrected term for dipole dissociation by stress change - added transmissivity term in fluxes which accounts for misorientation between two neighboring grains (yet hardcoded transmissivity according to misorientation angle) - added more output variables constitutive: - 2 additional variables "previousDotState" and "previousDotState2", which are used to store the previous and second previous dotState (used in crystallite for acceleration/stabilization of state integration) - timer for dotState now measures the time for calls to constitutive_ collectState (used to reside in crystallite_updateState, which is not critical in terms of calculation time anymore) crystallite: - convergence check for nonlocal elments is now done at end of crystallite loop, not at the beginning; we simple set all elements to not converged if there is at least one nonlocal element that did not converge - need call to microstructure before first call to collect dotState for dependent states - stiffness calculation (jacobian): if there are nonlocal elements, we also have to consider changes in our neighborhood's states; so for every perturbed component in a single ip, we have to loop over all elements; since this is extremely time-consuming, we just perturb one component per cycle, starting with the one that changes the most during regular time step. - updateState gets a damping prefactor for our dotState that helps to improve convergence; prefactor is calculated according to change of dotState IO: - additional warning message for unknown crystal symmetry
2009-12-15 13:50:31 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
! --- BACKUP ---
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
myNgrains = homogenization_Ngrains(mesh_element(3,e))
forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), g = 1:myNgrains)
constitutive_state_backup(g,i,e)%p(1:constitutive_sizeState(g,i,e)) = &
constitutive_state(g,i,e)%p(1:constitutive_sizeState(g,i,e)) ! remember unperturbed, converged state, ...
constitutive_dotState_backup(g,i,e)%p(1:constitutive_sizeDotState(g,i,e)) = &
constitutive_dotState(g,i,e)%p(1:constitutive_sizeDotState(g,i,e)) ! ... dotStates, ...
endforall
enddo
polishing
2012-11-22 15:28:36 +05:30
Temperature_backup = crystallite_Temperature ! ... Temperature, ...
F_backup = crystallite_subF ! ... and kinematics
Fp_backup = crystallite_Fp
InvFp_backup = crystallite_invFp
Fe_backup = crystallite_Fe
Lp_backup = crystallite_Lp
Tstar_v_backup = crystallite_Tstar_v
P_backup = crystallite_P
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
convergenceFlag_backup = crystallite_converged
constitutive_nonlocal: - corrected flux term - multiplication is now aware of dislocation type - corrected change rate for "dipole size" dupper - corrected term for dipole dissociation by stress change - added transmissivity term in fluxes which accounts for misorientation between two neighboring grains (yet hardcoded transmissivity according to misorientation angle) - added more output variables constitutive: - 2 additional variables "previousDotState" and "previousDotState2", which are used to store the previous and second previous dotState (used in crystallite for acceleration/stabilization of state integration) - timer for dotState now measures the time for calls to constitutive_ collectState (used to reside in crystallite_updateState, which is not critical in terms of calculation time anymore) crystallite: - convergence check for nonlocal elments is now done at end of crystallite loop, not at the beginning; we simple set all elements to not converged if there is at least one nonlocal element that did not converge - need call to microstructure before first call to collect dotState for dependent states - stiffness calculation (jacobian): if there are nonlocal elements, we also have to consider changes in our neighborhood's states; so for every perturbed component in a single ip, we have to loop over all elements; since this is extremely time-consuming, we just perturb one component per cycle, starting with the one that changes the most during regular time step. - updateState gets a damping prefactor for our dotState that helps to improve convergence; prefactor is calculated according to change of dotState IO: - additional warning message for unknown crystal symmetry
2009-12-15 13:50:31 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
! --- CALCULATE STATE AND STRESS FOR PERTURBATION ---
doxygen comments
2013-02-22 04:38:36 +05:30
dPdF_perturbation1 = crystallite_dPdF0 ! initialize stiffness with known good values from last increment
dPdF_perturbation2 = crystallite_dPdF0 ! initialize stiffness with known good values from last increment
do perturbation = 1,2 ! forward and backward perturbation
if (iand(pert_method,perturbation) > 0_pInt) then ! mask for desired direction
myPert = -pert_Fg * (-1.0_pReal)**perturbation ! set perturbation step
do k = 1,3; do l = 1,3 ! ...alter individual components
changed variable name "debug_what" to "debug_level"
2012-07-05 15:24:50 +05:30
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) then
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP CRITICAL (write2out)
some f2008 standard related correction i didn't check in last time
2012-02-02 01:50:05 +05:30
write(6,'(a,2(1x,i1),1x,a)') '<< CRYST >> [[[[[[ Stiffness perturbation',k,l,']]]]]]'
debugging output is now controlled by the "verbosity" parameter in the debug.config ranging from 0 (=almost no output) to 8 (=very detailed output) 0 : only version infos and all from "hypela2"/"umat" 1 : basic outputs from "CPFEM.f90", basic output from initialization routines, debug_info 2 : extensive outputs from "CPFEM.f90", extensive output from initialization routines 3 : basic outputs from "homogenization.f90" 4 : extensive outputs from "homogenization.f90" 5 : basic outputs from "crystallite.f90" 6 : extensive outputs from "crystallite.f90" 7 : basic outputs from the constitutive files 8 : extensive outputs from the constitutive files If verbosity is equal to zero, all counters in debug are not set during calculation (e.g. debug_StressLoopDistribution or debug_cumDotStateTicks). This might speed up parallel calculation, because all these need critical statements which extremely slow down parallel computation.
2011-03-21 16:01:17 +05:30
write(6,*)
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
!$OMP END CRITICAL (write2out)
endif
Depending on which state integrator one uses for the stiffness calculation, the initial state has to be chosen accordingly: e.g. for FPI choose last converged state, but for explicit RK choose converged state from start of increment (in case of explicit euler no state integration at all, but only stress integration). For this purpose we also need to remember "Fe" which now follows the cutbacking procedure as it is used for "Fp".
2011-11-04 18:14:50 +05:30
! --- INITIALIZE UNPERTURBED STATE ---
select case(numerics_integrator(numerics_integrationMode))
polishing, adding _pInt etc. where applicable post_results now handels zero increment different (like FEM, it is always there even if it is not counted)
2012-02-13 19:48:07 +05:30
case(1_pInt) ! Fix-point method: restore to last converged state at end of subinc, since this is probably closest to perturbed state
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), g = 1:myNgrains)
constitutive_state(g,i,e)%p(1:constitutive_sizeState(g,i,e)) = &
constitutive_state_backup(g,i,e)%p(1:constitutive_sizeState(g,i,e))
constitutive_dotState(g,i,e)%p(1:constitutive_sizeDotState(g,i,e)) = &
constitutive_dotState_backup(g,i,e)%p(1:constitutive_sizeDotState(g,i,e))
endforall
enddo
Depending on which state integrator one uses for the stiffness calculation, the initial state has to be chosen accordingly: e.g. for FPI choose last converged state, but for explicit RK choose converged state from start of increment (in case of explicit euler no state integration at all, but only stress integration). For this purpose we also need to remember "Fe" which now follows the cutbacking procedure as it is used for "Fp".
2011-11-04 18:14:50 +05:30
crystallite_Temperature = Temperature_backup
polishing
2012-11-22 15:28:36 +05:30
crystallite_Fp = Fp_backup
crystallite_invFp = InvFp_backup
crystallite_Fe = Fe_backup
crystallite_Lp = Lp_backup
crystallite_Tstar_v = Tstar_v_backup
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
case(2_pInt,3_pInt) ! explicit Euler methods: nothing to restore (except for F), since we are only doing a stress integration step
case(4_pInt,5_pInt) ! explicit Runge-Kutta methods: restore to start of subinc, since we are doing a full integration of state and stress
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), g = 1:myNgrains)
constitutive_state(g,i,e)%p(1:constitutive_sizeState(g,i,e)) = &
constitutive_subState0(g,i,e)%p(1:constitutive_sizeState(g,i,e))
constitutive_dotState(g,i,e)%p(1:constitutive_sizeDotState(g,i,e)) = &
constitutive_dotState_backup(g,i,e)%p(1:constitutive_sizeDotState(g,i,e))
endforall
enddo
Depending on which state integrator one uses for the stiffness calculation, the initial state has to be chosen accordingly: e.g. for FPI choose last converged state, but for explicit RK choose converged state from start of increment (in case of explicit euler no state integration at all, but only stress integration). For this purpose we also need to remember "Fe" which now follows the cutbacking procedure as it is used for "Fp".
2011-11-04 18:14:50 +05:30
crystallite_Temperature = crystallite_subTemperature0
polishing
2012-11-22 15:28:36 +05:30
crystallite_Fp = crystallite_subFp0
crystallite_Fe = crystallite_subFe0
order of integration now same for all state integrators: first calculate the dotState and then the deltaState
2012-11-22 18:34:19 +05:30
crystallite_Lp = crystallite_subLp0
polishing
2012-11-22 15:28:36 +05:30
crystallite_Tstar_v = crystallite_subTstar0_v
Depending on which state integrator one uses for the stiffness calculation, the initial state has to be chosen accordingly: e.g. for FPI choose last converged state, but for explicit RK choose converged state from start of increment (in case of explicit euler no state integration at all, but only stress integration). For this purpose we also need to remember "Fe" which now follows the cutbacking procedure as it is used for "Fp".
2011-11-04 18:14:50 +05:30
end select
! --- PERTURB EITHER FORWARD OR BACKWARD ---
crystallite_subF = F_backup
crystallite_subF(k,l,:,:,:) = crystallite_subF(k,l,:,:,:) + myPert
crystallite_converged = convergenceFlag_backup
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
crystallite_todo = crystallite_requested .and. crystallite_converged
doxygen comments
2013-02-22 04:38:36 +05:30
where (crystallite_todo) crystallite_converged = .false. ! start out non-converged
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
* new global integer variable "numerics_integrationMode" (1 indicating integration of central solution, 2 indicating integration of perturbed state) * combined "integrator" and "integratorStiffness" in new global variable "numerics_integrator"
2011-02-23 13:59:51 +05:30
select case(numerics_integrator(numerics_integrationMode))
polishing, adding _pInt etc. where applicable post_results now handels zero increment different (like FEM, it is always there even if it is not counted)
2012-02-13 19:48:07 +05:30
case(1_pInt)
* new global integer variable "numerics_integrationMode" (1 indicating integration of central solution, 2 indicating integration of perturbed state) * combined "integrator" and "integratorStiffness" in new global variable "numerics_integrator"
2011-02-23 13:59:51 +05:30
call crystallite_integrateStateFPI()
polishing, adding _pInt etc. where applicable post_results now handels zero increment different (like FEM, it is always there even if it is not counted)
2012-02-13 19:48:07 +05:30
case(2_pInt)
* new global integer variable "numerics_integrationMode" (1 indicating integration of central solution, 2 indicating integration of perturbed state) * combined "integrator" and "integratorStiffness" in new global variable "numerics_integrator"
2011-02-23 13:59:51 +05:30
call crystallite_integrateStateEuler()
polishing, adding _pInt etc. where applicable post_results now handels zero increment different (like FEM, it is always there even if it is not counted)
2012-02-13 19:48:07 +05:30
case(3_pInt)
* new global integer variable "numerics_integrationMode" (1 indicating integration of central solution, 2 indicating integration of perturbed state) * combined "integrator" and "integratorStiffness" in new global variable "numerics_integrator"
2011-02-23 13:59:51 +05:30
call crystallite_integrateStateAdaptiveEuler()
polishing, adding _pInt etc. where applicable post_results now handels zero increment different (like FEM, it is always there even if it is not counted)
2012-02-13 19:48:07 +05:30
case(4_pInt)
* new global integer variable "numerics_integrationMode" (1 indicating integration of central solution, 2 indicating integration of perturbed state) * combined "integrator" and "integratorStiffness" in new global variable "numerics_integrator"
2011-02-23 13:59:51 +05:30
call crystallite_integrateStateRK4()
polishing, adding _pInt etc. where applicable post_results now handels zero increment different (like FEM, it is always there even if it is not counted)
2012-02-13 19:48:07 +05:30
case(5_pInt)
* new global integer variable "numerics_integrationMode" (1 indicating integration of central solution, 2 indicating integration of perturbed state) * combined "integrator" and "integratorStiffness" in new global variable "numerics_integrator"
2011-02-23 13:59:51 +05:30
call crystallite_integrateStateRKCK45()
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
end select
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
select case(perturbation)
case(1_pInt)
forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), g = 1:myNgrains, &
doxygen comments
2013-02-22 04:38:36 +05:30
crystallite_requested(g,i,e) .and. crystallite_converged(g,i,e)) & ! converged state warrants stiffness update
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
dPdF_perturbation1(1:3,1:3,k,l,g,i,e) = (crystallite_P(1:3,1:3,g,i,e) - P_backup(1:3,1:3,g,i,e)) / myPert ! tangent dP_ij/dFg_kl
case(2_pInt)
forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), g = 1:myNgrains, &
doxygen comments
2013-02-22 04:38:36 +05:30
crystallite_requested(g,i,e) .and. crystallite_converged(g,i,e)) & ! converged state warrants stiffness update
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
dPdF_perturbation2(1:3,1:3,k,l,g,i,e) = (crystallite_P(1:3,1:3,g,i,e) - P_backup(1:3,1:3,g,i,e)) / myPert ! tangent dP_ij/dFg_kl
end select
enddo
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
enddo; enddo ! k,l component perturbation loop
polishing
2012-11-22 15:28:36 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
endif
enddo ! perturbation direction
stiffness calculation now only needs a single function call to the respective integrator method instead of one call per grain (which seems to heavily slow down the computation). also no special treatment for non-local material points anymore.
2010-10-15 20:27:13 +05:30
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
! --- STIFFNESS ACCORDING TO PERTURBATION METHOD AND CONVERGENCE ---
stiffness calculation now only needs a single function call to the respective integrator method instead of one call per grain (which seems to heavily slow down the computation). also no special treatment for non-local material points anymore.
2010-10-15 20:27:13 +05:30
change bash-only "let" to "`expr`", abaqus_v6.env now suppresses warnings about long lines (there are only comments anyway)
2013-01-28 21:00:51 +05:30
elementLooping: do e = FEsolving_execElem(1),FEsolving_execElem(2)
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
myNgrains = homogenization_Ngrains(mesh_element(3,e))
select case(pert_method)
case(1_pInt)
forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), g = 1:myNgrains, &
doxygen comments
2013-02-22 04:38:36 +05:30
crystallite_requested(g,i,e) .and. convergenceFlag_backup(g,i,e)) & ! perturbation mode 1: central solution converged
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
crystallite_dPdF(1:3,1:3,1:3,1:3,g,i,e) = dPdF_perturbation1(1:3,1:3,1:3,1:3,g,i,e)
case(2_pInt)
forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), g = 1:myNgrains, &
doxygen comments
2013-02-22 04:38:36 +05:30
crystallite_requested(g,i,e) .and. convergenceFlag_backup(g,i,e)) & ! perturbation mode 2: central solution converged
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
crystallite_dPdF(1:3,1:3,1:3,1:3,g,i,e) = dPdF_perturbation2(1:3,1:3,1:3,1:3,g,i,e)
case(3_pInt)
forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), g = 1:myNgrains, &
doxygen comments
2013-02-22 04:38:36 +05:30
crystallite_requested(g,i,e) .and. convergenceFlag_backup(g,i,e)) & ! perturbation mode 3: central solution converged
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
crystallite_dPdF(1:3,1:3,1:3,1:3,g,i,e) = 0.5_pReal* ( dPdF_perturbation1(1:3,1:3,1:3,1:3,g,i,e) &
+ dPdF_perturbation2(1:3,1:3,1:3,1:3,g,i,e))
end select
forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), g = 1:myNgrains, &
doxygen comments
2013-02-22 04:38:36 +05:30
crystallite_requested(g,i,e) .and. .not. convergenceFlag_backup(g,i,e)) & ! for any pertubation mode: if central solution did not converge...
crystallite_dPdF(1:3,1:3,1:3,1:3,g,i,e) = crystallite_fallbackdPdF(1:3,1:3,1:3,1:3,g,i,e) ! ...use (elastic) fallback
change bash-only "let" to "`expr`", abaqus_v6.env now suppresses warnings about long lines (there are only comments anyway)
2013-01-28 21:00:51 +05:30
enddo elementLooping
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
Depending on which state integrator one uses for the stiffness calculation, the initial state has to be chosen accordingly: e.g. for FPI choose last converged state, but for explicit RK choose converged state from start of increment (in case of explicit euler no state integration at all, but only stress integration). For this purpose we also need to remember "Fe" which now follows the cutbacking procedure as it is used for "Fp".
