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DAMASK_EICMD/code/crystallite.f90

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doxygen comments
2013-02-22 04:38:36 +05:30
!--------------------------------------------------------------------------------------------------
! $Id$
!--------------------------------------------------------------------------------------------------
!> @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
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
use prec, only: &
pReal, &
pInt
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
private
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
character(len=64), dimension(:,:), allocatable, private :: &
doxygen comments
2013-02-22 04:38:36 +05:30
crystallite_output !< name of each post result output
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
integer(pInt), public, protected :: &
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
crystallite_maxSizePostResults !< description not available
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
integer(pInt), dimension(:), allocatable, public, protected :: &
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
crystallite_sizePostResults !< description not available
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
integer(pInt), dimension(:,:), allocatable, private :: &
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
crystallite_sizePostResult !< description not available
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
real(pReal), dimension(:,:), allocatable, public :: &
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
crystallite_temperature !< temperature (same on all components on one IP)
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
real(pReal), dimension(:,:,:), allocatable, public, protected :: &
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
crystallite_heat !< heat source
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
real(pReal), dimension(:,:,:), allocatable, public :: &
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
crystallite_dt !< requested time increment of each grain
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
real(pReal), dimension(:,:,:), allocatable, private :: &
doxygen comments
2013-02-22 04:38:36 +05:30
crystallite_subdt, & !< substepped time increment of each grain
crystallite_subFrac, & !< already calculated fraction of increment
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
crystallite_subStep !< size of next integration step
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
real(pReal), dimension(:,:,:,:), allocatable, public :: &
doxygen comments
2013-02-22 04:38:36 +05:30
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
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
real(pReal), dimension(:,:,:,:), allocatable, private :: &
doxygen comments
2013-02-22 04:38:36 +05:30
crystallite_subTstar0_v, & !< 2nd Piola-Kirchhoff stress vector at start of crystallite inc
crystallite_orientation, & !< orientation as quaternion
crystallite_orientation0, & !< initial orientation as quaternion
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
crystallite_rotation !< grain rotation away from initial orientation as axis-angle (in degrees) in crystal reference frame
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
real(pReal), dimension(:,:,:,:,:), allocatable, public :: &
doxygen comments
2013-02-22 04:38:36 +05:30
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
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
real(pReal), dimension(:,:,:,:,:), allocatable, private :: &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
crystallite_Fe, & !< current "elastic" def grad (end of converged time step)
doxygen comments
2013-02-22 04:38:36 +05:30
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)
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
real(pReal), dimension(:,:,:,:,:,:,:), allocatable, public :: &
doxygen comments
2013-02-22 04:38:36 +05:30
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
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
real(pReal), dimension(:,:,:,:,:,:,:), allocatable, private :: &
doxygen comments
2013-02-22 04:38:36 +05:30
crystallite_fallbackdPdF !< dPdF fallback for non-converged grains (elastic prediction)
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
logical, dimension(:,:,:), allocatable, public :: &
doxygen comments
2013-02-22 04:38:36 +05:30
crystallite_requested !< flag to request crystallite calculation
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
logical, dimension(:,:,:), allocatable, public, protected :: &
reorganized calculation modes for CPFEM, now having better readable and cleaner structure
2013-03-01 17:18:29 +05:30
crystallite_converged, & !< convergence flag
crystallite_localPlasticity !< indicates this grain to have purely local constitutive law
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
logical, dimension(:,:,:), allocatable, private :: &
doxygen comments
2013-02-22 04:38:36 +05:30
crystallite_todo !< flag to indicate need for further computation
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
logical, dimension(:,:), allocatable, private :: &
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
crystallite_clearToWindForward, & !< description not available
crystallite_clearToCutback, & !< description not available
crystallite_syncSubFrac, & !< description not available
crystallite_syncSubFracCompleted, & !< description not available
crystallite_neighborEnforcedCutback !< description not available
doxygen comments
2013-02-22 04:38:36 +05:30
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
enum, bind(c)
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
enumerator :: undefined_ID, &
phase_ID, &
texture_ID, &
volume_ID, &
grainrotationx_ID, &
grainrotationy_ID, &
grainrotationz_ID, &
heat_ID, &
orientation_ID, &
grainrotation_ID, &
eulerangles_ID, &
defgrad_ID, &
fe_ID, &
fp_ID, &
lp_ID, &
e_ID, &
ee_ID, &
p_ID, &
s_ID, &
elasmatrix_ID, &
neighboringip_ID, &
neighboringelement_ID
end enum
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
integer(kind(undefined_ID)),dimension(:,:), allocatable, private :: &
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
crystallite_outputID !< ID of each post result output
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
public :: &
crystallite_init, &
crystallite_stressAndItsTangent, &
crystallite_orientations, &
added funtions to get averged properties at integration points.