2011-11-04 18:14:50 +05:30
! --- RESTORE ---
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain added some OMP FLUSH statements were necessary replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 21:13:29 +05:30
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), g = 1:myNgrains)
constitutive_state(g,i,e)%p(1:constitutive_sizeState(g,i,e)) = &
constitutive_state_backup(g,i,e)%p(1:constitutive_sizeState(g,i,e))
constitutive_dotState(g,i,e)%p(1:constitutive_sizeDotState(g,i,e)) = &
constitutive_dotState_backup(g,i,e)%p(1:constitutive_sizeDotState(g,i,e))
endforall
enddo
Depending on which state integrator one uses for the stiffness calculation, the initial state has to be chosen accordingly: e.g. for FPI choose last converged state, but for explicit RK choose converged state from start of increment (in case of explicit euler no state integration at all, but only stress integration). For this purpose we also need to remember "Fe" which now follows the cutbacking procedure as it is used for "Fp".
2011-11-04 18:14:50 +05:30
crystallite_Temperature = Temperature_backup
polishing
2012-11-22 15:28:36 +05:30
crystallite_subF = F_backup
crystallite_Fp = Fp_backup
crystallite_invFp = InvFp_backup
crystallite_Fe = Fe_backup
crystallite_Lp = Lp_backup
crystallite_Tstar_v = Tstar_v_backup
crystallite_P = P_backup
crystallite_converged = convergenceFlag_backup
crystallite.f90: can now calculate analytic jacobian by setting analyticJaco = 1 in numerics.config math.f90: added math_mul3333xx3333… numerics.f90: to read in analyticJaco and Lp_frac
2012-02-23 01:41:09 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
else ! Calculate Jacobian using analytical expression
Depending on which state integrator one uses for the stiffness calculation, the initial state has to be chosen accordingly: e.g. for FPI choose last converged state, but for explicit RK choose converged state from start of increment (in case of explicit euler no state integration at all, but only stress integration). For this purpose we also need to remember "Fe" which now follows the cutbacking procedure as it is used for "Fp".
2011-11-04 18:14:50 +05:30
crystallite.f90: can now calculate analytic jacobian by setting analyticJaco = 1 in numerics.config math.f90: added math_mul3333xx3333… numerics.f90: to read in analyticJaco and Lp_frac
2012-02-23 01:41:09 +05:30
! --- CALCULATE ANALYTIC dPdF ---
dPdF calculations made consistent with constitutive_TandItsTangent
2012-03-21 20:30:36 +05:30
!$OMP PARALLEL DO PRIVATE(dFedF,dSdF,dSdFe,myNgrains)
doxygen comments
2013-02-22 04:38:36 +05:30
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for
2012-03-14 19:26:50 +05:30
myNgrains = homogenization_Ngrains(mesh_element(3,e))
doxygen comments
2013-02-22 04:38:36 +05:30
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for
2012-03-14 19:26:50 +05:30
do g = 1_pInt,myNgrains
dFedF = 0.0_pReal
do p=1_pInt,3_pInt; do o=1_pInt,3_pInt
doxygen comments
2013-02-22 04:38:36 +05:30
dFedF(p,o,o,1:3) = crystallite_invFp(1:3,p,g,i,e) ! dFe^T_ij/dF_kl = delta_jk * (Fp current^-1)_li
dPdF calculations made consistent with constitutive_TandItsTangent
2012-03-21 20:30:36 +05:30
enddo; enddo
doxygen comments
2013-02-22 04:38:36 +05:30
call constitutive_TandItsTangent(junk,dSdFe,crystallite_subFe0(1:3,1:3,g,i,e),g,i,e) ! call constitutive law to calculate 2nd Piola-Kirchhoff stress and its derivative
dSdF = math_mul3333xx3333(dSdFe,dFedF) ! dS/dF = dS/dFe * dFe/dF
simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for
2012-03-14 19:26:50 +05:30
do p=1_pInt,3_pInt; do o=1_pInt,3_pInt
crystallite_dPdF(1:3,1:3,o,p,g,i,e) = math_mul33x33(math_mul33x33(dFedF(1:3,1:3,o,p),&
math_Mandel6to33(crystallite_Tstar_v)),math_transpose33(&
doxygen comments
2013-02-22 04:38:36 +05:30
crystallite_invFp(1:3,1:3,g,i,e))) & ! dP/dF = dFe/dF * S * Fp^-T...
simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for
2012-03-14 19:26:50 +05:30
+ math_mul33x33(crystallite_subFe0(1:3,1:3,g,i,e),&
math_mul33x33(dSdF(1:3,1:3,o,p),math_transpose33(crystallite_invFp(1:3,1:3,g,i,e)))) ! + Fe * dS/dF * Fp^-T
enddo; enddo
enddo; enddo; enddo
!$OMP END PARALLEL DO
endif
if (rate_sensitivity) then
dPdF calculations made consistent with constitutive_TandItsTangent
2012-03-21 20:30:36 +05:30
!$OMP PARALLEL DO PRIVATE(dFedFdot,dSdFdot,dSdFe,Fpinv_rate,FDot_inv,counter,dFp_invdFdot,myNgrains)
crystallite.f90: can now calculate analytic jacobian by setting analyticJaco = 1 in numerics.config math.f90: added math_mul3333xx3333… numerics.f90: to read in analyticJaco and Lp_frac
2012-02-23 01:41:09 +05:30
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for
2012-03-14 19:26:50 +05:30
do g = 1_pInt,myNgrains
Fpinv_rate = math_mul33x33(crystallite_invFp(1:3,1:3,g,i,e),crystallite_Lp(1:3,1:3,g,i,e)) ! dFp^-1 = dFp^-1/dt *dt... dFp may overshoot dF by small ammount as
FDot_inv = crystallite_subF(1:3,1:3,g,i,e) - crystallite_F0(1:3,1:3,g,i,e)
Added stress-order terms to analytic stiffness
2012-02-27 23:10:28 +05:30
counter = 0.0_pReal
simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for
2012-03-14 19:26:50 +05:30
do p=1_pInt,3_pInt; do o=1_pInt,3_pInt
polishing
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if (abs(FDot_inv(o,p)) < relevantStrain) then
simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for
2012-03-14 19:26:50 +05:30
FDot_inv(o,p) = 0.0_pReal
crystallite.f90: can now calculate analytic jacobian by setting analyticJaco = 1 in numerics.config math.f90: added math_mul3333xx3333… numerics.f90: to read in analyticJaco and Lp_frac
2012-02-23 01:41:09 +05:30
else
simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for
2012-03-14 19:26:50 +05:30
counter = counter + 1.0_pReal
FDot_inv(o,p) = crystallite_dt(g,i,e)/FDot_inv(o,p)
crystallite.f90: can now calculate analytic jacobian by setting analyticJaco = 1 in numerics.config math.f90: added math_mul3333xx3333… numerics.f90: to read in analyticJaco and Lp_frac
2012-02-23 01:41:09 +05:30
endif
enddo; enddo
polishing
2012-11-22 15:28:36 +05:30
if (counter > 0.0_pReal) FDot_inv = FDot_inv/counter
simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for
2012-03-14 19:26:50 +05:30
do p=1_pInt,3_pInt; do o=1_pInt,3_pInt
dPdF calculations made consistent with constitutive_TandItsTangent
2012-03-21 20:30:36 +05:30
dFp_invdFdot(o,p,1:3,1:3) = Fpinv_rate(o,p)*FDot_inv
added time_sensitive flag to ignore or add time sensitive component to analytic jacobian (should be close to perturbed jacobian when ignored) now uses sub_dt for analytic jacobian calculations bug fixes
2012-03-02 01:12:43 +05:30
enddo; enddo
simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for
2012-03-14 19:26:50 +05:30
do p=1_pInt,3_pInt; do o=1_pInt,3_pInt
dFedFdot(1:3,1:3,o,p) = math_transpose33(math_mul33x33(crystallite_subF(1:3,1:3,g,i,e), &
dFp_invdFdot(1:3,1:3,o,p)))
crystallite.f90: can now calculate analytic jacobian by setting analyticJaco = 1 in numerics.config math.f90: added math_mul3333xx3333… numerics.f90: to read in analyticJaco and Lp_frac
2012-02-23 01:41:09 +05:30
enddo; enddo
dPdF calculations made consistent with constitutive_TandItsTangent
2012-03-21 20:30:36 +05:30
call constitutive_TandItsTangent(junk,dSdFe,crystallite_subFe0(1:3,1:3,g,i,e),g,i,e) ! call constitutive law to calculate 2nd Piola-Kirchhoff stress and its derivative
simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for
2012-03-14 19:26:50 +05:30
dSdFdot = math_mul3333xx3333(dSdFe,dFedFdot)
do p=1_pInt,3_pInt; do o=1_pInt,3_pInt
crystallite_dPdF(1:3,1:3,o,p,g,i,e) = crystallite_dPdF(1:3,1:3,o,p,g,i,e) - &
(math_mul33x33(math_mul33x33(dFedFdot(1:3,1:3,o,p), &
math_Mandel6to33(crystallite_Tstar_v)),math_transpose33( &
dPdF calculations made consistent with constitutive_TandItsTangent
2012-03-21 20:30:36 +05:30
crystallite_invFp(1:3,1:3,g,i,e))) + & ! dP/dFdot = dFe/dFdot * S * Fp^-T...
simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for
2012-03-14 19:26:50 +05:30
math_mul33x33(math_mul33x33(crystallite_subFe0(1:3,1:3,g,i,e), &
dPdF calculations made consistent with constitutive_TandItsTangent
2012-03-21 20:30:36 +05:30
math_Mandel6to33(crystallite_Tstar_v)),math_transpose33(dFp_invdFdot(1:3,1:3,o,p))) & ! + Fe * S * dFp^-T/dFdot...
simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for
2012-03-14 19:26:50 +05:30
+ math_mul33x33(crystallite_subFe0(1:3,1:3,g,i,e), &
dPdF calculations made consistent with constitutive_TandItsTangent
2012-03-21 20:30:36 +05:30
math_mul33x33(dSdFdot(1:3,1:3,o,p),math_transpose33(crystallite_invFp(1:3,1:3,g,i,e))))) ! + Fe * dS/dFdot * Fp^-T
crystallite.f90: can now calculate analytic jacobian by setting analyticJaco = 1 in numerics.config math.f90: added math_mul3333xx3333… numerics.f90: to read in analyticJaco and Lp_frac
2012-02-23 01:41:09 +05:30
enddo; enddo
simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for
2012-03-14 19:26:50 +05:30
enddo; enddo; enddo
fixed bug in calculation of analytic jacobian (should work much better now). parallelized analytic jacobian calculation loop
2012-02-24 19:37:46 +05:30
!$OMP END PARALLEL DO
crystallite.f90: can now calculate analytic jacobian by setting analyticJaco = 1 in numerics.config math.f90: added math_mul3333xx3333… numerics.f90: to read in analyticJaco and Lp_frac
2012-02-23 01:41:09 +05:30
endif
openmp parallelization working again (at least for j2 and nonlocal constitutive model). In order to keep it like that, please follow these simple rules: DON'T use implicit array subscripts: example: real, dimension(3,3) :: A,B A(:,2) = B(:,1) <--- DON'T USE A(1:3,2) = B(1:3,1) <--- BETTER USE In many cases the use of explicit array subscripts is inevitable for parallelization. Additionally, it is an easy means to prevent memory leaks. Enclose all write statements with the following: !$OMP CRITICAL (write2out) <your write statement> !$OMP END CRITICAL (write2out) Whenever you change something in the code and are not sure if it affects parallelization and leads to nonconforming behavior, please ask me and/or Franz to check this.
2011-03-17 16:16:17 +05:30
endif ! jacobian calculation
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end subroutine crystallite_stressAndItsTangent
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief integrate stress, state and Temperature with 4th order explicit Runge Kutta method
!--------------------------------------------------------------------------------------------------
* new global integer variable "numerics_integrationMode" (1 indicating integration of central solution, 2 indicating integration of perturbed state) * combined "integrator" and "integratorStiffness" in new global variable "numerics_integrator"
2011-02-23 13:59:51 +05:30
subroutine crystallite_integrateStateRK4(gg,ii,ee)
doxygen comments
2013-02-22 04:38:36 +05:30
use prec, only: pInt, &
pReal
use numerics, only: numerics_integrationMode
use debug, only: debug_level, &
debug_crystallite, &
debug_levelBasic, &
debug_levelExtensive, &
debug_levelSelective, &
debug_e, &
debug_i, &
debug_g, &
debug_StateLoopDistribution
use FEsolving, only: FEsolving_execElem, &
FEsolving_execIP
use mesh, only: mesh_element, &
mesh_NcpElems, &
mesh_maxNips
use material, only: homogenization_Ngrains, &
homogenization_maxNgrains
use constitutive, only: constitutive_sizeDotState, &
constitutive_state, &
constitutive_subState0, &
constitutive_dotState, &
constitutive_RK4dotState, &
constitutive_collectDotState, &
constitutive_deltaState, &
constitutive_collectDeltaState, &
constitutive_dotTemperature, &
constitutive_microstructure
implicit none
real(pReal), dimension(4), parameter :: timeStepFraction = [0.5_pReal, 0.5_pReal, 1.0_pReal, 1.0_pReal] ! factor giving the fraction of the original timestep used for Runge Kutta Integration
real(pReal), dimension(4), parameter :: weight = [1.0_pReal, 2.0_pReal, 2.0_pReal, 1.0_pReal] ! weight of slope used for Runge Kutta integration
!*** input variables ***!
integer(pInt), optional, intent(in):: ee, & ! element index
ii, & ! integration point index
gg ! grain index
!*** output variables ***!
!*** local variables ***!
integer(pInt) e, & ! element index in element loop
i, & ! integration point index in ip loop
g, & ! grain index in grain loop
n, &
mySizeDotState
integer(pInt), dimension(2) :: eIter ! bounds for element iteration
integer(pInt), dimension(2,mesh_NcpElems) :: iIter, & ! bounds for ip iteration
gIter ! bounds for grain iteration
real(pReal), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
RK4dotTemperature ! evolution of Temperature of each grain for Runge Kutta integration
logical singleRun ! flag indicating computation for single (g,i,e) triple
if (present(ee) .and. present(ii) .and. present(gg)) then
eIter = ee
iIter(1:2,ee) = ii
gIter(1:2,ee) = gg
singleRun = .true.
else
eIter = FEsolving_execElem(1:2)
do e = eIter(1),eIter(2)
iIter(1:2,e) = FEsolving_execIP(1:2,e)
gIter(1:2,e) = [ 1_pInt,homogenization_Ngrains(mesh_element(3,e))]
enddo
singleRun = .false.
endif
! --- FIRST RUNGE KUTTA STEP ---
RK4dotTemperature = 0.0_pReal ! initialize Runge-Kutta dotTemperature
!$OMP PARALLEL PRIVATE(mySizeDotState)
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
constitutive_RK4dotState(g,i,e)%p = 0.0_pReal ! initialize Runge-Kutta dotState
if (crystallite_todo(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, crystallite_Fp, &
crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), crystallite_subFrac, g,i,e)
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Temperature(g,i,e),g,i,e)
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
if ( any(constitutive_dotState(g,i,e)%p /= constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
.or. crystallite_dotTemperature(g,i,e) /= crystallite_dotTemperature(g,i,e) ) then ! NaN occured in dotTemperature
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP END PARALLEL
! --- SECOND TO FOURTH RUNGE KUTTA STEP PLUS FINAL INTEGRATION ---
do n = 1_pInt,4_pInt
! --- state update ---
!$OMP PARALLEL PRIVATE(mySizeDotState)
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
mySizeDotState = constitutive_sizeDotState(g,i,e)
if (n < 4) then
constitutive_RK4dotState(g,i,e)%p = constitutive_RK4dotState(g,i,e)%p + weight(n)*constitutive_dotState(g,i,e)%p
RK4dotTemperature(g,i,e) = RK4dotTemperature(g,i,e) + weight(n)*crystallite_dotTemperature(g,i,e)
elseif (n == 4) then
constitutive_dotState(g,i,e)%p = (constitutive_RK4dotState(g,i,e)%p + &
weight(n)*constitutive_dotState(g,i,e)%p) / 6.0_pReal ! use weighted RKdotState for final integration
crystallite_dotTemperature(g,i,e) = (RK4dotTemperature(g,i,e) + weight(n)*crystallite_dotTemperature(g,i,e)) / 6.0_pReal
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
mySizeDotState = constitutive_sizeDotState(g,i,e)
constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_subState0(g,i,e)%p(1:mySizeDotState) &
+ constitutive_dotState(g,i,e)%p(1:mySizeDotState) * crystallite_subdt(g,i,e) * timeStepFraction(n)
crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) &
+ crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e) * timeStepFraction(n)
if (n == 4) then ! final integration step
new function stateJump, which takes care of immediate changes in the state (deltaState); this introduces discontinuities in the state evolution; therefore this is always and only once done after each integration step, so no evaluation of deltaState for intermediate steps of e.g. the Runge-Kutta integrator; otherwise integration becomes a pain without significant gain in accuracy deltaState now successfully tested for nonlocal model; was not correct for integrators 1,4,5 before
2012-06-06 20:41:30 +05:30
#ifndef _OPENMP
doxygen comments
2013-02-22 04:38:36 +05:30
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g)&
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
mySizeDotState = constitutive_sizeDotState(g,i,e)
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> updateState at el ip g ',e,i,g
write(6,*)
write(6,'(a,/,(12x,12(e12.6,1x)))') '<< CRYST >> dotState', constitutive_dotState(g,i,e)%p(1:mySizeDotState)
write(6,*)
write(6,'(a,/,(12x,12(e12.6,1x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
write(6,*)
endif
new function stateJump, which takes care of immediate changes in the state (deltaState); this introduces discontinuities in the state evolution; therefore this is always and only once done after each integration step, so no evaluation of deltaState for intermediate steps of e.g. the Runge-Kutta integrator; otherwise integration becomes a pain without significant gain in accuracy deltaState now successfully tested for nonlocal model; was not correct for integrators 1,4,5 before
2012-06-06 20:41:30 +05:30
#endif
doxygen comments
2013-02-22 04:38:36 +05:30
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
! --- state jump ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
crystallite_todo(g,i,e) = crystallite_stateJump(g,i,e)
!$OMP FLUSH(crystallite_todo)
if (.not. crystallite_todo(g,i,e) .and. .not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
! --- update dependent states ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Fe(1:3,1:3,g,i,e), &
crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
endif
enddo; enddo; enddo
!$OMP ENDDO
! --- stress integration ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
crystallite_todo(g,i,e) = crystallite_integrateStress(g,i,e,timeStepFraction(n)) ! fraction of original times step
!$OMP FLUSH(crystallite_todo)
if (.not. crystallite_todo(g,i,e) .and. .not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
! --- dot state and RK dot state---
if (n < 4) then
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, crystallite_Fp, &
crystallite_Temperature(g,i,e), timeStepFraction(n)*crystallite_subdt(g,i,e), & ! fraction of original timestep
crystallite_subFrac, g,i,e)
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Temperature(g,i,e),g,i,e)
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
if ( any(constitutive_dotState(g,i,e)%p /= constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
.or. crystallite_dotTemperature(g,i,e) /= crystallite_dotTemperature(g,i,e) ) then ! NaN occured in dotTemperature
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
endif
!$OMP END PARALLEL
enddo
! --- SET CONVERGENCE FLAG ---
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
crystallite_converged(g,i,e) = .true. ! if still "to do" then converged per definitionem
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (distributionState)
debug_StateLoopDistribution(4,numerics_integrationMode) = &
debug_StateLoopDistribution(4,numerics_integrationMode) + 1_pInt
!$OMP END CRITICAL (distributionState)
endif
endif
enddo; enddo; enddo
! --- CHECK NONLOCAL CONVERGENCE ---
if (.not. singleRun) then ! if not requesting Integration of just a single IP
if (any(.not. crystallite_converged .and. .not. crystallite_localPlasticity)) then ! any non-local not yet converged (or broken)...
crystallite_converged = crystallite_converged .and. crystallite_localPlasticity ! ...restart all non-local as not converged
endif
endif
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end subroutine crystallite_integrateStateRK4
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief integrate stress, state and Temperature with 5th order Runge-Kutta Cash-Karp method with
!> adaptive step size (use 5th order solution to advance = "local extrapolation")
!--------------------------------------------------------------------------------------------------
* new global integer variable "numerics_integrationMode" (1 indicating integration of central solution, 2 indicating integration of perturbed state) * combined "integrator" and "integratorStiffness" in new global variable "numerics_integrator"
2011-02-23 13:59:51 +05:30
subroutine crystallite_integrateStateRKCK45(gg,ii,ee)
doxygen comments
2013-02-22 04:38:36 +05:30
use debug, only: debug_level, &
debug_crystallite, &
debug_levelBasic, &
debug_levelExtensive, &
debug_levelSelective, &
debug_e, &
debug_i, &
debug_g, &
debug_StateLoopDistribution
use numerics, only: rTol_crystalliteState, &
rTol_crystalliteTemperature, &
numerics_integrationMode
use FEsolving, only: FEsolving_execElem, &
FEsolving_execIP
use mesh, only: mesh_element, &
mesh_NcpElems, &
mesh_maxNips
use material, only: homogenization_Ngrains, &
homogenization_maxNgrains
use constitutive, only: constitutive_sizeDotState, &
constitutive_maxSizeDotState, &
constitutive_state, &
constitutive_aTolState, &
constitutive_subState0, &
constitutive_dotState, &
constitutive_RKCK45dotState, &
constitutive_collectDotState, &
constitutive_deltaState, &
constitutive_collectDeltaState, &
constitutive_dotTemperature, &
constitutive_microstructure
implicit none
!*** input variables ***!
integer(pInt), optional, intent(in):: ee, & ! element index
ii, & ! integration point index
gg ! grain index
!*** local variables ***!
integer(pInt) e, & ! element index in element loop
i, & ! integration point index in ip loop
g, & ! grain index in grain loop
n, & ! stage index in integration stage loop
mySizeDotState, & ! size of dot State
s ! state index
integer(pInt), dimension(2) :: eIter ! bounds for element iteration
integer(pInt), dimension(2,mesh_NcpElems) :: iIter, & ! bounds for ip iteration
gIter ! bounds for grain iteration
real(pReal), dimension(6,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
RKCK45dotTemperature ! evolution of Temperature of each grain for Runge Kutta Cash Karp integration
real(pReal), dimension(5,5) :: a ! coefficients in Butcher tableau (used for preliminary integration in stages 2 to 6)
real(pReal), dimension(6) :: b, db ! coefficients in Butcher tableau (used for final integration and error estimate)
real(pReal), dimension(5) :: c ! coefficients in Butcher tableau (fractions of original time step in stages 2 to 6)
real(pReal), dimension(constitutive_maxSizeDotState,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
stateResiduum, & ! residuum from evolution in micrstructure
relStateResiduum ! relative residuum from evolution in microstructure
real(pReal), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
temperatureResiduum, & ! residuum from evolution in temperature
relTemperatureResiduum ! relative residuum from evolution in temperature
logical singleRun ! flag indicating computation for single (g,i,e) triple
! --- FILL BUTCHER TABLEAU ---
a = 0.0_pReal
b = 0.0_pReal
db = 0.0_pReal
c = 0.0_pReal
a(1,1) = 0.2_pReal
a(1,2) = 0.075_pReal
a(2,2) = 0.225_pReal
a(1,3) = 0.3_pReal
a(2,3) = -0.9_pReal
a(3,3) = 1.2_pReal
a(1,4) = -11.0_pReal / 54.0_pReal
a(2,4) = 2.5_pReal
a(3,4) = -70.0_pReal / 27.0_pReal
a(4,4) = 35.0_pReal / 27.0_pReal
a(1,5) = 1631.0_pReal / 55296.0_pReal
a(2,5) = 175.0_pReal / 512.0_pReal
a(3,5) = 575.0_pReal / 13824.0_pReal
a(4,5) = 44275.0_pReal / 110592.0_pReal
a(5,5) = 253.0_pReal / 4096.0_pReal
b(1) = 37.0_pReal / 378.0_pReal
b(3) = 250.0_pReal / 621.0_pReal
b(4) = 125.0_pReal / 594.0_pReal
b(6) = 512.0_pReal / 1771.0_pReal
db(1) = b(1) - 2825.0_pReal / 27648.0_pReal
db(3) = b(3) - 18575.0_pReal / 48384.0_pReal
db(4) = b(4) - 13525.0_pReal / 55296.0_pReal
db(5) = - 277.0_pReal / 14336.0_pReal
db(6) = b(6) - 0.25_pReal
c(1) = 0.2_pReal
c(2) = 0.3_pReal
c(3) = 0.6_pReal
c(4) = 1.0_pReal
c(5) = 0.875_pReal
! --- LOOP ITERATOR FOR ELEMENT, GRAIN, IP ---
if (present(ee) .and. present(ii) .and. present(gg)) then
eIter = ee
iIter(1:2,ee) = ii
gIter(1:2,ee) = gg
singleRun = .true.
else
eIter = FEsolving_execElem(1:2)
do e = eIter(1),eIter(2)
iIter(1:2,e) = FEsolving_execIP(1:2,e)
gIter(1:2,e) = [1_pInt,homogenization_Ngrains(mesh_element(3,e))]
enddo
singleRun = .false.
endif
! --- FIRST RUNGE KUTTA STEP ---
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,'(a,1x,i1)') '<< CRYST >> RUNGE KUTTA STEP',1
!$OMP END CRITICAL (write2out)
endif
!$OMP PARALLEL PRIVATE(mySizeDotState)
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, crystallite_Fp, &
crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), crystallite_subFrac, g,i,e)
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Temperature(g,i,e),g,i,e)
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
if ( any(constitutive_dotState(g,i,e)%p /= constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
.or. crystallite_dotTemperature(g,i,e) /= crystallite_dotTemperature(g,i,e) ) then ! NaN occured in dotTemperature
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
endif
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
enddo; enddo; enddo
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP ENDDO
!$OMP END PARALLEL
! --- SECOND TO SIXTH RUNGE KUTTA STEP ---
do n = 1_pInt,5_pInt
! --- state update ---
!$OMP PARALLEL PRIVATE(mySizeDotState)
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
mySizeDotState = constitutive_sizeDotState(g,i,e)
constitutive_RKCK45dotState(n,g,i,e)%p = constitutive_dotState(g,i,e)%p ! store Runge-Kutta dotState
RKCK45dotTemperature(n,g,i,e) = crystallite_dotTemperature(g,i,e) ! store Runge-Kutta dotTemperature
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
if (n == 1) then ! NEED TO DO THE ADDITION IN THIS LENGTHY WAY BECAUSE OF PARALLELIZATION (CAN'T USE A REDUCTION CLAUSE ON A POINTER OR USER DEFINED TYPE)
constitutive_dotState(g,i,e)%p = a(1,1) * constitutive_RKCK45dotState(1,g,i,e)%p
crystallite_dotTemperature(g,i,e) = a(1,1) * RKCK45dotTemperature(1,g,i,e)
elseif (n == 2) then
constitutive_dotState(g,i,e)%p = a(1,2) * constitutive_RKCK45dotState(1,g,i,e)%p &
+ a(2,2) * constitutive_RKCK45dotState(2,g,i,e)%p
crystallite_dotTemperature(g,i,e) = a(1,2) * RKCK45dotTemperature(1,g,i,e) &
+ a(2,2) * RKCK45dotTemperature(2,g,i,e)
elseif (n == 3) then
constitutive_dotState(g,i,e)%p = a(1,3) * constitutive_RKCK45dotState(1,g,i,e)%p &
+ a(2,3) * constitutive_RKCK45dotState(2,g,i,e)%p &
+ a(3,3) * constitutive_RKCK45dotState(3,g,i,e)%p
crystallite_dotTemperature(g,i,e) = a(1,3) * RKCK45dotTemperature(1,g,i,e) &
+ a(2,3) * RKCK45dotTemperature(2,g,i,e) &
+ a(3,3) * RKCK45dotTemperature(3,g,i,e)
elseif (n == 4) then
constitutive_dotState(g,i,e)%p = a(1,4) * constitutive_RKCK45dotState(1,g,i,e)%p &
+ a(2,4) * constitutive_RKCK45dotState(2,g,i,e)%p &
+ a(3,4) * constitutive_RKCK45dotState(3,g,i,e)%p &
+ a(4,4) * constitutive_RKCK45dotState(4,g,i,e)%p
crystallite_dotTemperature(g,i,e) = a(1,4) * RKCK45dotTemperature(1,g,i,e) &
+ a(2,4) * RKCK45dotTemperature(2,g,i,e) &
+ a(3,4) * RKCK45dotTemperature(3,g,i,e) &
+ a(4,4) * RKCK45dotTemperature(4,g,i,e)
elseif (n == 5) then
constitutive_dotState(g,i,e)%p = a(1,5) * constitutive_RKCK45dotState(1,g,i,e)%p &
+ a(2,5) * constitutive_RKCK45dotState(2,g,i,e)%p &
+ a(3,5) * constitutive_RKCK45dotState(3,g,i,e)%p &
+ a(4,5) * constitutive_RKCK45dotState(4,g,i,e)%p &
+ a(5,5) * constitutive_RKCK45dotState(5,g,i,e)%p
crystallite_dotTemperature(g,i,e) = a(1,5) * RKCK45dotTemperature(1,g,i,e) &
+ a(2,5) * RKCK45dotTemperature(2,g,i,e) &
+ a(3,5) * RKCK45dotTemperature(3,g,i,e) &
+ a(4,5) * RKCK45dotTemperature(4,g,i,e) &
+ a(5,5) * RKCK45dotTemperature(5,g,i,e)
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
mySizeDotState = constitutive_sizeDotState(g,i,e)
constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_subState0(g,i,e)%p(1:mySizeDotState) &
+ constitutive_dotState(g,i,e)%p(1:mySizeDotState) * crystallite_subdt(g,i,e)
crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) &
+ crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
endif
enddo; enddo; enddo
!$OMP ENDDO
! --- state jump ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
crystallite_todo(g,i,e) = crystallite_stateJump(g,i,e)
!$OMP FLUSH(crystallite_todo)
if (.not. crystallite_todo(g,i,e) .and. .not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
! --- update dependent states ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Fe(1:3,1:3,g,i,e), &
crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
endif
enddo; enddo; enddo
!$OMP ENDDO
! --- stress integration ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
crystallite_todo(g,i,e) = crystallite_integrateStress(g,i,e,c(n)) ! fraction of original time step
!$OMP FLUSH(crystallite_todo)
if (.not. crystallite_todo(g,i,e) .and. .not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
! --- dot state and RK dot state---
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
#ifndef _OPENMP
doxygen comments
2013-02-22 04:38:36 +05:30
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) then
write(6,'(a,1x,i1)') '<< CRYST >> Runge--Kutta step',n+1_pInt
endif
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
#endif
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, crystallite_Fp, &
crystallite_Temperature(g,i,e), c(n)*crystallite_subdt(g,i,e), & ! fraction of original timestep
crystallite_subFrac, g,i,e)
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Temperature(g,i,e),g,i,e)
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
if ( any(constitutive_dotState(g,i,e)%p/=constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
.or. crystallite_dotTemperature(g,i,e)/=crystallite_dotTemperature(g,i,e) ) then ! NaN occured in dotTemperature
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP END PARALLEL
enddo
! --- STATE UPDATE WITH ERROR ESTIMATE FOR STATE AND TEMPERATURE ---
relStateResiduum = 0.0_pReal
relTemperatureResiduum = 0.0_pReal
!$OMP PARALLEL PRIVATE(mySizeDotState)
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
mySizeDotState = constitutive_sizeDotState(g,i,e)
constitutive_RKCK45dotState(6,g,i,e)%p = constitutive_dotState(g,i,e)%p ! store Runge-Kutta dotState
RKCK45dotTemperature(6,g,i,e) = crystallite_dotTemperature(g,i,e) ! store Runge-Kutta dotTemperature
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
mySizeDotState = constitutive_sizeDotState(g,i,e)
! --- absolute residuum in state and temperature ---
! NEED TO DO THE ADDITION IN THIS LENGTHY WAY BECAUSE OF PARALLELIZATION
! CAN'T USE A REDUCTION CLAUSE ON A POINTER OR USER DEFINED TYPE
stateResiduum(1:mySizeDotState,g,i,e) = &
( db(1) * constitutive_RKCK45dotState(1,g,i,e)%p(1:mySizeDotState) &
+ db(2) * constitutive_RKCK45dotState(2,g,i,e)%p(1:mySizeDotState) &
+ db(3) * constitutive_RKCK45dotState(3,g,i,e)%p(1:mySizeDotState) &
+ db(4) * constitutive_RKCK45dotState(4,g,i,e)%p(1:mySizeDotState) &
+ db(5) * constitutive_RKCK45dotState(5,g,i,e)%p(1:mySizeDotState) &
+ db(6) * constitutive_RKCK45dotState(6,g,i,e)%p(1:mySizeDotState)) &
* crystallite_subdt(g,i,e)
temperatureResiduum(g,i,e) = ( db(1) * RKCK45dotTemperature(1,g,i,e) &
+ db(2) * RKCK45dotTemperature(2,g,i,e) &
+ db(3) * RKCK45dotTemperature(3,g,i,e) &
+ db(4) * RKCK45dotTemperature(4,g,i,e) &
+ db(5) * RKCK45dotTemperature(5,g,i,e) &
+ db(6) * RKCK45dotTemperature(6,g,i,e)) &
* crystallite_subdt(g,i,e)
! --- dot state and dot temperature ---
constitutive_dotState(g,i,e)%p = b(1) * constitutive_RKCK45dotState(1,g,i,e)%p &
+ b(2) * constitutive_RKCK45dotState(2,g,i,e)%p &
+ b(3) * constitutive_RKCK45dotState(3,g,i,e)%p &
+ b(4) * constitutive_RKCK45dotState(4,g,i,e)%p &
+ b(5) * constitutive_RKCK45dotState(5,g,i,e)%p &
+ b(6) * constitutive_RKCK45dotState(6,g,i,e)%p
crystallite_dotTemperature(g,i,e) = b(1) * RKCK45dotTemperature(1,g,i,e) &
+ b(2) * RKCK45dotTemperature(2,g,i,e) &
+ b(3) * RKCK45dotTemperature(3,g,i,e) &
+ b(4) * RKCK45dotTemperature(4,g,i,e) &
+ b(5) * RKCK45dotTemperature(5,g,i,e) &
+ b(6) * RKCK45dotTemperature(6,g,i,e)
endif
enddo; enddo; enddo
!$OMP ENDDO
! --- state and temperature update ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
mySizeDotState = constitutive_sizeDotState(g,i,e)
constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_subState0(g,i,e)%p(1:mySizeDotState) &
+ constitutive_dotState(g,i,e)%p(1:mySizeDotState) * crystallite_subdt(g,i,e)
crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) &
+ crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
endif
enddo; enddo; enddo
!$OMP ENDDO
! --- relative residui and state convergence ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
mySizeDotState = constitutive_sizeDotState(g,i,e)
forall (s = 1_pInt:mySizeDotState, abs(constitutive_state(g,i,e)%p(s)) > 0.0_pReal) &
relStateResiduum(s,g,i,e) = stateResiduum(s,g,i,e) / constitutive_state(g,i,e)%p(s)
if (crystallite_Temperature(g,i,e) > 0) then
relTemperatureResiduum(g,i,e) = temperatureResiduum(g,i,e) / crystallite_Temperature(g,i,e)
endif
!$OMP FLUSH(relStateResiduum,relTemperatureResiduum)
crystallite_todo(g,i,e) = &
( all( abs(relStateResiduum(:,g,i,e)) < rTol_crystalliteState &
.or. abs(stateResiduum(1:mySizeDotState,g,i,e)) < constitutive_aTolState(g,i,e)%p(1:mySizeDotState) ) &
.and. abs(relTemperatureResiduum(g,i,e)) < rTol_crystalliteTemperature )
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
#ifndef _OPENMP
doxygen comments
2013-02-22 04:38:36 +05:30
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt&
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g)&
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
write(6,'(a,i8,1x,i3,1x,i3)') '<< CRYST >> updateState at el ip g ',e,i,g
write(6,*)
write(6,'(a,/,(12x,12(f12.1,1x)))') '<< CRYST >> absolute residuum tolerance', &
stateResiduum(1:mySizeDotState,g,i,e) / constitutive_aTolState(g,i,e)%p(1:mySizeDotState)
write(6,*)
write(6,'(a,/,(12x,12(f12.1,1x)))') '<< CRYST >> relative residuum tolerance', &
relStateResiduum(1:mySizeDotState,g,i,e) / rTol_crystalliteState
write(6,*)
write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> dotState', constitutive_dotState(g,i,e)%p(1:mySizeDotState)
write(6,*)
write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
write(6,*)
endif
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
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#endif
doxygen comments
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endif
Depending on which state integrator one uses for the stiffness calculation, the initial state has to be chosen accordingly: e.g. for FPI choose last converged state, but for explicit RK choose converged state from start of increment (in case of explicit euler no state integration at all, but only stress integration). For this purpose we also need to remember "Fe" which now follows the cutbacking procedure as it is used for "Fp".