2014-09-10 14:07:12 +05:30
crystallite_push33ToRef, &
doxygen comments
2013-02-22 04:38:36 +05:30
crystallite_postResults
private :: &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
crystallite_integrateStateFPI, &
doxygen comments
2013-02-22 04:38:36 +05:30
crystallite_integrateStateEuler, &
crystallite_integrateStateAdaptiveEuler, &
crystallite_integrateStateRK4, &
crystallite_integrateStateRKCK45, &
crystallite_integrateStress, &
crystallite_stateJump
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +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
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
2013-02-22 04:38:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief allocates and initialize per grain variables
!--------------------------------------------------------------------------------------------------
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
subroutine crystallite_init(temperature)
doxygen comments
2013-02-22 04:38:36 +05:30
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
use debug, only: &
debug_info, &
debug_reset, &
debug_level, &
debug_crystallite, &
debug_levelBasic
further improvements on implementing the plain mode
2013-04-16 22:37:27 +05:30
use numerics, only: &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
usePingPong
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
use math, only: &
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
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, only: &
added possibility for multi-level inclusion of files in *.config and loadcase files. include subfiles by stating {path/to/include}
2013-06-27 00:49:00 +05:30
IO_read, &
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
IO_timeStamp, &
IO_open_jobFile_stat, &
IO_open_file, &
IO_lc, &
IO_getTag, &
IO_isBlank, &
IO_stringPos, &
IO_stringValue, &
IO_write_jobFile, &
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
IO_error, &
IO_EOF
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 material
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
use lattice, only: &
moved reading in of lattice type and elastic constants to lattice module removed structure type for hex, fcc, bcc, now defining slip/twin systems for each phase found in material.config constitutive modules will only be initialized if needed homogenizedC function is only needed for models incorporating twinning in a physical way (titanmod and dislotwin)
2014-03-09 02:20:31 +05:30
lattice_structure
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
use constitutive, only: &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
constitutive_microstructure ! derived (shortcut) quantities of given state
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +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
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
real(pReal), intent(in) :: temperature
integer(pInt), parameter :: &
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
FILEUNIT = 200_pInt, &
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
MAXNCHUNKS = 2_pInt
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
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
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
section = 0_pInt, &
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
j, &
p, &
some small improvements, still something wrong, probably in crystallite.f90
2013-12-13 19:44:17 +05:30
output = 0_pInt, &
moved reading in of lattice type and elastic constants to lattice module removed structure type for hex, fcc, bcc, now defining slip/twin systems for each phase found in material.config constitutive modules will only be initialized if needed homogenizedC function is only needed for models incorporating twinning in a physical way (titanmod and dislotwin)
2014-03-09 02:20:31 +05:30
mySize
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
character(len=65536) :: &
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
tag = '', &
line= ''
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
write(6,'(/,a)') ' <<<+- crystallite init -+>>>'
write(6,'(a)') ' $Id$'
write(6,'(a15,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"
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +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
gMax = homogenization_maxNgrains
iMax = mesh_maxNips
eMax = mesh_NcpElems
nMax = mesh_maxNipNeighbors
more work on the new state
2014-05-27 20:16:03 +05:30
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
allocate(crystallite_temperature(iMax,eMax), source=temperature)
allocate(crystallite_heat(gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_Tstar0_v(6,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_partionedTstar0_v(6,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_subTstar0_v(6,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_Tstar_v(6,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_P(3,3,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_F0(3,3,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_partionedF0(3,3,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_partionedF(3,3,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_subF0(3,3,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_subF(3,3,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_Fp0(3,3,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_partionedFp0(3,3,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_subFp0(3,3,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_Fp(3,3,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_invFp(3,3,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_Fe(3,3,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_subFe0(3,3,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_Lp0(3,3,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_partionedLp0(3,3,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_subLp0(3,3,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_Lp(3,3,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_dPdF(3,3,3,3,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_dPdF0(3,3,3,3,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_partioneddPdF0(3,3,3,3,gMax,iMax,eMax),source=0.0_pReal)
allocate(crystallite_fallbackdPdF(3,3,3,3,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_dt(gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_subdt(gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_subFrac(gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_subStep(gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_orientation(4,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_orientation0(4,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_rotation(4,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_disorientation(4,nMax,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_localPlasticity(gMax,iMax,eMax), source=.true.)
allocate(crystallite_requested(gMax,iMax,eMax), source=.false.)
allocate(crystallite_todo(gMax,iMax,eMax), source=.false.)
allocate(crystallite_converged(gMax,iMax,eMax), source=.true.)
allocate(crystallite_clearToWindForward(iMax,eMax), source=.true.)
allocate(crystallite_syncSubFrac(iMax,eMax), source=.false.)
allocate(crystallite_syncSubFracCompleted(iMax,eMax), source=.false.)
allocate(crystallite_clearToCutback(iMax,eMax), source=.true.)
allocate(crystallite_neighborEnforcedCutback(iMax,eMax), source=.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), &
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
material_Ncrystallite)) ; crystallite_output = ''
allocate(crystallite_outputID(maxval(crystallite_Noutput), &
material_Ncrystallite), source=undefined_ID)
allocate(crystallite_sizePostResults(material_Ncrystallite),source=0_pInt)
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_sizePostResult(maxval(crystallite_Noutput), &
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
material_Ncrystallite), source=0_pInt)
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
if (.not. IO_open_jobFile_stat(FILEUNIT,material_localFileExt)) & ! no local material configuration present...
call IO_open_file(FILEUNIT,material_configFile) ! ...open material.config file
rewind(FILEUNIT)
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= material_partCrystallite) ! wind forward to <crystallite>
line = IO_read(FILEUNIT)
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
do while (trim(line) /= IO_EOF) ! read through sections of crystallite part
line = IO_read(FILEUNIT)
doxygen comments
2013-02-22 04:38:36 +05:30
if (IO_isBlank(line)) cycle ! skip empty lines
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
if (IO_getTag(line,'<','>') /= '') then ! stop at next part
line = IO_read(FILEUNIT, .true.) ! reset IO_read
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
exit
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
endif
doxygen comments
2013-02-22 04:38:36 +05:30
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
added missing lp output to crystallite
2013-12-20 16:43:12 +05:30
cycle ! skip to next line
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))
some small improvements, still something wrong, probably in crystallite.f90
2013-12-13 19:44:17 +05:30
select case(crystallite_output(output,section))
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case ('phase')
fixed small issues, ATTENTION: Still a bug introduced with rev. 2783 not fixed
2013-12-13 18:49:17 +05:30
crystallite_outputID(output,section) = phase_ID
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case ('texture')
fixed small issues, ATTENTION: Still a bug introduced with rev. 2783 not fixed
2013-12-13 18:49:17 +05:30
crystallite_outputID(output,section) = texture_ID
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case ('volume')
fixed small issues, ATTENTION: Still a bug introduced with rev. 2783 not fixed
2013-12-13 18:49:17 +05:30
crystallite_outputID(output,section) = volume_ID
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case ('grainrotationx')
fixed small issues, ATTENTION: Still a bug introduced with rev. 2783 not fixed
2013-12-13 18:49:17 +05:30
crystallite_outputID(output,section) = grainrotationx_ID
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case ('grainrotationy')
fixed small issues, ATTENTION: Still a bug introduced with rev. 2783 not fixed
2013-12-13 18:49:17 +05:30
crystallite_outputID(output,section) = grainrotationy_ID
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case ('grainrotationz')
fixed small issues, ATTENTION: Still a bug introduced with rev. 2783 not fixed
2013-12-13 18:49:17 +05:30
crystallite_outputID(output,section) = grainrotationx_ID
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case ('heat')
fixed small issues, ATTENTION: Still a bug introduced with rev. 2783 not fixed
2013-12-13 18:49:17 +05:30
crystallite_outputID(output,section) = heat_ID
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case ('orientation')
fixed small issues, ATTENTION: Still a bug introduced with rev. 2783 not fixed
2013-12-13 18:49:17 +05:30
crystallite_outputID(output,section) = orientation_ID
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case ('grainrotation')
fixed small issues, ATTENTION: Still a bug introduced with rev. 2783 not fixed
2013-12-13 18:49:17 +05:30
crystallite_outputID(output,section) = grainrotation_ID
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case ('eulerangles')
fixed small issues, ATTENTION: Still a bug introduced with rev. 2783 not fixed
2013-12-13 18:49:17 +05:30
crystallite_outputID(output,section) = eulerangles_ID
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case ('defgrad','f')
fixed small issues, ATTENTION: Still a bug introduced with rev. 2783 not fixed
2013-12-13 18:49:17 +05:30
crystallite_outputID(output,section) = defgrad_ID
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case ('fe')
fixed small issues, ATTENTION: Still a bug introduced with rev. 2783 not fixed
2013-12-13 18:49:17 +05:30
crystallite_outputID(output,section) = fe_ID
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case ('fp')
fixed small issues, ATTENTION: Still a bug introduced with rev. 2783 not fixed
2013-12-13 18:49:17 +05:30
crystallite_outputID(output,section) = fp_ID
added missing lp output to crystallite
2013-12-20 16:43:12 +05:30
case ('lp')
crystallite_outputID(output,section) = lp_ID
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case ('e')
fixed small issues, ATTENTION: Still a bug introduced with rev. 2783 not fixed
2013-12-13 18:49:17 +05:30
crystallite_outputID(output,section) = e_ID
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case ('ee')
fixed small issues, ATTENTION: Still a bug introduced with rev. 2783 not fixed
2013-12-13 18:49:17 +05:30
crystallite_outputID(output,section) = ee_ID
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case ('p','firstpiola','1piola')
fixed small issues, ATTENTION: Still a bug introduced with rev. 2783 not fixed
2013-12-13 18:49:17 +05:30
crystallite_outputID(output,section) = p_ID
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case ('s','tstar','secondpiola','2ndpiola')
fixed small issues, ATTENTION: Still a bug introduced with rev. 2783 not fixed
2013-12-13 18:49:17 +05:30
crystallite_outputID(output,section) = s_ID
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case ('elasmatrix')
fixed small issues, ATTENTION: Still a bug introduced with rev. 2783 not fixed
2013-12-13 18:49:17 +05:30
crystallite_outputID(output,section) = elasmatrix_ID
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case ('neighboringip')
fixed small issues, ATTENTION: Still a bug introduced with rev. 2783 not fixed
2013-12-13 18:49:17 +05:30
crystallite_outputID(output,section) = neighboringip_ID
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case ('neighboringelement')
fixed small issues, ATTENTION: Still a bug introduced with rev. 2783 not fixed
2013-12-13 18:49:17 +05:30
crystallite_outputID(output,section) = neighboringelement_ID
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case default
call IO_error(105_pInt,ext_msg=IO_stringValue(line,positions,2_pInt)//' (Crystallite)')
end select
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
end select
endif
enddo
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
close(FILEUNIT)
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +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
do i = 1_pInt,material_Ncrystallite
do j = 1_pInt,crystallite_Noutput(i)
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
select case(crystallite_outputID(j,i))
case(phase_ID,texture_ID,volume_ID,grainrotationx_ID,grainrotationy_ID,grainrotationz_ID,heat_ID)
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
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case(orientation_ID,grainrotation_ID) ! 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
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case(eulerangles_ID)
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
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case(defgrad_ID,fe_ID,fp_ID,lp_ID,e_ID,ee_ID,p_ID,s_ID)
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 = 9_pInt
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case(elasmatrix_ID)
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
mySize = 36_pInt
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case(neighboringip_ID,neighboringelement_ID)
added crystallite output "neighboringelement" and "neighboringip" some polishing in crystallite_postResults
2013-05-08 17:32:30 +05:30
mySize = mesh_maxNipNeighbors
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 default
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
mySize = 0_pInt
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
end select
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
outputFound: if (mySize > 0_pInt) then
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
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
endif outputFound
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
enddo
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +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
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
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +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
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
call IO_write_jobFile(FILEUNIT,'outputCrystallite')
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +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
do p = 1_pInt,material_Ncrystallite
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
write(FILEUNIT,'(/,a,/)') '['//trim(crystallite_name(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
do e = 1_pInt,crystallite_Noutput(p)
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
write(FILEUNIT,'(a,i4)') trim(crystallite_output(e,p))//char(9),crystallite_sizePostResult(e,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
enddo
enddo
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
close(FILEUNIT)
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
!--------------------------------------------------------------------------------------------------
! initialize
more work on the new state
2014-05-27 20:16:03 +05:30
!$OMP PARALLEL DO PRIVATE(myNgrains)
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over all cp elements
myNgrains = homogenization_Ngrains(mesh_element(3,e)) ! look up homogenization-->grainCount
forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), g = 1_pInt:myNgrains)
crystallite_Fp0(1:3,1:3,g,i,e) = math_EulerToR(material_EulerAngles(1:3,g,i,e)) ! plastic def gradient reflects init orientation
crystallite_F0(1:3,1:3,g,i,e) = math_I3
crystallite_localPlasticity(g,i,e) = phase_localPlasticity(material_phase(g,i,e))
crystallite_Fe(1:3,1:3,g,i,e) = math_transpose33(crystallite_Fp0(1:3,1:3,g,i,e))
crystallite_Fp(1:3,1:3,g,i,e) = crystallite_Fp0(1:3,1:3,g,i,e)
crystallite_requested(g,i,e) = .true.
endforall
enddo
!$OMP END PARALLEL DO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
if(any(.not. crystallite_localPlasticity) .and. .not. usePingPong) call IO_error(601_pInt) ! exit if nonlocal but no ping-pong
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
crystallite_partionedFp0 = crystallite_Fp0
crystallite_partionedF0 = crystallite_F0
crystallite_partionedF = crystallite_F0
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
call crystallite_orientations()
crystallite_orientation0 = crystallite_orientation ! store initial orientations for calculation of grain rotations
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
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
!$OMP PARALLEL DO PRIVATE(myNgrains)
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do g = 1_pInt,myNgrains
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
call constitutive_microstructure(temperature, &
subsumed constitutive_damage/thermal into constitutive
2014-09-23 16:08:20 +05:30
crystallite_Tstar_v(1:6,g,i,e), &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
crystallite_Fe(1:3,1:3,g,i,e), &
crystallite_Fp(1:3,1:3,g,i,e),g,i,e) ! update dependent state variables to be consistent with basic states
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
enddo
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
enddo
enddo
!$OMP END PARALLEL DO
fixed two severe bugs in new state, now a little bit faster (399 vs. 378 sec) and more memory efficicient (251312 vs. 236832 kbytes) for Phenopowerlaw 16x16x16 example (short load only)
2014-06-17 00:49:38 +05:30
removed old inaccurate analytic jacobian with exact jacobian. seems to work as well as perturbed jacobian and better than the old analytic jacobian for some simple tests.