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enddo; enddo; enddo
doxygen comments
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!$OMP ENDDO
! --- STATE JUMP ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
crystallite_todo(g,i,e) = crystallite_stateJump(g,i,e)
!$OMP FLUSH(crystallite_todo)
if (.not. crystallite_todo(g,i,e) .and. .not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
endif
endif
Depending on which state integrator one uses for the stiffness calculation, the initial state has to be chosen accordingly: e.g. for FPI choose last converged state, but for explicit RK choose converged state from start of increment (in case of explicit euler no state integration at all, but only stress integration). For this purpose we also need to remember "Fe" which now follows the cutbacking procedure as it is used for "Fp".
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enddo; enddo; enddo
doxygen comments
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!$OMP ENDDO
! --- UPDATE DEPENDENT STATES IF RESIDUUM BELOW TOLERANCE ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Fe(1:3,1:3,g,i,e), &
crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
endif
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
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enddo; enddo; enddo
doxygen comments
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!$OMP ENDDO
! --- FINAL STRESS INTEGRATION STEP IF RESIDUUM BELOW TOLERANCE ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
crystallite_todo(g,i,e) = crystallite_integrateStress(g,i,e)
!$OMP FLUSH(crystallite_todo)
if (.not. crystallite_todo(g,i,e) .and. .not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
! --- SET CONVERGENCE FLAG ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
crystallite_converged(g,i,e) = .true. ! if still "to do" then converged per definitionem
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (distributionState)
debug_StateLoopDistribution(6,numerics_integrationMode) = &
debug_StateLoopDistribution(6,numerics_integrationMode) + 1_pInt
!$OMP END CRITICAL (distributionState)
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP END PARALLEL
! --- nonlocal convergence check ---
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,'(a,i8,a,i2)') '<< CRYST >> ', count(crystallite_converged(:,:,:)), ' grains converged'
write(6,*)
!$OMP END CRITICAL (write2out)
endif
if (.not. singleRun) then ! if not requesting Integration of just a single IP
if ( any(.not. crystallite_converged .and. .not. crystallite_localPlasticity)) then ! any non-local not yet converged (or broken)...
crystallite_converged = crystallite_converged .and. crystallite_localPlasticity ! ...restart all non-local as not converged
endif
endif
end subroutine crystallite_integrateStateRKCK45
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
instantaneous jumps in the state by constitutive_deltaState are now incorporated for all state integrators. still they (should) not influence the result, since all constitutive laws simply return zero for the deltaState
2012-05-17 20:55:21 +05:30
doxygen comments
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!--------------------------------------------------------------------------------------------------
!> @brief integrate stress, state and Temperature with 1st order Euler method with adaptive step size
!--------------------------------------------------------------------------------------------------
subroutine crystallite_integrateStateAdaptiveEuler(gg,ii,ee)
use debug, only: debug_level, &
debug_crystallite, &
debug_levelBasic, &
debug_levelExtensive, &
debug_levelSelective, &
debug_e, &
debug_i, &
debug_g, &
debug_StateLoopDistribution
use numerics, only: rTol_crystalliteState, &
rTol_crystalliteTemperature, &
numerics_integrationMode
use FEsolving, only: FEsolving_execElem, &
FEsolving_execIP
use mesh, only: mesh_element, &
mesh_NcpElems, &
mesh_maxNips
use material, only: homogenization_Ngrains, &
homogenization_maxNgrains
use constitutive, only: constitutive_sizeDotState, &
constitutive_maxSizeDotState, &
constitutive_state, &
constitutive_aTolState, &
constitutive_subState0, &
constitutive_dotState, &
constitutive_collectDotState, &
constitutive_dotTemperature, &
constitutive_microstructure
implicit none
!*** input variables ***!
integer(pInt), optional, intent(in):: ee, & ! element index
ii, & ! integration point index
gg ! grain index
!*** local variables ***!
integer(pInt) e, & ! element index in element loop
i, & ! integration point index in ip loop
g, & ! grain index in grain loop
mySizeDotState, & ! size of dot State
s ! state index
integer(pInt), dimension(2) :: eIter ! bounds for element iteration
integer(pInt), dimension(2,mesh_NcpElems) :: iIter, & ! bounds for ip iteration
gIter ! bounds for grain iteration
real(pReal), dimension(constitutive_maxSizeDotState,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
stateResiduum, & ! residuum from evolution in micrstructure
relStateResiduum ! relative residuum from evolution in microstructure
real(pReal), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
temperatureResiduum, & ! residuum from evolution in temperature
relTemperatureResiduum ! relative residuum from evolution in temperature
logical singleRun ! flag indicating computation for single (g,i,e) triple
! --- LOOP ITERATOR FOR ELEMENT, GRAIN, IP ---
if (present(ee) .and. present(ii) .and. present(gg)) then
eIter = ee
iIter(1:2,ee) = ii
gIter(1:2,ee) = gg
singleRun = .true.
else
eIter = FEsolving_execElem(1:2)
do e = eIter(1),eIter(2)
iIter(1:2,e) = FEsolving_execIP(1:2,e)
gIter(1:2,e) = [1_pInt,homogenization_Ngrains(mesh_element(3,e))]
enddo
singleRun = .false.
endif
stateResiduum = 0.0_pReal
!$OMP PARALLEL PRIVATE(mySizeDotState)
if (numerics_integrationMode == 1_pInt) then
! --- DOT STATE AND TEMPERATURE (EULER INTEGRATION) ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, crystallite_Fp, &
crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), crystallite_subFrac, g,i,e)
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Temperature(g,i,e),g,i,e)
endif
instantaneous jumps in the state by constitutive_deltaState are now incorporated for all state integrators. still they (should) not influence the result, since all constitutive laws simply return zero for the deltaState
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enddo; enddo; enddo
doxygen comments
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!$OMP ENDDO
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
if ( any(constitutive_dotState(g,i,e)%p /= constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
.or. crystallite_dotTemperature(g,i,e) /= crystallite_dotTemperature(g,i,e) ) then ! NaN occured in dotTemperature
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
endif
instantaneous jumps in the state by constitutive_deltaState are now incorporated for all state integrators. still they (should) not influence the result, since all constitutive laws simply return zero for the deltaState
2012-05-17 20:55:21 +05:30
enddo; enddo; enddo
doxygen comments
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!$OMP ENDDO
! --- STATE UPDATE (EULER INTEGRATION) ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
mySizeDotState = constitutive_sizeDotState(g,i,e)
stateResiduum(1:mySizeDotState,g,i,e) = - 0.5_pReal * constitutive_dotState(g,i,e)%p * crystallite_subdt(g,i,e) ! contribution to absolute residuum in state and temperature
temperatureResiduum(g,i,e) = - 0.5_pReal * crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_state(g,i,e)%p(1:mySizeDotState) &
+ constitutive_dotState(g,i,e)%p(1:mySizeDotState) * crystallite_subdt(g,i,e)
crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) &
+ crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
endif
enddo; enddo; enddo
!$OMP ENDDO
! --- STATE JUMP ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
crystallite_todo(g,i,e) = crystallite_stateJump(g,i,e)
!$OMP FLUSH(crystallite_todo)
if (.not. crystallite_todo(g,i,e) .and. .not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
! --- UPDATE DEPENDENT STATES (EULER INTEGRATION) ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Fe(1:3,1:3,g,i,e), &
crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
endif
enddo; enddo; enddo
!$OMP ENDDO
endif
! --- STRESS INTEGRATION (EULER INTEGRATION) ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
crystallite_todo(g,i,e) = crystallite_integrateStress(g,i,e)
!$OMP FLUSH(crystallite_todo)
if (.not. crystallite_todo(g,i,e) .and. .not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
if (numerics_integrationMode == 1_pInt) then
! --- DOT STATE AND TEMPERATURE (HEUN METHOD) ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, crystallite_Fp, &
crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), crystallite_subFrac, g,i,e)
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Temperature(g,i,e),g,i,e)
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
if ( any(constitutive_dotState(g,i,e)%p /= constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
.or. crystallite_dotTemperature(g,i,e) /= crystallite_dotTemperature(g,i,e) ) then ! NaN occured in dotTemperature
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
! --- ERROR ESTIMATE FOR STATE AND TEMPERATURE (HEUN METHOD) ---
!$OMP SINGLE
relStateResiduum = 0.0_pReal
relTemperatureResiduum = 0.0_pReal
!$OMP END SINGLE
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
mySizeDotState = constitutive_sizeDotState(g,i,e)
! --- contribution of heun step to absolute residui ---
stateResiduum(1:mySizeDotState,g,i,e) = stateResiduum(1:mySizeDotState,g,i,e) &
+ 0.5_pReal * constitutive_dotState(g,i,e)%p * crystallite_subdt(g,i,e) ! contribution to absolute residuum in state and temperature
temperatureResiduum(g,i,e) = temperatureResiduum(g,i,e) &
+ 0.5_pReal * crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
!$OMP FLUSH(stateResiduum,temperatureResiduum)
! --- relative residui ---
forall (s = 1_pInt:mySizeDotState, abs(constitutive_state(g,i,e)%p(s)) > 0.0_pReal) &
relStateResiduum(s,g,i,e) = stateResiduum(s,g,i,e) / constitutive_state(g,i,e)%p(s)
if (crystallite_Temperature(g,i,e) > 0_pInt) then
relTemperatureResiduum(g,i,e) = temperatureResiduum(g,i,e) / crystallite_Temperature(g,i,e)
endif
!$OMP FLUSH(relStateResiduum,relTemperatureResiduum)
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
#ifndef _OPENMP
doxygen comments
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g)&
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> updateState at el ip g ',e,i,g
write(6,*)
write(6,'(a,/,(12x,12(f12.1,1x)))') '<< CRYST >> absolute residuum tolerance', &
stateResiduum(1:mySizeDotState,g,i,e) / constitutive_aTolState(g,i,e)%p(1:mySizeDotState)
write(6,*)
write(6,'(a,/,(12x,12(f12.1,1x)))') '<< CRYST >> relative residuum tolerance', &
relStateResiduum(1:mySizeDotState,g,i,e) / rTol_crystalliteState
write(6,*)
write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> dotState', constitutive_dotState(g,i,e)%p(1:mySizeDotState) &
one line was beyond 132 characters
2013-02-22 11:08:02 +05:30
- 2.0_pReal * stateResiduum(1:mySizeDotState,g,i,e) / crystallite_subdt(g,i,e) ! calculate former dotstate from higher order solution and state residuum
doxygen comments
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write(6,*)
write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
write(6,*)
endif
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
#endif
doxygen comments
2013-02-22 04:38:36 +05:30
! --- converged ? ---
if ( all( abs(relStateResiduum(:,g,i,e)) < rTol_crystalliteState &
.or. abs(stateResiduum(1:mySizeDotState,g,i,e)) < constitutive_aTolState(g,i,e)%p(1:mySizeDotState)) &
.and. abs(relTemperatureResiduum(g,i,e)) < rTol_crystalliteTemperature ) then
crystallite_converged(g,i,e) = .true. ! ... converged per definitionem
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (distributionState)
debug_StateLoopDistribution(2,numerics_integrationMode) = &
debug_StateLoopDistribution(2,numerics_integrationMode) + 1_pInt
!$OMP END CRITICAL (distributionState)
endif
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
elseif (numerics_integrationMode > 1) then ! stiffness calculation
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
crystallite_converged(g,i,e) = .true. ! ... converged per definitionem
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (distributionState)
debug_StateLoopDistribution(2,numerics_integrationMode) = &
debug_StateLoopDistribution(2,numerics_integrationMode) + 1_pInt
!$OMP END CRITICAL (distributionState)
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
endif
!$OMP END PARALLEL
! --- NONLOCAL CONVERGENCE CHECK ---
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,'(a,i8,a,i2)') '<< CRYST >> ', count(crystallite_converged(:,:,:)), ' grains converged'
write(6,*)
!$OMP END CRITICAL (write2out)
endif
if (.not. singleRun) then ! if not requesting Integration of just a single IP
if ( any(.not. crystallite_converged .and. .not. crystallite_localPlasticity)) then ! any non-local not yet converged (or broken)...
crystallite_converged = crystallite_converged .and. crystallite_localPlasticity ! ...restart all non-local as not converged
endif
endif
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end subroutine crystallite_integrateStateAdaptiveEuler
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief integrate stress, state and Temperature with 1st order explicit Euler method
!--------------------------------------------------------------------------------------------------
* new global integer variable "numerics_integrationMode" (1 indicating integration of central solution, 2 indicating integration of perturbed state) * combined "integrator" and "integratorStiffness" in new global variable "numerics_integrator"
2011-02-23 13:59:51 +05:30
subroutine crystallite_integrateStateEuler(gg,ii,ee)
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use numerics, only: numerics_integrationMode, &
numerics_timeSyncing
use debug, only: debug_level, &
debug_crystallite, &
debug_levelBasic, &
debug_levelExtensive, &
debug_levelSelective, &
debug_e, &
debug_i, &
debug_g, &
debug_StateLoopDistribution
use FEsolving, only: FEsolving_execElem, &
FEsolving_execIP
use mesh, only: mesh_element, &
mesh_NcpElems
use material, only: homogenization_Ngrains
use constitutive, only: constitutive_sizeDotState, &
constitutive_state, &
constitutive_subState0, &
constitutive_dotState, &
constitutive_collectDotState, &
constitutive_dotTemperature, &
constitutive_microstructure
implicit none
!*** input variables ***!
integer(pInt), optional, intent(in):: ee, & ! element index
ii, & ! integration point index
gg ! grain index
!*** local variables ***!
integer(pInt) e, & ! element index in element loop
i, & ! integration point index in ip loop
g, & ! grain index in grain loop
mySizeDotState
integer(pInt), dimension(2) :: eIter ! bounds for element iteration
integer(pInt), dimension(2,mesh_NcpElems) :: iIter, & ! bounds for ip iteration
gIter ! bounds for grain iteration
logical singleRun ! flag indicating computation for single (g,i,e) triple
if (present(ee) .and. present(ii) .and. present(gg)) then
eIter = ee
iIter(1:2,ee) = ii
gIter(1:2,ee) = gg
singleRun = .true.
else
eIter = FEsolving_execElem(1:2)
do e = eIter(1),eIter(2)
iIter(1:2,e) = FEsolving_execIP(1:2,e)
gIter(1:2,e) = [1_pInt,homogenization_Ngrains(mesh_element(3,e))]
enddo
singleRun = .false.
endif
!$OMP PARALLEL
if (numerics_integrationMode == 1_pInt) then
! --- DOT STATE AND TEMPERATURE ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, crystallite_Fp, &
crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), crystallite_subFrac, g,i,e)
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Temperature(g,i,e),g,i,e)
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
if ( any(constitutive_dotState(g,i,e)%p/=constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
.or. crystallite_dotTemperature(g,i,e)/=crystallite_dotTemperature(g,i,e) ) then ! NaN occured in dotTemperature
if (.not. crystallite_localPlasticity(g,i,e) .and. .not. numerics_timeSyncing) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
! --- UPDATE STATE AND TEMPERATURE ---
!$OMP DO PRIVATE(mySizeDotState)
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
mySizeDotState = constitutive_sizeDotState(g,i,e)
constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_state(g,i,e)%p(1:mySizeDotState) &
+ constitutive_dotState(g,i,e)%p(1:mySizeDotState) * crystallite_subdt(g,i,e)
crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) &
+ crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
deleted space in front of preprocessor line
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#ifndef _OPENMP
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> update state at el ip g ',e,i,g
write(6,*)
write(6,'(a,/,(12x,12(e12.6,1x)))') '<< CRYST >> dotState', constitutive_dotState(g,i,e)%p(1:mySizeDotState)
write(6,*)
write(6,'(a,/,(12x,12(e12.6,1x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
write(6,*)
endif
deleted space in front of preprocessor line
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#endif
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endif
enddo; enddo; enddo
!$OMP ENDDO
! --- STATE JUMP ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
crystallite_todo(g,i,e) = crystallite_stateJump(g,i,e)
!$OMP FLUSH(crystallite_todo)
if (.not. crystallite_todo(g,i,e) .and. .not. crystallite_localPlasticity(g,i,e) & ! if broken non-local...
.and. .not. numerics_timeSyncing) then
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
! --- UPDATE DEPENDENT STATES ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Fe(1:3,1:3,g,i,e), &
crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
endif
order of integration now same for all state integrators: first calculate the dotState and then the deltaState
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enddo; enddo; enddo
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!$OMP ENDDO
endif
! --- STRESS INTEGRATION ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
crystallite_todo(g,i,e) = crystallite_integrateStress(g,i,e)
!$OMP FLUSH(crystallite_todo)
if (.not. crystallite_todo(g,i,e) .and. .not. crystallite_localPlasticity(g,i,e) & ! if broken non-local...
.and. .not. numerics_timeSyncing) then
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
endif
endif
Depending on which state integrator one uses for the stiffness calculation, the initial state has to be chosen accordingly: e.g. for FPI choose last converged state, but for explicit RK choose converged state from start of increment (in case of explicit euler no state integration at all, but only stress integration). For this purpose we also need to remember "Fe" which now follows the cutbacking procedure as it is used for "Fp".
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enddo; enddo; enddo
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!$OMP ENDDO
! --- SET CONVERGENCE FLAG ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
crystallite_converged(g,i,e) = .true. ! if still "to do" then converged per definitionem
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (distributionState)
debug_StateLoopDistribution(1,numerics_integrationMode) = &
debug_StateLoopDistribution(1,numerics_integrationMode) + 1_pInt
!$OMP END CRITICAL (distributionState)
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP END PARALLEL
! --- CHECK NON-LOCAL CONVERGENCE ---
if (.not. singleRun) then ! if not requesting Integration of just a single IP
if (any(.not. crystallite_converged .and. .not. crystallite_localPlasticity) & ! any non-local not yet converged (or broken)...
.and. .not. numerics_timeSyncing) then
crystallite_converged = crystallite_converged .and. crystallite_localPlasticity ! ...restart all non-local as not converged
endif
endif
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end subroutine crystallite_integrateStateEuler
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
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!--------------------------------------------------------------------------------------------------
!> @brief integrate stress, state and Temperature with adaptive 1st order explicit Euler method
!> using Fixed Point Iteration to adapt the stepsize
!--------------------------------------------------------------------------------------------------
* new global integer variable "numerics_integrationMode" (1 indicating integration of central solution, 2 indicating integration of perturbed state) * combined "integrator" and "integratorStiffness" in new global variable "numerics_integrator"
2011-02-23 13:59:51 +05:30
subroutine crystallite_integrateStateFPI(gg,ii,ee)
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use debug, only: debug_e, &
debug_i, &
debug_g, &
debug_level,&
debug_crystallite, &
debug_levelBasic, &
debug_levelExtensive, &
debug_levelSelective, &
debug_StateLoopDistribution
use numerics, only: nState, &
numerics_integrationMode, &
rTol_crystalliteState, &
rTol_crystalliteTemperature
use FEsolving, only: FEsolving_execElem, &
FEsolving_execIP
use mesh, only: mesh_element, &
mesh_NcpElems
use material, only: homogenization_Ngrains
use constitutive, only: constitutive_subState0, &
constitutive_state, &
constitutive_sizeDotState, &
constitutive_maxSizeDotState, &
constitutive_dotState, &
constitutive_collectDotState, &
constitutive_dotTemperature, &
constitutive_microstructure, &
constitutive_previousDotState, &
constitutive_previousDotState2, &
constitutive_aTolState
implicit none
integer(pInt), optional, intent(in):: ee, & ! element index
ii, & ! integration point index
gg ! grain index
!*** local variables ***!
integer(pInt) NiterationState, & ! number of iterations in state loop
e, & ! element index in element loop
i, & ! integration point index in ip loop
g, & ! grain index in grain loop
mySizeDotState
integer(pInt), dimension(2) :: eIter ! bounds for element iteration
integer(pInt), dimension(2,mesh_NcpElems) :: iIter, & ! bounds for ip iteration
gIter ! bounds for grain iteration
real(pReal) dot_prod12, &
dot_prod22, &
stateDamper, & ! damper for integration of state
temperatureResiduum
real(pReal), dimension(constitutive_maxSizeDotState) :: &
stateResiduum, &
tempState
logical singleRun ! flag indicating computation for single (g,i,e) triple
singleRun = present(ee) .and. present(ii) .and. present(gg)
if (singleRun) then
eIter = ee
iIter(1:2,ee) = ii
gIter(1:2,ee) = gg
else
eIter = FEsolving_execElem(1:2)
do e = eIter(1),eIter(2)
iIter(1:2,e) = FEsolving_execIP(1:2,e)
gIter(1:2,e) = [1_pInt,homogenization_Ngrains(mesh_element(3,e))]
enddo
endif
! --+>> PREGUESS FOR STATE <<+--
!$OMP PARALLEL
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
constitutive_previousDotState(g,i,e)%p = 0.0_pReal
constitutive_previousDotState2(g,i,e)%p = 0.0_pReal
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
enddo; enddo; enddo
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!$OMP ENDDO
! --- DOT STATES ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, crystallite_Fp, &
crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), crystallite_subFrac, g,i,e)
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Temperature(g,i,e),g,i,e)
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
if ( any(constitutive_dotState(g,i,e)%p/=constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
.or. crystallite_dotTemperature(g,i,e)/=crystallite_dotTemperature(g,i,e) ) then ! NaN occured in dotTemperature
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken is a non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals done (and broken)
!$OMP END CRITICAL (checkTodo)
else ! broken one was local...
crystallite_todo(g,i,e) = .false. ! ... done (and broken)
endif
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
! --- UPDATE STATE AND TEMPERATURE ---
!$OMP DO PRIVATE(mySizeDotState)
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
mySizeDotState = constitutive_sizeDotState(g,i,e)
constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_subState0(g,i,e)%p(1:mySizeDotState) &
+ constitutive_dotState(g,i,e)%p * crystallite_subdt(g,i,e)
crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) &
+ crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP END PARALLEL
! --+>> STATE LOOP <<+--
NiterationState = 0_pInt
do while (any(crystallite_todo .and. .not. crystallite_converged) .and. NiterationState < nState ) ! convergence loop for crystallite
NiterationState = NiterationState + 1_pInt
!$OMP PARALLEL
! --- UPDATE DEPENDENT STATES ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Fe(1:3,1:3,g,i,e), &
crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
endif
constitutive_previousDotState2(g,i,e)%p = constitutive_previousDotState(g,i,e)%p ! remember previous dotState
constitutive_previousDotState(g,i,e)%p = constitutive_dotState(g,i,e)%p ! remember current dotState
enddo; enddo; enddo
!$OMP ENDDO
! --- STRESS INTEGRATION ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
crystallite_todo(g,i,e) = crystallite_integrateStress(g,i,e)
!$OMP FLUSH(crystallite_todo)
if (.not. crystallite_todo(g,i,e) .and. .not. crystallite_localPlasticity(g,i,e)) then ! broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ... then all non-locals skipped
!$OMP END CRITICAL (checkTodo)
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP SINGLE
!$OMP CRITICAL (write2out)
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) then
write(6,'(a,i8,a)') '<< CRYST >> ', count(crystallite_todo(:,:,:)),' grains todo after stress integration'
endif
!$OMP END CRITICAL (write2out)
!$OMP END SINGLE
! --- DOT STATE AND TEMPERATURE ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, crystallite_Fp, &
crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), crystallite_subFrac, g,i,e)
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Temperature(g,i,e),g,i,e)
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
if ( any(constitutive_dotState(g,i,e)%p/=constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
.or. crystallite_dotTemperature(g,i,e)/=crystallite_dotTemperature(g,i,e) ) then ! NaN occured in dotTemperature
crystallite_todo(g,i,e) = .false. ! ... skip me next time
if (.not. crystallite_localPlasticity(g,i,e)) then ! if me is non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
endif
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
! --- UPDATE STATE AND TEMPERATURE ---
!$OMP DO PRIVATE(dot_prod12,dot_prod22,statedamper,mySizeDotState,stateResiduum,temperatureResiduum,tempState)
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
! --- state damper ---
dot_prod12 = dot_product( constitutive_dotState(g,i,e)%p - constitutive_previousDotState(g,i,e)%p, &
constitutive_previousDotState(g,i,e)%p - constitutive_previousDotState2(g,i,e)%p )
dot_prod22 = dot_product( constitutive_previousDotState(g,i,e)%p - constitutive_previousDotState2(g,i,e)%p, &
constitutive_previousDotState(g,i,e)%p - constitutive_previousDotState2(g,i,e)%p )
if ( dot_prod22 > 0.0_pReal &
.and. ( dot_prod12 < 0.0_pReal &
.or. dot_product(constitutive_dotState(g,i,e)%p, constitutive_previousDotState(g,i,e)%p) < 0.0_pReal) ) then
statedamper = 0.75_pReal + 0.25_pReal * tanh(2.0_pReal + 4.0_pReal * dot_prod12 / dot_prod22)
else
statedamper = 1.0_pReal
endif
! --- get residui ---
mySizeDotState = constitutive_sizeDotState(g,i,e)
stateResiduum(1:mySizeDotState) = constitutive_state(g,i,e)%p(1:mySizeDotState) &
- constitutive_subState0(g,i,e)%p(1:mySizeDotState) &
- (constitutive_dotState(g,i,e)%p * statedamper &
+ constitutive_previousDotState(g,i,e)%p * (1.0_pReal - statedamper)) * crystallite_subdt(g,i,e)
temperatureResiduum = crystallite_Temperature(g,i,e) &
- crystallite_subTemperature0(g,i,e) &
- crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
! --- correct state and temperature with residuum ---
tempState(1:mySizeDotState) = constitutive_state(g,i,e)%p(1:mySizeDotState) - stateResiduum(1:mySizeDotState) ! need to copy to local variable, since we cant flush a pointer in openmp
crystallite_Temperature(g,i,e) = crystallite_Temperature(g,i,e) - temperatureResiduum
!$OMP FLUSH(crystallite_Temperature)
instantaneous jumps in the state by constitutive_deltaState are now incorporated for all state integrators. still they (should) not influence the result, since all constitutive laws simply return zero for the deltaState
2012-05-17 20:55:21 +05:30
#ifndef _OPENMP
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt &
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> update state at el ip g ',e,i,g
write(6,*)
write(6,'(a,f6.1)') '<< CRYST >> statedamper ',statedamper
write(6,*)
write(6,'(a,/,(12x,12(e12.6,1x)))') '<< CRYST >> state residuum',stateResiduum(1:mySizeDotState)
write(6,*)
write(6,'(a,/,(12x,12(e12.6,1x)))') '<< CRYST >> new state',tempState(1:mySizeDotState)
write(6,*)
endif
instantaneous jumps in the state by constitutive_deltaState are now incorporated for all state integrators. still they (should) not influence the result, since all constitutive laws simply return zero for the deltaState
2012-05-17 20:55:21 +05:30
#endif
doxygen comments
2013-02-22 04:38:36 +05:30
! --- store corrected dotState --- (cannot do this before state update, because not sure how to flush pointers in openmp)
constitutive_dotState(g,i,e)%p = constitutive_dotState(g,i,e)%p * statedamper &
+ constitutive_previousDotState(g,i,e)%p * (1.0_pReal - statedamper)
! --- converged ? ---
if ( all( abs(stateResiduum(1:mySizeDotState)) < constitutive_aTolState(g,i,e)%p(1:mySizeDotState) &
.or. abs(stateResiduum(1:mySizeDotState)) < rTol_crystalliteState &
* abs(tempState(1:mySizeDotState)) ) &
.and. (abs(temperatureResiduum) < rTol_crystalliteTemperature * crystallite_Temperature(g,i,e) &
.or. crystallite_Temperature(g,i,e) == 0.0_pReal) ) then
crystallite_converged(g,i,e) = .true. ! ... converged per definitionem
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (distributionState)
debug_StateLoopDistribution(NiterationState,numerics_integrationMode) = &
debug_StateLoopDistribution(NiterationState,numerics_integrationMode) + 1_pInt
!$OMP END CRITICAL (distributionState)
endif
endif
constitutive_state(g,i,e)%p(1:mySizeDotState) = tempState(1:mySizeDotState) ! copy local backup to global pointer
endif
enddo; enddo; enddo
!$OMP ENDDO
! --- STATE JUMP ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e) .and. crystallite_converged(g,i,e)) then ! converged and still alive...
crystallite_todo(g,i,e) = crystallite_stateJump(g,i,e)
!$OMP FLUSH(crystallite_todo)
if (.not. crystallite_todo(g,i,e)) then ! if state jump fails, then convergence is broken
crystallite_converged(g,i,e) = .false.