2014-08-08 02:38:34 +05:30
call crystallite_stressAndItsTangent(.true.) ! request elastic answers
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
crystallite_fallbackdPdF = crystallite_dPdF ! use initial elastic stiffness as fallback
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
!--------------------------------------------------------------------------------------------------
! debug output
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
write(6,'(a35,1x,7(i8,1x))') 'crystallite_temperature: ', shape(crystallite_temperature)
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
write(6,'(a35,1x,7(i8,1x))') 'crystallite_heat: ', shape(crystallite_heat)
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
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_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_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)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_localPlasticity: ', shape(crystallite_localPlasticity)
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)
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
write(6,'(/,a35,1x,i10)') 'Number of nonlocal grains: ',count(.not. crystallite_localPlasticity)
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
flush(6)
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
!--------------------------------------------------------------------------------------------------
removed old inaccurate analytic jacobian with exact jacobian. seems to work as well as perturbed jacobian and better than the old analytic jacobian for some simple tests.
2014-08-08 02:38:34 +05:30
subroutine crystallite_stressAndItsTangent(updateJaco)
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
use numerics, only: &
subStepMinCryst, &
subStepSizeCryst, &
stepIncreaseCryst, &
pert_Fg, &
pert_method, &
nCryst, &
numerics_integrator, &
numerics_integrationMode, &
numerics_timeSyncing, &
relevantStrain, &
analyticJaco
use debug, only: &
debug_level, &
debug_crystallite, &
debug_levelBasic, &
debug_levelExtensive, &
debug_levelSelective, &
debug_e, &
debug_i, &
debug_g, &
debug_CrystalliteLoopDistribution
use IO, only: &
call IO_error if inversion error in analytic jacobian calculation
2014-08-08 02:46:37 +05:30
IO_warning, &
IO_error
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
use math, only: &
math_inv33, &
math_identity2nd, &
math_transpose33, &
math_mul33x33, &
math_mul66x6, &
math_Mandel6to33, &
math_Mandel33to6, &
math_I3, &
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
math_mul3333xx3333, &
removed old inaccurate analytic jacobian with exact jacobian. seems to work as well as perturbed jacobian and better than the old analytic jacobian for some simple tests.
2014-08-08 02:38:34 +05:30
math_mul33xx33, &
math_invert
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
use FEsolving, only: &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
FEsolving_execElem, &
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
FEsolving_execIP
use mesh, only: &
mesh_element, &
mesh_NcpElems, &
mesh_maxNips, &
mesh_ipNeighborhood, &
FE_NipNeighbors, &
FE_geomtype, &
FE_cellType
use material, only: &
homogenization_Ngrains, &
fixed small allocation flaws for new state
2014-05-12 18:30:37 +05:30
plasticState, &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
damageState, &
thermalState, &
moved mappings for new state layout to material
2014-06-23 00:28:29 +05:30
mappingConstitutive, &
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
homogenization_maxNgrains
use constitutive, only: &
removed old inaccurate analytic jacobian with exact jacobian. seems to work as well as perturbed jacobian and better than the old analytic jacobian for some simple tests.
2014-08-08 02:38:34 +05:30
constitutive_TandItsTangent, &
constitutive_LpAndItsTangent
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
implicit none
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
logical, intent(in) :: &
removed old inaccurate analytic jacobian with exact jacobian. seems to work as well as perturbed jacobian and better than the old analytic jacobian for some simple tests.
2014-08-08 02:38:34 +05:30
updateJaco !< whether to update the Jacobian (stiffness) or not
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
real(pReal) :: &
myPert, & ! perturbation with correct sign
formerSubStep, &
subFracIntermediate
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
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
real(pReal), dimension(3,3,3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
dPdF_perturbation1, &
dPdF_perturbation2
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
F_backup, &
Fp_backup, &
InvFp_backup, &
Fe_backup, &
Lp_backup, &
P_backup
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
real(pReal), dimension(6,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
Tstar_v_backup
integer(pInt) :: &
NiterationCrystallite, & ! number of iterations in crystallite loop
e, & ! element index
i, & ! integration point index
g, & ! grain index
k, &
l, &
n, startIP, endIP, &
neighboring_e, &
neighboring_i, &
o, &
p, &
perturbation , & ! loop counter for forward,backward perturbation mode
myNgrains
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
logical, dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
convergenceFlag_backup
! local variables used for calculating analytic Jacobian
removed some unused variables
2014-08-08 19:24:08 +05:30
real(pReal), dimension(3,3):: junk
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
real(pReal), dimension(3,3,3,3) :: dSdFe, &
dFedF, &
dSdF, &
removed old inaccurate analytic jacobian with exact jacobian. seems to work as well as perturbed jacobian and better than the old analytic jacobian for some simple tests.
2014-08-08 02:38:34 +05:30
junk2, &
dLpdS,dFpinvdF,rhs_3333,lhs_3333,temp_3333
real(pReal), dimension(9,9):: temp_99
logical :: error
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
fixed selective debugging logic flaw in crystallite_stressAndItsTangent
2014-05-19 22:13:32 +05:30
if (iand(debug_level(debug_crystallite),debug_levelSelective) /= 0_pInt &
.and. FEsolving_execElem(1) <= debug_e &
.and. debug_e <= FEsolving_execElem(2)) then
debug now reporting elFE in addition to elCP
2014-08-27 21:24:11 +05:30
write(6,'(/,a,i8,1x,a,i8,a,1x,i2,1x,i3)') '<< CRYST >> values at el (elFE) ip g ', &
debug_e,'(',mesh_element(1,debug_e), ')',debug_i, debug_g
more work on the new state
2014-05-27 20:16:03 +05:30
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> F0 ', &
math_transpose33(crystallite_partionedF0(1:3,1:3,debug_g,debug_i,debug_e))
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> Fp0', &
math_transpose33(crystallite_partionedFp0(1:3,1:3,debug_g,debug_i,debug_e))
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> Lp0', &
math_transpose33(crystallite_partionedLp0(1:3,1:3,debug_g,debug_i,debug_e))
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> F ', &
math_transpose33(crystallite_partionedF(1:3,1:3,debug_g,debug_i,debug_e))
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
endif
!--------------------------------------------------------------------------------------------------
! initialize to starting condition
crystallite_subStep = 0.0_pReal
more work on the new state
2014-05-27 20:16:03 +05:30
!$OMP PARALLEL DO PRIVATE(myNgrains)
elementLooping1: 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_pInt:myNgrains, crystallite_requested(g,i,e))
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
plasticState(mappingConstitutive(2,g,i,e))%subState0( :,mappingConstitutive(1,g,i,e)) = &
plasticState(mappingConstitutive(2,g,i,e))%partionedState0(:,mappingConstitutive(1,g,i,e))
damageState( mappingConstitutive(2,g,i,e))%subState0( :,mappingConstitutive(1,g,i,e)) = &
damageState( mappingConstitutive(2,g,i,e))%partionedState0(:,mappingConstitutive(1,g,i,e))
thermalState(mappingConstitutive(2,g,i,e))%subState0( :,mappingConstitutive(1,g,i,e)) = &
thermalState(mappingConstitutive(2,g,i,e))%partionedState0(:,mappingConstitutive(1,g,i,e))
more work on the new state
2014-05-27 20:16:03 +05:30
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 elementLooping1
!$OMP END PARALLEL DO
singleRun: if (FEsolving_execELem(1) == FEsolving_execElem(2) .and. &
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
FEsolving_execIP(1,FEsolving_execELem(1))==FEsolving_execIP(2,FEsolving_execELem(1))) then
startIP = FEsolving_execIP(1,FEsolving_execELem(1))
endIP = startIP
more work on the new state
2014-05-27 20:16:03 +05:30
else singleRun
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
startIP = 1_pInt
endIP = mesh_maxNips
more work on the new state
2014-05-27 20:16:03 +05:30
endif singleRun
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
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
NiterationCrystallite = 0_pInt
numerics_integrationMode = 1_pInt
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
cutbackLooping: do while (any(crystallite_todo(:,startIP:endIP,FEsolving_execELem(1):FEsolving_execElem(2))))
timeSyncing1: if (any(.not. crystallite_localPlasticity) .and. numerics_timeSyncing) then
fixed two severe bugs in new state, now a little bit faster (399 vs. 378 sec) and more memory efficicient (251312 vs. 236832 kbytes) for Phenopowerlaw 16x16x16 example (short load only)
2014-06-17 00:49:38 +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
! Time synchronization can only be used for nonlocal calculations, and only there it makes sense.
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
! The idea is that in nonlocal calculations often the vast majority of the ips
! converges in one iteration whereas a small fraction of ips has to do a lot of cutbacks.
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
! 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.
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
! However, some synchronization of the time step has to be done at the border between "bad" ips
! and the ones that immediately converged.
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
more work on the new state
2014-05-27 20:16:03 +05:30
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) &
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
write(6,'(a,i6)') '<< CRYST >> crystallite iteration ',NiterationCrystallite
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
if (any(crystallite_syncSubFrac)) then
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
! Just did a time synchronization.
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
! If all synchronizers converged, then do nothing else than winding them forward.
! If any of the synchronizers did not converge, something went completely wrong
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
! and its not clear how to fix this, so all nonlocals become terminally ill.
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
if (any(crystallite_syncSubFrac .and. .not. crystallite_converged(1,:,:))) then
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)
more work on the new state
2014-05-27 20:16:03 +05:30
if (crystallite_syncSubFrac(i,e) .and. .not. crystallite_converged(1,i,e)) &
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
write(6,'(a,i8,1x,i2)') '<< CRYST >> time synchronization: failed at el,ip ',e,i
enddo
enddo
endif
crystallite_syncSubFrac = .false.
where(.not. crystallite_localPlasticity)
crystallite_substep = 0.0_pReal
crystallite_todo = .false.
endwhere
else
!$OMP PARALLEL DO PRIVATE(myNgrains)
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
crystallite_clearToWindForward(i,e) = crystallite_localPlasticity(1,i,e) .or. crystallite_syncSubFrac(i,e)
crystallite_clearToCutback(i,e) = crystallite_localPlasticity(1,i,e)
enddo
enddo
!$OMP END PARALLEL DO
more work on the new state
2014-05-27 20:16:03 +05:30
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) &
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
write(6,'(a,i6)') '<< CRYST >> time synchronization: wind forward'
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
elseif (any(crystallite_syncSubFracCompleted)) then
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
! Just completed a time synchronization.
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
! Make sure that the ips that synchronized their time step start non-converged
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +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
more work on the new state
2014-05-27 20:16:03 +05:30
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) &
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
write(6,'(a,i6)') '<< CRYST >> time synchronization: done, proceed with cutback'
else
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
! 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.
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
! If some did not converge and all are still at the start of the time increment,
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
! then all non-convergers force their converged neighbors to also do a cutback.
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
! In case that some ips have already wound forward to an intermediate time (subfrac),
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
! 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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
! 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.