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
endif
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP END PARALLEL
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) then
!$OMP CRITICAL(write2out)
write(6,'(a,i8,a,i2)') '<< CRYST >> ', count(crystallite_converged(:,:,:)), &
' grains converged after state integration no. ', NiterationState
write(6,*)
!$OMP END CRITICAL(write2out)
endif
! --- NON-LOCAL CONVERGENCE CHECK ---
if (.not. singleRun) then ! if not requesting Integration of just a single IP
if (any(.not. crystallite_converged .and. .not. crystallite_localPlasticity)) then ! any non-local not yet converged (or broken)...
crystallite_converged = crystallite_converged .and. crystallite_localPlasticity ! ...restart all non-local as not converged
endif
endif
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) then
!$OMP CRITICAL(write2out)
write(6,'(a,i8,a)') '<< CRYST >> ', count(crystallite_converged(:,:,:)),' grains converged after non-local check'
write(6,'(a,i8,a,i2)') '<< CRYST >> ', count(crystallite_todo(:,:,:)),' grains todo after state integration no. ',&
NiterationState
write(6,*)
!$OMP END CRITICAL(write2out)
endif
enddo ! crystallite convergence loop
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end subroutine crystallite_integrateStateFPI
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
doxygen comments
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!--------------------------------------------------------------------------------------------------
!> @brief calculates a jump in the state according to the current state and the current stress
!--------------------------------------------------------------------------------------------------
new function stateJump, which takes care of immediate changes in the state (deltaState); this introduces discontinuities in the state evolution; therefore this is always and only once done after each integration step, so no evaluation of deltaState for intermediate steps of e.g. the Runge-Kutta integrator; otherwise integration becomes a pain without significant gain in accuracy deltaState now successfully tested for nonlocal model; was not correct for integrators 1,4,5 before
2012-06-06 20:41:30 +05:30
function crystallite_stateJump(g,i,e)
doxygen comments
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use debug, only: debug_level, &
debug_crystallite, &
debug_levelExtensive, &
debug_levelSelective, &
debug_e, &
debug_i, &
debug_g
use FEsolving, only: FEsolving_execElem, &
FEsolving_execIP
use mesh, only: mesh_element, &
mesh_NcpElems
use material, only: homogenization_Ngrains
use constitutive, only: constitutive_sizeDotState, &
constitutive_state, &
constitutive_deltaState, &
constitutive_collectDeltaState, &
constitutive_microstructure
implicit none
integer(pInt), intent(in):: e, & ! element index
i, & ! integration point index
g ! grain index
!*** output variables ***!
logical crystallite_stateJump
!*** local variables ***!
integer(pInt) mySizeDotState
crystallite_stateJump = .false.
call constitutive_collectDeltaState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Temperature(g,i,e), g,i,e)
mySizeDotState = constitutive_sizeDotState(g,i,e)
if (any(constitutive_deltaState(g,i,e)%p(1:mySizeDotState) /= constitutive_deltaState(g,i,e)%p(1:mySizeDotState))) then
return
endif
constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_state(g,i,e)%p(1:mySizeDotState) &
+ constitutive_deltaState(g,i,e)%p(1:mySizeDotState)
new function stateJump, which takes care of immediate changes in the state (deltaState); this introduces discontinuities in the state evolution; therefore this is always and only once done after each integration step, so no evaluation of deltaState for intermediate steps of e.g. the Runge-Kutta integrator; otherwise integration becomes a pain without significant gain in accuracy deltaState now successfully tested for nonlocal model; was not correct for integrators 1,4,5 before
2012-06-06 20:41:30 +05:30
#ifndef _OPENMP
doxygen comments
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if (any(constitutive_deltaState(g,i,e)%p(1:mySizeDotState) /= 0.0_pReal) &
.and. iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> update state at el ip g ',e,i,g
write(6,*)
write(6,'(a,/,(12x,12(e12.6,1x)))') '<< CRYST >> deltaState', constitutive_deltaState(g,i,e)%p(1:mySizeDotState)
write(6,*)
write(6,'(a,/,(12x,12(e12.6,1x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
write(6,*)
endif
new function stateJump, which takes care of immediate changes in the state (deltaState); this introduces discontinuities in the state evolution; therefore this is always and only once done after each integration step, so no evaluation of deltaState for intermediate steps of e.g. the Runge-Kutta integrator; otherwise integration becomes a pain without significant gain in accuracy deltaState now successfully tested for nonlocal model; was not correct for integrators 1,4,5 before
2012-06-06 20:41:30 +05:30
#endif
doxygen comments
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crystallite_stateJump = .true.
new function stateJump, which takes care of immediate changes in the state (deltaState); this introduces discontinuities in the state evolution; therefore this is always and only once done after each integration step, so no evaluation of deltaState for intermediate steps of e.g. the Runge-Kutta integrator; otherwise integration becomes a pain without significant gain in accuracy deltaState now successfully tested for nonlocal model; was not correct for integrators 1,4,5 before
2012-06-06 20:41:30 +05:30
end function crystallite_stateJump
doxygen comments
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!--------------------------------------------------------------------------------------------------
!> @brief calculation of stress (P) with time integration based on a residuum in Lp and
!> intermediate acceleration of the Newton-Raphson correction
!--------------------------------------------------------------------------------------------------
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-((( * also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 22:52:48 +05:30
function crystallite_integrateStress(&
doxygen comments
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g,& ! grain number
i,& ! integration point number
e,& ! element number
timeFraction &
)
use prec, only: pLongInt
use numerics, only: nStress, &
aTol_crystalliteStress, &
rTol_crystalliteStress, &
iJacoLpresiduum, &
numerics_integrationMode
use debug, only: debug_level, &
debug_crystallite, &
debug_levelBasic, &
debug_levelExtensive, &
debug_levelSelective, &
debug_e, &
debug_i, &
debug_g, &
debug_cumLpCalls, &
debug_cumLpTicks, &
debug_StressLoopDistribution
use constitutive, only: constitutive_LpAndItsTangent, &
constitutive_TandItsTangent, &
constitutive_homogenizedC
use math, only: math_mul33x33, &
math_mul33xx33, &
math_mul66x6, &
math_mul99x99, &
math_transpose33, &
math_inv33, &
math_invert33, &
math_invert, &
math_det33, &
math_norm33, &
math_I3, &
math_identity2nd, &
math_Mandel66to3333, &
math_Mandel6to33, &
math_Mandel33to6, &
math_Plain3333to99, &
math_Plain33to9, &
math_Plain9to33
implicit none
integer(pInt), intent(in):: e, & ! element index
i, & ! integration point index
g ! grain index
real(pReal), optional, intent(in) :: timeFraction ! fraction of timestep
!*** output variables ***!
logical crystallite_integrateStress ! flag indicating if integration suceeded
!*** local variables ***!
real(pReal), dimension(3,3):: Fg_new, & ! deformation gradient at end of timestep
Fp_current, & ! plastic deformation gradient at start of timestep
Fp_new, & ! plastic deformation gradient at end of timestep
Fe_new, & ! elastic deformation gradient at end of timestep
invFp_new, & ! inverse of Fp_new
invFp_current, & ! inverse of Fp_current
Lpguess, & ! current guess for plastic velocity gradient
Lpguess_old, & ! known last good guess for plastic velocity gradient
Lp_constitutive, & ! plastic velocity gradient resulting from constitutive law
residuum, & ! current residuum of plastic velocity gradient
residuum_old, & ! last residuum of plastic velocity gradient
deltaLp, & ! direction of next guess
Tstar,& ! 2nd Piola-Kirchhoff Stress
A,&
B, &
Fe ! elastic deformation gradient
real(pReal), dimension(6):: Tstar_v ! 2nd Piola-Kirchhoff Stress in Mandel-Notation
real(pReal), dimension(9):: work ! needed for matrix inversion by LAPACK
integer(pInt), dimension(9) :: ipiv ! needed for matrix inversion by LAPACK
real(pReal), dimension(9,9) :: dLp_dT_constitutive, & ! partial derivative of plastic velocity gradient calculated by constitutive law
dT_dFe_constitutive, & ! partial derivative of 2nd Piola-Kirchhoff stress calculated by constitutive law
dFe_dLp, & ! partial derivative of elastic deformation gradient
dR_dLp, & ! partial derivative of residuum (Jacobian for NEwton-Raphson scheme)
dR_dLp2 ! working copy of dRdLp
real(pReal), dimension(3,3,3,3):: dT_dFe3333, & ! partial derivative of 2nd Piola-Kirchhoff stress
dFe_dLp3333 ! partial derivative of elastic deformation gradient
real(pReal) p_hydro, & ! volumetric part of 2nd Piola-Kirchhoff Stress
det, & ! determinant
steplength0, &
steplength, &
dt, & ! time increment
aTol
logical error ! flag indicating an error
integer(pInt) NiterationStress, & ! number of stress integrations
ierr, & ! error indicator for LAPACK
n, &
o, &
p, &
jacoCounter ! counter to check for Jacobian update
integer(pLongInt) tick, &
tock, &
tickrate, &
maxticks
external :: dgesv
!* be pessimistic
crystallite_integrateStress = .false.
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
#ifndef _OPENMP
doxygen comments
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> integrateStress at el ip g ',e,i,g
endif
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
#endif
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
doxygen comments
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!* only integrate over fraction of timestep?
if (present(timeFraction)) then
dt = crystallite_subdt(g,i,e) * timeFraction
Fg_new = crystallite_subF0(1:3,1:3,g,i,e) + (crystallite_subF(1:3,1:3,g,i,e) - crystallite_subF0(1:3,1:3,g,i,e)) * timeFraction
else
dt = crystallite_subdt(g,i,e)
Fg_new = crystallite_subF(1:3,1:3,g,i,e)
endif
!* feed local variables
Fp_current = crystallite_subFp0(1:3,1:3,g,i,e) ! "Fp_current" is only used as temp var here...
Lpguess_old = crystallite_Lp(1:3,1:3,g,i,e) ! consider present Lp good (i.e. worth remembering) ...
Lpguess = crystallite_Lp(1:3,1:3,g,i,e) ! ... and take it as first guess
!* inversion of Fp_current...
invFp_current = math_inv33(Fp_current)
if (all(invFp_current == 0.0_pReal)) then ! ... failed?
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
#ifndef _OPENMP
doxygen comments
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> integrateStress failed on inversion of Fp_current at el ip g ',e,i,g
if (iand(debug_level(debug_crystallite), debug_levelExtensive) > 0_pInt) then
write(6,*)
write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> Fp_current',math_transpose33(Fp_current(1:3,1:3))
endif
endif
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
#endif
doxygen comments
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return
endif
A = math_mul33x33(Fg_new,invFp_current) ! intermediate tensor needed later to calculate dFe_dLp
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!* start LpLoop with normal step length
NiterationStress = 0_pInt
jacoCounter = 0_pInt
steplength0 = 1.0_pReal
steplength = steplength0
residuum_old = 0.0_pReal
LpLoop: do
NiterationStress = NiterationStress + 1_pInt
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!* too many loops required ?
if (NiterationStress > nStress) then
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
#ifndef _OPENMP
doxygen comments
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
write(6,'(a,i3,a,i8,1x,i2,1x,i3)') '<< CRYST >> integrateStress reached loop limit',nStress,' at el ip g ',e,i,g
write(6,*)
endif
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
#endif
doxygen comments
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return
endif
!* calculate (elastic) 2nd Piola--Kirchhoff stress tensor and its tangent from constitutive law
B = math_I3 - dt*Lpguess
Fe = math_mul33x33(A,B) ! current elastic deformation tensor
call constitutive_TandItsTangent(Tstar, dT_dFe3333, Fe, g,i,e) ! call constitutive law to calculate 2nd Piola-Kirchhoff stress and its derivative
Tstar_v = math_Mandel33to6(Tstar)
p_hydro = sum(Tstar_v(1:3)) / 3.0_pReal
forall(n=1_pInt:3_pInt) Tstar_v(n) = Tstar_v(n) - p_hydro ! get deviatoric stress tensor
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!* calculate plastic velocity gradient and its tangent from constitutive law
* enclose wall time measurement for LpAndItsTangent and count of leapfrogbreaks by CRITICAL construct * better use SINGLE (having an implicit barrier at the end) instead of MASTER construct * deleted all explicit BARRIERs after do loops since parallel loop construct implies barrier at the end
2010-11-19 22:59:29 +05:30
doxygen comments
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) &
call system_clock(count=tick,count_rate=tickrate,count_max=maxticks)
call constitutive_LpAndItsTangent(Lp_constitutive, dLp_dT_constitutive, Tstar_v, crystallite_Temperature(g,i,e), g, i, e)
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
call system_clock(count=tock,count_rate=tickrate,count_max=maxticks)
!$OMP CRITICAL (debugTimingLpTangent)
debug_cumLpCalls = debug_cumLpCalls + 1_pInt
debug_cumLpTicks = debug_cumLpTicks + tock-tick
!$OMP FLUSH (debug_cumLpTicks)
if (tock < tick) debug_cumLpTicks = debug_cumLpTicks + maxticks
!$OMP END CRITICAL (debugTimingLpTangent)
endif
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
#ifndef _OPENMP
doxygen comments
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
write(6,'(a,i3)') '<< CRYST >> iteration ', NiterationStress
write(6,*)
write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Lp_constitutive', math_transpose33(Lp_constitutive)
write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Lpguess', math_transpose33(Lpguess)
endif
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
#endif
doxygen comments
2013-02-22 04:38:36 +05:30
!* update current residuum and check for convergence of loop
aTol = max(rTol_crystalliteStress * max(math_norm33(Lpguess),math_norm33(Lp_constitutive)), & ! absolute tolerance from largest acceptable relative error
aTol_crystalliteStress) ! minimum lower cutoff
residuum = Lpguess - Lp_constitutive
if (any(residuum /= residuum)) then ! NaN in residuum...
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
#ifndef _OPENMP
doxygen comments
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
write(6,'(a,i8,1x,i2,1x,i3,a,i3,a)') '<< CRYST >> integrateStress encountered NaN at el ip g ',e,i,g,&
' ; iteration ', NiterationStress,&
' >> returning..!'
endif
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
#endif
doxygen comments
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return ! ...me = .false. to inform integrator about problem
elseif (math_norm33(residuum) < aTol) then ! converged if below absolute tolerance
exit LpLoop ! ...leave iteration loop
elseif (math_norm33(residuum) < math_norm33(residuum_old) .or. NiterationStress == 1_pInt ) then ! not converged, but improved norm of residuum (always proceed in first iteration)...
residuum_old = residuum ! ...remember old values and...
Lpguess_old = Lpguess
steplength = steplength0 ! ...proceed with normal step length (calculate new search direction)
else ! not converged and residuum not improved...
steplength = 0.5_pReal * steplength ! ...try with smaller step length in same direction
Lpguess = Lpguess_old + steplength * deltaLp
cycle LpLoop
endif
!* calculate Jacobian for correction term
if (mod(jacoCounter, iJacoLpresiduum) == 0_pInt) then
dFe_dLp3333 = 0.0_pReal
do o=1_pInt,3_pInt; do p=1_pInt,3_pInt
dFe_dLp3333(p,o,1:3,p) = A(o,1:3) ! dFe_dLp(i,j,k,l) = -dt * A(i,k) delta(j,l)
enddo; enddo
dFe_dLp3333 = -dt * dFe_dLp3333
dFe_dLp = math_Plain3333to99(dFe_dLp3333)
dT_dFe_constitutive = math_Plain3333to99(dT_dFe3333)
dR_dLp = math_identity2nd(9_pInt) - &
math_mul99x99(dLp_dT_constitutive, math_mul99x99(dT_dFe_constitutive , dFe_dLp))
dR_dLp2 = dR_dLp ! will be overwritten in first call to LAPACK routine
work = math_plain33to9(residuum)
substituted hand written matrix inversion by LAPACK version with precision selection. also introduced check for inversion into DAMASK_spectral_Utilities.f90 for the stress BC calculation. This part is further improved by using 5% of the reference stiffness to avoid trouble in the fully plastic regime (where the stiffness is underestimated) Test for Marc 2010 is updated because the new inversion give slightly different results near 0 (order of e-13)
2012-08-28 22:29:45 +05:30
#if(FLOAT==8)
doxygen comments
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call dgesv(9,1,dR_dLp2,9,ipiv,work,9,ierr) ! solve dR/dLp * delta Lp = -res for dR/dLp
substituted hand written matrix inversion by LAPACK version with precision selection. also introduced check for inversion into DAMASK_spectral_Utilities.f90 for the stress BC calculation. This part is further improved by using 5% of the reference stiffness to avoid trouble in the fully plastic regime (where the stiffness is underestimated) Test for Marc 2010 is updated because the new inversion give slightly different results near 0 (order of e-13)
2012-08-28 22:29:45 +05:30
#elif(FLOAT==4)
doxygen comments
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call sgesv(9,1,dR_dLp2,9,ipiv,work,9,ierr) ! solve dR/dLp * delta Lp = -res for dR/dLp
substituted hand written matrix inversion by LAPACK version with precision selection. also introduced check for inversion into DAMASK_spectral_Utilities.f90 for the stress BC calculation. This part is further improved by using 5% of the reference stiffness to avoid trouble in the fully plastic regime (where the stiffness is underestimated) Test for Marc 2010 is updated because the new inversion give slightly different results near 0 (order of e-13)
2012-08-28 22:29:45 +05:30
#endif
doxygen comments
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if (ierr /= 0_pInt) then
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
#ifndef _OPENMP
doxygen comments
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
write(6,'(a,i8,1x,i2,1x,i3,a,i3)') '<< CRYST >> integrateStress failed on dR/dLp inversion at el ip g ',e,i,g
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g)&
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
write(6,*)
write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dR_dLp',transpose(dR_dLp)
write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dFe_dLp',transpose(dFe_dLp)
write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dT_dFe_constitutive',transpose(dT_dFe_constitutive)
write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dLp_dT_constitutive',transpose(dLp_dT_constitutive)
write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> A',math_transpose33(A)
write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> B',math_transpose33(B)
write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Lp_constitutive',math_transpose33(Lp_constitutive)
write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Lpguess',math_transpose33(Lpguess)
endif
endif
Stress integration now uses Armijo rule to find an appropriate correction of Lp: decreases step in case that residuum does not improve significantly, accelerates as usual in case of good convergence. This turned out to improve convergence behavior.