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +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
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
more work on the new state
2014-05-27 20:16:03 +05:30
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) &
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
write(6,'(a,i6)') '<< CRYST >> final wind forward'
else
!$OMP PARALLEL DO PRIVATE(myNgrains)
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
crystallite_clearToWindForward(i,e) = crystallite_localPlasticity(1,i,e) .or. crystallite_subStep(1,i,e) < 1.0_pReal
enddo
enddo
!$OMP END PARALLEL DO
more work on the new state
2014-05-27 20:16:03 +05:30
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) &
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
write(6,'(a,i6)') '<< CRYST >> wind forward'
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
!$OMP PARALLEL
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
!$OMP DO PRIVATE(neighboring_e,neighboring_i)
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
do e = FEsolving_execElem(1),FEsolving_execElem(2)
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
if (.not. crystallite_localPlasticity(1,i,e) .and. crystallite_converged(1,i,e)) then
do n = 1_pInt,FE_NipNeighbors(FE_celltype(FE_geomtype(mesh_element(2,e))))
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) &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
.and. .not. crystallite_converged(1,neighboring_i,neighboring_e)) then
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
crystallite_neighborEnforcedCutback(i,e) = .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
#ifndef _OPENMP
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
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, &
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
' enforced cutback at ',e,i
#endif
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
exit
endif
endif
enddo
endif
enddo
enddo
!$OMP END DO
!$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
else
crystallite_syncSubFrac = .false. ! look for ips that have to do a time synchronization because of a nonconverged neighbor
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
!$OMP PARALLEL
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
!$OMP DO PRIVATE(neighboring_e,neighboring_i)
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
do e = FEsolving_execElem(1),FEsolving_execElem(2)
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
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
do n = 1_pInt,FE_NipNeighbors(FE_celltype(FE_geomtype(mesh_element(2,e))))
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) &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
.and. .not. crystallite_converged(1,neighboring_i,neighboring_e)) then
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
crystallite_syncSubFrac(i,e) = .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
#ifndef _OPENMP
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
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
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
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
exit
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
endif
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
endif
enddo
endif
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
enddo
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
enddo
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +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
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
!$OMP PARALLEL DO PRIVATE(myNgrains)
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
crystallite_clearToWindForward(i,e) = crystallite_localPlasticity(1,i,e)
crystallite_clearToCutback(i,e) = crystallite_localPlasticity(1,i,e) .or. crystallite_syncSubFrac(i,e)
enddo
enddo
!$OMP END PARALLEL DO
more work on the new state
2014-05-27 20:16:03 +05:30
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) &
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
write(6,'(a,i6)') '<< CRYST >> time synchronization: cutback'
else
!$OMP PARALLEL DO PRIVATE(myNgrains)
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
if(.not. crystallite_converged(1,i,e)) crystallite_clearToCutback(i,e) = .true.
enddo
enddo
!$OMP END PARALLEL DO
more work on the new state
2014-05-27 20:16:03 +05:30
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) &
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
write(6,'(a,i6)') '<< CRYST >> cutback'
endif
endif
endif
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
! Make sure that all cutbackers start with the same substep
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
where(.not. crystallite_localPlasticity .and. .not. crystallite_converged) &
crystallite_subStep = minval(crystallite_subStep, mask=.not. crystallite_localPlasticity &
.and. .not. crystallite_converged)
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
! Those that do neither wind forward nor cutback are not to do
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
!$OMP PARALLEL DO PRIVATE(myNgrains)
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
elementLooping2: do e = FEsolving_execElem(1),FEsolving_execElem(2)
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
if(.not. crystallite_clearToWindForward(i,e) .and. .not. crystallite_clearToCutback(i,e)) &
crystallite_todo(1,i,e) = .false.
enddo
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
enddo elementLooping2
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
!$OMP END PARALLEL DO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
endif timeSyncing1
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
!$OMP PARALLEL DO PRIVATE(myNgrains,formerSubStep)
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
elementLooping3: do e = FEsolving_execElem(1),FEsolving_execElem(2)
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
do g = 1,myNgrains
! --- wind forward ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
if (crystallite_converged(g,i,e) .and. crystallite_clearToWindForward(i,e)) then
formerSubStep = crystallite_subStep(g,i,e)
crystallite_subFrac(g,i,e) = crystallite_subFrac(g,i,e) + crystallite_subStep(g,i,e)
!$OMP FLUSH(crystallite_subFrac)
crystallite_subStep(g,i,e) = min(1.0_pReal - crystallite_subFrac(g,i,e), &
stepIncreaseCryst * crystallite_subStep(g,i,e))
!$OMP FLUSH(crystallite_subStep)
if (crystallite_subStep(g,i,e) > 0.0_pReal) then
crystallite_subF0(1:3,1:3,g,i,e) = crystallite_subF(1:3,1:3,g,i,e) ! ...def grad
!$OMP FLUSH(crystallite_subF0)
crystallite_subLp0(1:3,1:3,g,i,e) = crystallite_Lp(1:3,1:3,g,i,e) ! ...plastic velocity gradient
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
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
more work on the new state
2014-05-27 20:16:03 +05:30
!if abbrevation, make c and p private in omp
fixed small allocation flaws for new state
2014-05-12 18:30:37 +05:30
plasticState(mappingConstitutive(2,g,i,e))%subState0(:,mappingConstitutive(1,g,i,e)) = &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
plasticState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e))
damageState( mappingConstitutive(2,g,i,e))%subState0(:,mappingConstitutive(1,g,i,e)) = &
damageState( mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e))
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
thermalState(mappingConstitutive(2,g,i,e))%subState0(:,mappingConstitutive(1,g,i,e)) = &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
thermalState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e))
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
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
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
if (iand(debug_level(debug_crystallite),debug_levelBasic) /= 0_pInt &
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) &
write(6,'(a,f12.8,a,f12.8,a,i8,1x,i2,1x,i3,/)') '<< CRYST >> winding forward from ', &
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
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
* 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
last commit also solves problem with infinite loop in case of a cutback in homogenization corrected indentation of a comment
2013-08-02 13:29:55 +05:30
else ! this crystallite just converged for the entire timestep
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
crystallite_todo(g,i,e) = .false. ! so done here
!$OMP FLUSH(crystallite_todo)
remnoved some unused fuctions from use statements
2013-08-02 11:48:41 +05:30
if (iand(debug_level(debug_crystallite),debug_levelBasic) /= 0_pInt &
.and. formerSubStep > 0.0_pReal) then
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
!$OMP CRITICAL (distributionCrystallite)
debug_CrystalliteLoopDistribution(min(nCryst+1_pInt,NiterationCrystallite)) = &
debug_CrystalliteLoopDistribution(min(nCryst+1_pInt,NiterationCrystallite)) + 1_pInt
!$OMP END CRITICAL (distributionCrystallite)
endif
endif
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
! --- cutback ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
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
!$OMP FLUSH(crystallite_subStep)
crystallite_Fp(1:3,1:3,g,i,e) = crystallite_subFp0(1:3,1:3,g,i,e) ! ...plastic def grad
!$OMP FLUSH(crystallite_Fp)
crystallite_invFp(1:3,1:3,g,i,e) = math_inv33(crystallite_Fp(1:3,1:3,g,i,e))
!$OMP FLUSH(crystallite_invFp)
crystallite_Lp(1:3,1:3,g,i,e) = crystallite_subLp0(1:3,1:3,g,i,e) ! ...plastic velocity grad
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
plasticState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e)) = &
plasticState(mappingConstitutive(2,g,i,e))%subState0(:,mappingConstitutive(1,g,i,e))
damageState( mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e)) = &
damageState( mappingConstitutive(2,g,i,e))%subState0(:,mappingConstitutive(1,g,i,e))
thermalState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e)) = &
thermalState(mappingConstitutive(2,g,i,e))%subState0(:,mappingConstitutive(1,g,i,e))
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
crystallite_Tstar_v(1:6,g,i,e) = crystallite_subTstar0_v(1:6,g,i,e) ! ...2nd PK stress
more work on the new state
2014-05-27 20:16:03 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
! cant restore dotState here, since not yet calculated in first cutback after initialization
crystallite_todo(g,i,e) = crystallite_subStep(g,i,e) > subStepMinCryst ! still on track or already done (beyond repair)
!$OMP FLUSH(crystallite_todo)
polishing
2012-11-22 15:28:36 +05:30
#ifndef _OPENMP
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
if (iand(debug_level(debug_crystallite),debug_levelBasic) /= 0_pInt) then
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
if (crystallite_todo(g,i,e)) then
fixed small bug in newstate
2014-07-10 14:17:00 +05:30
write(6,'(a,f12.8,a,i8,1x,i2,1x,i3,/)') '<< CRYST >> cutback step in crystallite_stressAndItsTangent &
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
&with new crystallite_subStep: ',&
crystallite_subStep(g,i,e),' at el ip g ',e,i,g
else
fixed small bug in newstate
2014-07-10 14:17:00 +05:30
write(6,'(a,i8,1x,i2,1x,i3,/)') '<< CRYST >> reached minimum step size &
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
&in crystallite_stressAndItsTangent at el ip g ',e,i,g
endif
endif
polishing
2012-11-22 15:28:36 +05:30
#endif
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
endif
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
! --- prepare for integration ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
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))
!$OMP FLUSH(crystallite_subF)
crystallite_Fe(1:3,1:3,g,i,e) = math_mul33x33(crystallite_subF(1:3,1:3,g,i,e), crystallite_invFp(1:3,1:3,g,i,e))
crystallite_subdt(g,i,e) = crystallite_subStep(g,i,e) * crystallite_dt(g,i,e)
crystallite_converged(g,i,e) = .false. ! start out non-converged
endif
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
enddo ! grains
enddo ! IPs
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
enddo elementLooping3
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
!$OMP END PARALLEL DO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
timeSyncing2: if(numerics_timeSyncing) then
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
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, ...
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) then
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
elementLooping4: do e = FEsolving_execElem(1),FEsolving_execElem(2)
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
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) &
more work on the new state
2014-05-27 20:16:03 +05:30
.and. .not. crystallite_converged(g,i,e) .and. crystallite_subStep(g,i,e) <= subStepMinCryst) &
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> nonlocal violated minimum subStep at el,ip,g ',e,i,g
enddo
enddo
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
enddo elementLooping4
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
endif
where(.not. crystallite_localPlasticity)
crystallite_todo = .false. ! ... so let all nonlocal ips die peacefully
crystallite_subStep = 0.0_pReal
endwhere
endif
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
endif timeSyncing2
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) then
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)
more work on the new state
2014-05-27 20:16:03 +05:30
flush(6)
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
endif
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
! --- integrate --- requires fully defined state array (basic + dependent state)
more work on the new state
2014-05-27 20:16:03 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
if (any(crystallite_todo)) then
select case(numerics_integrator(numerics_integrationMode))
case(1_pInt)
call crystallite_integrateStateFPI()
case(2_pInt)
call crystallite_integrateStateEuler()
case(3_pInt)
call crystallite_integrateStateAdaptiveEuler()
case(4_pInt)
call crystallite_integrateStateRK4()
case(5_pInt)
call crystallite_integrateStateRKCK45()
end select
endif
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
where(.not. crystallite_converged .and. crystallite_subStep > subStepMinCryst) & ! do not try non-converged & fully cutbacked any further
crystallite_todo = .true.
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
NiterationCrystallite = NiterationCrystallite + 1_pInt
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
enddo cutbackLooping
* 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 <<+--
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
elementLooping5: do e = FEsolving_execElem(1),FEsolving_execElem(2)
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
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)
more work on the new state
2014-05-27 20:16:03 +05:30
if(iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) &
debug now reporting elFE in addition to elCP
2014-08-27 21:24:11 +05:30
write(6,'(a,i8,1x,a,i8,a,1x,i2,1x,i3,/)') '<< CRYST >> no convergence: respond fully elastic at el (elFE) ip g ', &
e,'(',mesh_element(1,e),')',i,g
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
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
.or. .not. iand(debug_level(debug_crystallite),debug_levelSelective) /= 0_pInt)) then
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> central solution of cryst_StressAndTangent at el ip g ',e,i,g
write(6,'(/,a,/,3(12x,3(f12.4,1x)/))') '<< CRYST >> P / MPa', &
debug now reporting elFE in addition to elCP
2014-08-27 21:24:11 +05:30
math_transpose33(crystallite_P(1:3,1:3,g,i,e))*1.0e-6_pReal
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
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))
more work on the new state
2014-05-27 20:16:03 +05:30
flush(6)
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
endif
enddo
enddo
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
enddo elementLooping5
* 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
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +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
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
computeJacobian: if(updateJaco) then
jacobianMethod: if (analyticJaco) then
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
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
! --- ANALYTIC JACOBIAN ---
removed old inaccurate analytic jacobian with exact jacobian. seems to work as well as perturbed jacobian and better than the old analytic jacobian for some simple tests.
2014-08-08 02:38:34 +05:30
!$OMP PARALLEL DO PRIVATE(dFedF,dSdF,dSdFe,dLpdS,dFpinvdF,rhs_3333,lhs_3333,temp_3333,temp_99,junk,myNgrains)
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
elementLooping6: 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) ! iterate over IPs of this element to be processed
do g = 1_pInt,myNgrains
removed old inaccurate analytic jacobian with exact jacobian. seems to work as well as perturbed jacobian and better than the old analytic jacobian for some simple tests.