2011-08-02 16:59:08 +05:30
#endif
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return
endif
deltaLp = - math_plain9to33(work)
endif
jacoCounter = jacoCounter + 1_pInt ! increase counter for jaco update
Lpguess = Lpguess + steplength * deltaLp
enddo LpLoop
!* calculate new plastic and elastic deformation gradient
invFp_new = math_mul33x33(invFp_current,B)
invFp_new = invFp_new/math_det33(invFp_new)**(1.0_pReal/3.0_pReal) ! regularize by det
call math_invert33(invFp_new,Fp_new,det,error)
if (error .or. any(Fp_new/=Fp_new)) then
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
#ifndef _OPENMP
doxygen comments
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
write(6,'(a,i8,1x,i2,1x,i3,a,i3)') '<< CRYST >> integrateStress failed on invFp_new inversion at el ip g ',&
e,i,g, ' ; iteration ', NiterationStress
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
write(6,*)
write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> invFp_new',math_transpose33(invFp_new)
endif
endif
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
#endif
doxygen comments
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return
endif
Fe_new = math_mul33x33(Fg_new,invFp_new) ! calc resulting Fe
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!* add volumetric component to 2nd Piola-Kirchhoff stress and calculate 1st Piola-Kirchhoff stress
forall (n=1_pInt:3_pInt) Tstar_v(n) = Tstar_v(n) + p_hydro
crystallite_P(1:3,1:3,g,i,e) = math_mul33x33(Fe_new, math_mul33x33(math_Mandel6to33(Tstar_v), math_transpose33(invFp_new)))
!* store local values in global variables
crystallite_Lp(1:3,1:3,g,i,e) = Lpguess
crystallite_Tstar_v(1:6,g,i,e) = Tstar_v
crystallite_Fp(1:3,1:3,g,i,e) = Fp_new
crystallite_Fe(1:3,1:3,g,i,e) = Fe_new
crystallite_invFp(1:3,1:3,g,i,e) = invFp_new
!* set return flag to true
crystallite_integrateStress = .true.
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
#ifndef _OPENMP
doxygen comments
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if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt &
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> P / MPa',math_transpose33(crystallite_P(1:3,1:3,g,i,e))/1.0e6_pReal
write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> Cauchy / MPa', &
math_mul33x33(crystallite_P(1:3,1:3,g,i,e), math_transpose33(Fg_new)) / 1.0e6_pReal / math_det33(Fg_new)
write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> Fe Lp Fe^-1', &
math_transpose33(math_mul33x33(Fe_new, math_mul33x33(crystallite_Lp(1:3,1:3,g,i,e), math_inv33(Fe_new)))) ! transpose to get correct print out order
write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> Fp',math_transpose33(crystallite_Fp(1:3,1:3,g,i,e))
endif
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 12:57:19 +05:30
#endif
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
doxygen comments
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (distributionStress)
debug_StressLoopDistribution(NiterationStress,numerics_integrationMode) = &
debug_StressLoopDistribution(NiterationStress,numerics_integrationMode) + 1_pInt
!$OMP END CRITICAL (distributionStress)
endif
end function crystallite_integrateStress
restructured stress integration. Double loop for stress integration (Lp and stress) with cutback step in IntegrateStress is replaced by single loop for Lp without cutback. loop counter and limits are accordingly renamed and implemented
2009-05-28 22:08:40 +05:30
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief calculates orientations and disorientations (in case of single grain ips)
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
subroutine crystallite_orientations
doxygen comments
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use math, only: math_pDecomposition, &
math_RtoQ, &
math_qDisorientation, &
math_qConj
use FEsolving, only: FEsolving_execElem, &
FEsolving_execIP
use IO, only: IO_warning
use material, only: material_phase, &
homogenization_Ngrains, &
phase_localPlasticity, &
phase_plasticityInstance
use mesh, only: mesh_element, &
mesh_ipNeighborhood, &
FE_NipNeighbors, &
FE_geomtype
use constitutive_nonlocal, only: constitutive_nonlocal_structure, &
constitutive_nonlocal_updateCompatibility
implicit none
integer(pInt) e, & ! element index
i, & ! integration point index
g, & ! grain index
n, & ! neighbor index
neighboring_e, & ! element index of my neighbor
neighboring_i, & ! integration point index of my neighbor
myPhase, & ! phase
neighboringPhase, &
myInstance, & ! instance of plasticity
neighboringInstance, &
myStructure, & ! lattice structure
neighboringStructure
real(pReal), dimension(3,3) :: U, R
real(pReal), dimension(4) :: orientation
logical error
! --- CALCULATE ORIENTATION AND LATTICE ROTATION ---
!$OMP PARALLEL DO PRIVATE(error,U,R,orientation)
do e = FEsolving_execElem(1),FEsolving_execElem(2)
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do g = 1_pInt,homogenization_Ngrains(mesh_element(3,e))
added shortcuts for two do loops in the "timesyncing" procedure math_pDecomposition enclosed by omp critical statement; somehow, this subroutine is not thread safe, not clear what exactly the problem is
2013-02-27 16:02:37 +05:30
!$OMP CRITICAL (polarDecomp) ! somehow this subroutine is not threadsafe, so need critical statement here; not clear, what exactly the problem is
call math_pDecomposition(crystallite_Fe(1:3,1:3,g,i,e), U, R, error) ! polar decomposition of Fe
!$OMP END CRITICAL (polarDecomp)
doxygen comments
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if (error) then
call IO_warning(650_pInt, e, i, g)
added shortcuts for two do loops in the "timesyncing" procedure math_pDecomposition enclosed by omp critical statement; somehow, this subroutine is not thread safe, not clear what exactly the problem is
2013-02-27 16:02:37 +05:30
orientation = [1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal] ! fake orientation
doxygen comments
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else
orientation = math_RtoQ(transpose(R))
endif
crystallite_rotation(1:4,g,i,e) = math_qDisorientation(crystallite_orientation0(1:4,g,i,e), & ! active rotation from ori0
added shortcuts for two do loops in the "timesyncing" procedure math_pDecomposition enclosed by omp critical statement; somehow, this subroutine is not thread safe, not clear what exactly the problem is
2013-02-27 16:02:37 +05:30
orientation, & ! to current orientation
0_pInt ) ! we don't want symmetry here
doxygen comments
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crystallite_orientation(1:4,g,i,e) = orientation
enddo
enddo
enddo
!$OMP END PARALLEL DO
! --- UPDATE SOME ADDITIONAL VARIABLES THAT ARE NEEDED FOR NONLOCAL MATERIAL ---
! --- we use crystallite_orientation from above, so need a seperate loop
!$OMP PARALLEL DO PRIVATE(myPhase,myInstance,myStructure,neighboring_e,neighboring_i,neighboringPhase,&
!$OMP neighboringInstance,neighboringStructure)
do e = FEsolving_execElem(1),FEsolving_execElem(2)
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
myPhase = material_phase(1,i,e) ! get my phase
if (.not. phase_localPlasticity(myPhase)) then ! if nonlocal model
myInstance = phase_plasticityInstance(myPhase)
myStructure = constitutive_nonlocal_structure(myInstance) ! get my crystal structure
! --- calculate disorientation between me and my neighbor ---
do n = 1_pInt,FE_NipNeighbors(FE_geomtype(mesh_element(2,e))) ! loop through my neighbors
neighboring_e = mesh_ipNeighborhood(1,n,i,e)
neighboring_i = mesh_ipNeighborhood(2,n,i,e)
if ((neighboring_e > 0) .and. (neighboring_i > 0)) then ! if neighbor exists
neighboringPhase = material_phase(1,neighboring_i,neighboring_e) ! get my neighbor's phase
if (.not. phase_localPlasticity(neighboringPhase)) then ! neighbor got also nonlocal plasticity
neighboringInstance = phase_plasticityInstance(neighboringPhase)
neighboringStructure = constitutive_nonlocal_structure(neighboringInstance) ! get my neighbor's crystal structure
if (myStructure == neighboringStructure) then ! if my neighbor has same crystal structure like me
crystallite_disorientation(:,n,1,i,e) = &
math_qDisorientation( crystallite_orientation(1:4,1,i,e), &
crystallite_orientation(1:4,1,neighboring_i,neighboring_e), &
crystallite_symmetryID(1,i,e)) ! calculate disorientation
else ! for neighbor with different phase
crystallite_disorientation(:,n,1,i,e) = (/0.0_pReal, 1.0_pReal, 0.0_pReal, 0.0_pReal/) ! 180 degree rotation about 100 axis
endif
else ! for neighbor with local plasticity
crystallite_disorientation(:,n,1,i,e) = (/-1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal/) ! homomorphic identity
endif
else ! no existing neighbor
crystallite_disorientation(:,n,1,i,e) = (/-1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal/) ! homomorphic identity
endif
enddo
! --- calculate compatibility and transmissivity between me and my neighbor ---
call constitutive_nonlocal_updateCompatibility(crystallite_orientation,i,e)
endif
enddo
enddo
!$OMP END PARALLEL DO
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end subroutine crystallite_orientations
new subroutine crystallite_orientations: calculates the orientation matrix and the euler angles and - in case of single grain ips - the misorientation for each neighboring ip. The calculation of the misorientation is now done once in crystallite init and at the end of every FE increment. This saves a lot of time compared to doing it in dotState for every crystallite subinc.
2009-12-18 21:16:33 +05:30
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief return results of particular grain
!--------------------------------------------------------------------------------------------------
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
function crystallite_postResults(&
dt,& ! time increment
g,& ! grain number
i,& ! integration point number
e & ! element number
)
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
use math, only: math_qToEuler, &
math_qToAxisAngle, &
added some output variables in crystallite: F, Fe, Fp, Ee, P, S
2010-05-18 13:27:13 +05:30
math_mul33x33, &
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
math_transpose33, &
math_det33, &
added some output variables in crystallite: F, Fe, Fp, Ee, P, S
2010-05-18 13:27:13 +05:30
math_I3, &
inDeg, &
new crystallite output "grainrotationX", "grainrotationY", "grainrotationZ" that gives the deviation of the initial orientation in degrees around the sample reference x/y/z axis, while "grainrotation" still gives the same as axis angle pair in crystal coordinates
2013-01-16 14:15:41 +05:30
math_Mandel6to33, &
math_qMul, &
math_qConj
Calculation of current ip volumes now working. Crystallite output also reflects current grain volume, not reference volume. However, this is only available for Marc. Abaqus and spectral method still return the reference ip volume. The ip coordinates though are correctly updated for all solver types.
2011-08-10 22:07:17 +05:30
use mesh, only: mesh_element, &
mesh_ipVolume
reworked crystallite part to allow for flexible user output --> new "crystallite" part in config file --> new "crystallite" option for microstructures --> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 23:09:11 +05:30
use material, only: microstructure_crystallite, &
crystallite_Noutput, &
material_phase, &
added "texture " as possible crystallite output => reports ID for later discrimination...
2011-03-22 19:10:27 +05:30
material_texture, &
Calculation of current ip volumes now working. Crystallite output also reflects current grain volume, not reference volume. However, this is only available for Marc. Abaqus and spectral method still return the reference ip volume. The ip coordinates though are correctly updated for all solver types.
2011-08-10 22:07:17 +05:30
homogenization_Ngrains
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
use constitutive, only: constitutive_sizePostResults, &
added elastic stiffness matrix as crystallite output
2012-03-01 18:36:09 +05:30
constitutive_postResults, &
constitutive_homogenizedC
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
implicit none
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
integer(pInt), intent(in):: e, & ! element index
i, & ! integration point index
g ! grain index
constitutive_nonlocal: - read in activation energy for dislocation glide from material.config - changed naming of dDipMin/Max to dLower/dUpper - added new outputs: rho_dot, rho_dot_dip, rho_dot_gen, rho_dot_sgl2dip, rho_dot_dip2sgl, rho_dot_ann_ath, rho_dot_ann_the, rho_dot_flux, d_upper_edge, d_upper_screw, d_upper_dot_edge, d_upper_dot_screw - poisson's ratio is now calculated from elastic constants - microstrucutre has state as first argument, since this is our output variable - periodic boundary conditions are taken into account for fluxes and internal stresses. for the moment, flag has to be set in constitutive_nonlocal. - corrected calculation for dipole formation by glide - added terms for dipole formation/annihilation by stress decrease/increase constitutive: - passing of arguments is adapted for constitutive_nonlocal model crystallite: - in stiffness calculation: call to collect_dotState used wrong arguments - crystallite_postResults uses own Tstar_v and temperature, no need for passing them from materialpoint_postResults homogenization: - crystallite_postResults uses own Tstar_v and temperature, no need for passing them from materialpoint_postResults IO: - changed error message 229 material.config: - changed example for nonlocal constitution according to constitutive_nonlocal all: - added some flush statements
2009-10-20 20:06:03 +05:30
real(pReal), intent(in):: dt ! time increment
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
!*** output variables ***!
reworked crystallite part to allow for flexible user output --> new "crystallite" part in config file --> new "crystallite" option for microstructures --> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 23:09:11 +05:30
real(pReal), dimension(1+crystallite_sizePostResults(microstructure_crystallite(mesh_element(4,e)))+ &
1+constitutive_sizePostResults(g,i,e)) :: crystallite_postResults
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. also updated the corresponding stuctograms in the documentation
2009-06-09 16:35:29 +05:30
!*** local variables ***!
sorry, in rev 568 some variables were not declared in crystallite_postResults
2010-05-18 18:06:09 +05:30
real(pReal), dimension(3,3) :: Ee
new crystallite output "grainrotationX", "grainrotationY", "grainrotationZ" that gives the deviation of the initial orientation in degrees around the sample reference x/y/z axis, while "grainrotation" still gives the same as axis angle pair in crystal coordinates
2013-01-16 14:15:41 +05:30
real(pReal), dimension(4) :: rotation
ip volume is now based on the determinant of F. "mesh_ipVolume" represents the initial volume and is multiplied with det(F) wherever the current volume is needed. Since this works for all solver types, the "volume" output in crystallite is now also correct for spectral method and abaqus.
2011-08-19 16:48:56 +05:30
real(pReal) detF
removed unused variables
2011-04-13 19:46:22 +05:30
integer(pInt) o,c,crystID,mySize
reworked crystallite part to allow for flexible user output --> new "crystallite" part in config file --> new "crystallite" option for microstructures --> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 23:09:11 +05:30
crystID = microstructure_crystallite(mesh_element(4,e))
crystallite_postResults = 0.0_pReal
c = 0_pInt
new crystallite output "grainrotationX", "grainrotationY", "grainrotationZ" that gives the deviation of the initial orientation in degrees around the sample reference x/y/z axis, while "grainrotation" still gives the same as axis angle pair in crystal coordinates
2013-01-16 14:15:41 +05:30
crystallite_postResults(c+1) = real(crystallite_sizePostResults(crystID),pReal) ! size of results from cryst
openmp parallelization working again (at least for j2 and nonlocal constitutive model). In order to keep it like that, please follow these simple rules: DON'T use implicit array subscripts: example: real, dimension(3,3) :: A,B A(:,2) = B(:,1) <--- DON'T USE A(1:3,2) = B(1:3,1) <--- BETTER USE In many cases the use of explicit array subscripts is inevitable for parallelization. Additionally, it is an easy means to prevent memory leaks. Enclose all write statements with the following: !$OMP CRITICAL (write2out) <your write statement> !$OMP END CRITICAL (write2out) Whenever you change something in the code and are not sure if it affects parallelization and leads to nonconforming behavior, please ask me and/or Franz to check this.
2011-03-17 16:16:17 +05:30
c = c + 1_pInt
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
again: adding pInt, removing redundant use statments, chang in dble to real(,pReal)
2012-02-21 22:01:37 +05:30
do o = 1_pInt,crystallite_Noutput(crystID)
shape mismatch in crystallite, invalid names for variables(pos, size) in homogenization corrected. polishing of DAMASK_spectral_interface and makefile
2011-08-01 23:40:55 +05:30
mySize = 0_pInt
reworked crystallite part to allow for flexible user output --> new "crystallite" part in config file --> new "crystallite" option for microstructures --> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 23:09:11 +05:30
select case(crystallite_output(o,crystID))
case ('phase')
shape mismatch in crystallite, invalid names for variables(pos, size) in homogenization corrected. polishing of DAMASK_spectral_interface and makefile
2011-08-01 23:40:55 +05:30
mySize = 1_pInt
new crystallite output "grainrotationX", "grainrotationY", "grainrotationZ" that gives the deviation of the initial orientation in degrees around the sample reference x/y/z axis, while "grainrotation" still gives the same as axis angle pair in crystal coordinates
2013-01-16 14:15:41 +05:30
crystallite_postResults(c+1) = real(material_phase(g,i,e),pReal) ! phaseID of grain
added "texture " as possible crystallite output => reports ID for later discrimination...
2011-03-22 19:10:27 +05:30
case ('texture')
shape mismatch in crystallite, invalid names for variables(pos, size) in homogenization corrected. polishing of DAMASK_spectral_interface and makefile
2011-08-01 23:40:55 +05:30
mySize = 1_pInt
new crystallite output "grainrotationX", "grainrotationY", "grainrotationZ" that gives the deviation of the initial orientation in degrees around the sample reference x/y/z axis, while "grainrotation" still gives the same as axis angle pair in crystal coordinates
2013-01-16 14:15:41 +05:30
crystallite_postResults(c+1) = real(material_texture(g,i,e),pReal) ! textureID of grain
reworked crystallite part to allow for flexible user output --> new "crystallite" part in config file --> new "crystallite" option for microstructures --> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 23:09:11 +05:30
case ('volume')
shape mismatch in crystallite, invalid names for variables(pos, size) in homogenization corrected. polishing of DAMASK_spectral_interface and makefile
2011-08-01 23:40:55 +05:30
mySize = 1_pInt
new crystallite output "grainrotationX", "grainrotationY", "grainrotationZ" that gives the deviation of the initial orientation in degrees around the sample reference x/y/z axis, while "grainrotation" still gives the same as axis angle pair in crystal coordinates
2013-01-16 14:15:41 +05:30
detF = math_det33(crystallite_partionedF(1:3,1:3,g,i,e)) ! V_current = det(F) * V_reference
crystallite_postResults(c+1) = detF * mesh_ipVolume(i,e) / homogenization_Ngrains(mesh_element(3,e)) ! grain volume (not fraction but absolute)
reworked crystallite part to allow for flexible user output --> new "crystallite" part in config file --> new "crystallite" option for microstructures --> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 23:09:11 +05:30
case ('orientation')
shape mismatch in crystallite, invalid names for variables(pos, size) in homogenization corrected. polishing of DAMASK_spectral_interface and makefile
2011-08-01 23:40:55 +05:30
mySize = 4_pInt
new crystallite output "grainrotationX", "grainrotationY", "grainrotationZ" that gives the deviation of the initial orientation in degrees around the sample reference x/y/z axis, while "grainrotation" still gives the same as axis angle pair in crystal coordinates
2013-01-16 14:15:41 +05:30
crystallite_postResults(c+1:c+mySize) = crystallite_orientation(1:4,g,i,e) ! grain orientation as quaternion
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
case ('eulerangles')
shape mismatch in crystallite, invalid names for variables(pos, size) in homogenization corrected. polishing of DAMASK_spectral_interface and makefile
2011-08-01 23:40:55 +05:30
mySize = 3_pInt
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
crystallite_postResults(c+1:c+mySize) = inDeg * math_qToEuler(crystallite_orientation(1:4,g,i,e)) ! grain orientation as Euler angles in degree
New output can be requested from crystallite: (output) grainrotation it gives the deviation from the initial grain orientation in axis-angle representation with the angle in degrees.
2010-04-12 16:44:36 +05:30
case ('grainrotation')
shape mismatch in crystallite, invalid names for variables(pos, size) in homogenization corrected. polishing of DAMASK_spectral_interface and makefile
2011-08-01 23:40:55 +05:30
mySize = 4_pInt
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
crystallite_postResults(c+1:c+mySize) = math_qToAxisAngle(crystallite_rotation(1:4,g,i,e)) ! grain rotation away from initial orientation as axis-angle in crystal reference coordinates
new crystallite output "grainrotationX", "grainrotationY", "grainrotationZ" that gives the deviation of the initial orientation in degrees around the sample reference x/y/z axis, while "grainrotation" still gives the same as axis angle pair in crystal coordinates
2013-01-16 14:15:41 +05:30
crystallite_postResults(c+4) = inDeg * crystallite_postResults(c+4) ! angle in degree
case ('grainrotationx')
mySize = 1_pInt
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
rotation = math_qToAxisAngle(math_qMul(math_qMul(crystallite_orientation(1:4,g,i,e), &
new crystallite output "grainrotationX", "grainrotationY", "grainrotationZ" that gives the deviation of the initial orientation in degrees around the sample reference x/y/z axis, while "grainrotation" still gives the same as axis angle pair in crystal coordinates
2013-01-16 14:15:41 +05:30
crystallite_rotation(1:4,g,i,e)), &
math_qConj(crystallite_orientation(1:4,g,i,e)))) ! grain rotation away from initial orientation as axis-angle in sample reference coordinates
crystallite_postResults(c+1) = inDeg * rotation(1) * rotation(4) ! angle in degree
case ('grainrotationy')
mySize = 1_pInt
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
rotation = math_qToAxisAngle(math_qMul(math_qMul(crystallite_orientation(1:4,g,i,e), &
new crystallite output "grainrotationX", "grainrotationY", "grainrotationZ" that gives the deviation of the initial orientation in degrees around the sample reference x/y/z axis, while "grainrotation" still gives the same as axis angle pair in crystal coordinates
2013-01-16 14:15:41 +05:30
crystallite_rotation(1:4,g,i,e)), &
math_qConj(crystallite_orientation(1:4,g,i,e)))) ! grain rotation away from initial orientation as axis-angle in sample reference coordinates
crystallite_postResults(c+1) = inDeg * rotation(2) * rotation(4) ! angle in degree
case ('grainrotationz')
mySize = 1_pInt
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
rotation = math_qToAxisAngle(math_qMul(math_qMul(crystallite_orientation(1:4,g,i,e), &
new crystallite output "grainrotationX", "grainrotationY", "grainrotationZ" that gives the deviation of the initial orientation in degrees around the sample reference x/y/z axis, while "grainrotation" still gives the same as axis angle pair in crystal coordinates
2013-01-16 14:15:41 +05:30
crystallite_rotation(1:4,g,i,e)), &
math_qConj(crystallite_orientation(1:4,g,i,e)))) ! grain rotation away from initial orientation as axis-angle in sample reference coordinates
crystallite_postResults(c+1) = inDeg * rotation(3) * rotation(4) ! angle in degree
new substructure with 'include' and 'config' directories renaming of mpie_... to DAMASK for main usersubroutines extension of element outputs from 5 to 8 digits (FFT!!!)
2011-05-11 22:08:45 +05:30
! remark: tensor output is of the form 11,12,13, 21,22,23, 31,32,33
! thus row index i is slow, while column index j is fast. reminder: "row is slow"
added some output variables in crystallite: F, Fe, Fp, Ee, P, S
2010-05-18 13:27:13 +05:30
case ('defgrad','f')
mySize = 9_pInt
polishing: removed variable names like 'unit' and 'data' that are keywords of fortran and ensured that integer and real precision matches independent of machine standard. removed cut_off parameter for damask_spectral removed outpot of derived divergence measures and added RMS output in brackets added comments and options to the makefile
2012-02-16 00:28:38 +05:30
crystallite_postResults(c+1:c+mySize) = reshape(math_transpose33(crystallite_partionedF(1:3,1:3,g,i,e)),[mySize])
added total Green-Lagrange strain to crystallite outputs
2012-01-20 15:55:35 +05:30
case ('e')
mySize = 9_pInt
crystallite_postResults(c+1:c+mySize) = 0.5_pReal * reshape((math_mul33x33( &
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
math_transpose33(crystallite_partionedF(1:3,1:3,g,i,e)), &
polishing: removed variable names like 'unit' and 'data' that are keywords of fortran and ensured that integer and real precision matches independent of machine standard. removed cut_off parameter for damask_spectral removed outpot of derived divergence measures and added RMS output in brackets added comments and options to the makefile
2012-02-16 00:28:38 +05:30
crystallite_partionedF(1:3,1:3,g,i,e)) - math_I3),[mySize])
added some output variables in crystallite: F, Fe, Fp, Ee, P, S
2010-05-18 13:27:13 +05:30
case ('fe')
mySize = 9_pInt
polishing: removed variable names like 'unit' and 'data' that are keywords of fortran and ensured that integer and real precision matches independent of machine standard. removed cut_off parameter for damask_spectral removed outpot of derived divergence measures and added RMS output in brackets added comments and options to the makefile
2012-02-16 00:28:38 +05:30
crystallite_postResults(c+1:c+mySize) = reshape(math_transpose33(crystallite_Fe(1:3,1:3,g,i,e)),[mySize])
added some output variables in crystallite: F, Fe, Fp, Ee, P, S
2010-05-18 13:27:13 +05:30
case ('ee')
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
Ee = 0.5_pReal * (math_mul33x33(math_transpose33(crystallite_Fe(1:3,1:3,g,i,e)), crystallite_Fe(1:3,1:3,g,i,e)) - math_I3)
added some output variables in crystallite: F, Fe, Fp, Ee, P, S
2010-05-18 13:27:13 +05:30
mySize = 9_pInt
polishing: removed variable names like 'unit' and 'data' that are keywords of fortran and ensured that integer and real precision matches independent of machine standard. removed cut_off parameter for damask_spectral removed outpot of derived divergence measures and added RMS output in brackets added comments and options to the makefile
2012-02-16 00:28:38 +05:30
crystallite_postResults(c+1:c+mySize) = reshape(Ee,[mySize])
added some output variables in crystallite: F, Fe, Fp, Ee, P, S
2010-05-18 13:27:13 +05:30
case ('fp')
mySize = 9_pInt
polishing: removed variable names like 'unit' and 'data' that are keywords of fortran and ensured that integer and real precision matches independent of machine standard. removed cut_off parameter for damask_spectral removed outpot of derived divergence measures and added RMS output in brackets added comments and options to the makefile
2012-02-16 00:28:38 +05:30
crystallite_postResults(c+1:c+mySize) = reshape(math_transpose33(crystallite_Fp(1:3,1:3,g,i,e)),[mySize])
added "Lp" as crystallite output
2011-02-25 13:45:26 +05:30
case ('lp')
mySize = 9_pInt
polishing: removed variable names like 'unit' and 'data' that are keywords of fortran and ensured that integer and real precision matches independent of machine standard. removed cut_off parameter for damask_spectral removed outpot of derived divergence measures and added RMS output in brackets added comments and options to the makefile
2012-02-16 00:28:38 +05:30
crystallite_postResults(c+1:c+mySize) = reshape(math_transpose33(crystallite_Lp(1:3,1:3,g,i,e)),[mySize])
added some output variables in crystallite: F, Fe, Fp, Ee, P, S
2010-05-18 13:27:13 +05:30
case ('p','firstpiola','1stpiola')
mySize = 9_pInt
polishing: removed variable names like 'unit' and 'data' that are keywords of fortran and ensured that integer and real precision matches independent of machine standard. removed cut_off parameter for damask_spectral removed outpot of derived divergence measures and added RMS output in brackets added comments and options to the makefile
2012-02-16 00:28:38 +05:30
crystallite_postResults(c+1:c+mySize) = reshape(math_transpose33(crystallite_P(1:3,1:3,g,i,e)),[mySize])
added some output variables in crystallite: F, Fe, Fp, Ee, P, S
2010-05-18 13:27:13 +05:30
case ('s','tstar','secondpiola','2ndpiola')
mySize = 9_pInt
polishing: removed variable names like 'unit' and 'data' that are keywords of fortran and ensured that integer and real precision matches independent of machine standard. removed cut_off parameter for damask_spectral removed outpot of derived divergence measures and added RMS output in brackets added comments and options to the makefile
2012-02-16 00:28:38 +05:30
crystallite_postResults(c+1:c+mySize) = reshape(math_Mandel6to33(crystallite_Tstar_v(1:6,g,i,e)),[mySize])
added elastic stiffness matrix as crystallite output
2012-03-01 18:36:09 +05:30
case ('elasmatrix')
mySize = 36_pInt
crystallite_postResults(c+1:c+mySize) = reshape(constitutive_homogenizedC(g,i,e),(/mySize/))
reworked crystallite part to allow for flexible user output --> new "crystallite" part in config file --> new "crystallite" option for microstructures --> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 23:09:11 +05:30
end select
shape mismatch in crystallite, invalid names for variables(pos, size) in homogenization corrected. polishing of DAMASK_spectral_interface and makefile
2011-08-01 23:40:55 +05:30
c = c + mySize
reworked crystallite part to allow for flexible user output --> new "crystallite" part in config file --> new "crystallite" option for microstructures --> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 23:09:11 +05:30
enddo
new substructure with 'include' and 'config' directories renaming of mpie_... to DAMASK for main usersubroutines extension of element outputs from 5 to 8 digits (FFT!!!)
2011-05-11 22:08:45 +05:30
polishing: removed variable names like 'unit' and 'data' that are keywords of fortran and ensured that integer and real precision matches independent of machine standard. removed cut_off parameter for damask_spectral removed outpot of derived divergence measures and added RMS output in brackets added comments and options to the makefile
2012-02-16 00:28:38 +05:30
crystallite_postResults(c+1) = real(constitutive_sizePostResults(g,i,e),pReal) ! size of constitutive results
openmp parallelization working again (at least for j2 and nonlocal constitutive model). In order to keep it like that, please follow these simple rules: DON'T use implicit array subscripts: example: real, dimension(3,3) :: A,B A(:,2) = B(:,1) <--- DON'T USE A(1:3,2) = B(1:3,1) <--- BETTER USE In many cases the use of explicit array subscripts is inevitable for parallelization. Additionally, it is an easy means to prevent memory leaks. Enclose all write statements with the following: !$OMP CRITICAL (write2out) <your write statement> !$OMP END CRITICAL (write2out) Whenever you change something in the code and are not sure if it affects parallelization and leads to nonconforming behavior, please ask me and/or Franz to check this.
2011-03-17 16:16:17 +05:30
c = c + 1_pInt
check whether there is any constitutive output
2012-05-11 13:08:20 +05:30
if (constitutive_sizePostResults(g,i,e) > 0_pInt) &
crystallite_postResults(c+1:c+constitutive_sizePostResults(g,i,e)) = constitutive_postResults(crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Fe, &
crystallite_Temperature(g,i,e), &
dt, g, i, e)
constitutive_nonlocal: - corrected flux term - multiplication is now aware of dislocation type - corrected change rate for "dipole size" dupper - corrected term for dipole dissociation by stress change - added transmissivity term in fluxes which accounts for misorientation between two neighboring grains (yet hardcoded transmissivity according to misorientation angle) - added more output variables constitutive: - 2 additional variables "previousDotState" and "previousDotState2", which are used to store the previous and second previous dotState (used in crystallite for acceleration/stabilization of state integration) - timer for dotState now measures the time for calls to constitutive_ collectState (used to reside in crystallite_updateState, which is not critical in terms of calculation time anymore) crystallite: - convergence check for nonlocal elments is now done at end of crystallite loop, not at the beginning; we simple set all elements to not converged if there is at least one nonlocal element that did not converge - need call to microstructure before first call to collect dotState for dependent states - stiffness calculation (jacobian): if there are nonlocal elements, we also have to consider changes in our neighborhood's states; so for every perturbed component in a single ip, we have to loop over all elements; since this is extremely time-consuming, we just perturb one component per cycle, starting with the one that changes the most during regular time step. - updateState gets a damping prefactor for our dotState that helps to improve convergence; prefactor is calculated according to change of dotState IO: - additional warning message for unknown crystal symmetry
2009-12-15 13:50:31 +05:30
c = c + constitutive_sizePostResults(g,i,e)
did a lot of polishing: - removed unnecessary "return" before end of subroutine or function: - changed undetermined array length (:) to (1:3) To prevent problems with some code analysing tools: - "3D oneliner loops" (with ";) only for "do" and "enddo" at the same time - removed line continuation in OMP statements made the makefile more flexible, removed heap-arrays switch
2011-09-13 21:24:06 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function crystallite_postResults
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
end module crystallite