2014-08-08 02:38:34 +05:30
call constitutive_TandItsTangent(junk,dSdFe,crystallite_Fe(1:3,1:3,g,i,e),g,i,e) ! call constitutive law to calculate 2nd Piola-Kirchhoff stress and its derivative
call constitutive_LpAndItsTangent(junk,temp_99,crystallite_Tstar_v(1:6,g,i,e), &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
crystallite_temperature(i,e),g,i,e)
removed old inaccurate analytic jacobian with exact jacobian. seems to work as well as perturbed jacobian and better than the old analytic jacobian for some simple tests.
2014-08-08 02:38:34 +05:30
dLpdS = reshape(temp_99,shape=[3,3,3,3])
rhs_3333 = 0.0_pReal
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
forall(p=1_pInt:3_pInt, o=1_pInt:3_pInt) &
removed old inaccurate analytic jacobian with exact jacobian. seems to work as well as perturbed jacobian and better than the old analytic jacobian for some simple tests.
2014-08-08 02:38:34 +05:30
rhs_3333(p,o,1:3,1:3) = math_mul33x33(dSdFe(p,o,1:3,1:3), &
math_transpose33(crystallite_invFp(1:3,1:3,g,i,e)))
junk = math_mul33x33(math_mul33x33(crystallite_Fe(1:3,1:3,g,i,e), &
crystallite_Fp(1:3,1:3,g,i,e)), &
math_inv33(crystallite_Fp0(1:3,1:3,g,i,e)))
temp_3333 = 0.0_pReal
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
forall(p=1_pInt:3_pInt, o=1_pInt:3_pInt) &
removed old inaccurate analytic jacobian with exact jacobian. seems to work as well as perturbed jacobian and better than the old analytic jacobian for some simple tests.
2014-08-08 02:38:34 +05:30
temp_3333(1:3,1:3,p,o) = math_mul33x33(junk,dLpdS(1:3,1:3,p,o))
lhs_3333 = crystallite_dt(g,i,e)*math_mul3333xx3333(dSdFe,temp_3333)
call math_invert(9_pInt,math_identity2nd(9_pInt)+reshape(lhs_3333,shape=[9,9]),temp_99,error)
if (error) call IO_error(error_ID=400_pInt,ext_msg='analytic tangent inversion')
dSdF = math_mul3333xx3333(reshape(temp_99,shape=[3,3,3,3]),rhs_3333)
temp_3333 = math_mul3333xx3333(dLpdS,dSdF)
dFpinvdF = 0.0_pReal
moved rate sensitivity block to where it belongs to, namely the analytic jacobian calculation
2014-01-22 21:04:10 +05:30
forall(p=1_pInt:3_pInt, o=1_pInt:3_pInt) &
removed old inaccurate analytic jacobian with exact jacobian. seems to work as well as perturbed jacobian and better than the old analytic jacobian for some simple tests.
2014-08-08 02:38:34 +05:30
dFpinvdF(1:3,1:3,p,o) = -crystallite_dt(g,i,e)* &
math_mul33x33(math_inv33(crystallite_Fp0(1:3,1:3,g,i,e)), &
temp_3333(1:3,1:3,p,o))
temp_3333 = 0.0_pReal
moved rate sensitivity block to where it belongs to, namely the analytic jacobian calculation
2014-01-22 21:04:10 +05:30
forall(p=1_pInt:3_pInt, o=1_pInt:3_pInt) &
removed old inaccurate analytic jacobian with exact jacobian. seems to work as well as perturbed jacobian and better than the old analytic jacobian for some simple tests.
2014-08-08 02:38:34 +05:30
temp_3333(o,p,o,1:3) = crystallite_invFp(1:3,p,g,i,e) ! dFe^T_ij/dF_kl = delta_jk * (Fp current^-1)_li
dFedF = 0.0_pReal
moved rate sensitivity block to where it belongs to, namely the analytic jacobian calculation
2014-01-22 21:04:10 +05:30
forall(p=1_pInt:3_pInt, o=1_pInt:3_pInt) &
removed old inaccurate analytic jacobian with exact jacobian. seems to work as well as perturbed jacobian and better than the old analytic jacobian for some simple tests.
2014-08-08 02:38:34 +05:30
dFedF(1:3,1:3,p,o) = temp_3333(1:3,1:3,p,o) + &
use subF instead of F for analytic jacobian calculation
2014-08-15 14:34:00 +05:30
math_mul33x33(crystallite_subF(1:3,1:3,g,i,e), &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
dFpinvdF(1:3,1:3,p,o))
moved rate sensitivity block to where it belongs to, namely the analytic jacobian calculation
2014-01-22 21:04:10 +05:30
removed old inaccurate analytic jacobian with exact jacobian. seems to work as well as perturbed jacobian and better than the old analytic jacobian for some simple tests.
2014-08-08 02:38:34 +05:30
forall(p=1_pInt:3_pInt, 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(1:6,g,i,e))), &
corrections to analytic dPdF calculation
2014-08-10 15:57:35 +05:30
math_transpose33(crystallite_invFp(1:3,1:3,g,i,e))) + & ! dP/dF = dFe/dF * S * Fp^-T...
math_mul33x33(crystallite_Fe(1:3,1:3,g,i,e), &
removed old inaccurate analytic jacobian with exact jacobian. seems to work as well as perturbed jacobian and better than the old analytic jacobian for some simple tests.
2014-08-08 02:38:34 +05:30
math_mul33x33(dSdF(1:3,1:3,o,p), &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
math_transpose33(crystallite_invFp(1:3,1:3,g,i,e)))) + & ! + Fe * dS/dF * Fp^-T
corrections to analytic dPdF calculation
2014-08-10 15:57:35 +05:30
math_mul33x33(crystallite_Fe(1:3,1:3,g,i,e), &
removed old inaccurate analytic jacobian with exact jacobian. seems to work as well as perturbed jacobian and better than the old analytic jacobian for some simple tests.
2014-08-08 02:38:34 +05:30
math_mul33x33(math_Mandel6to33(crystallite_Tstar_v(1:6,g,i,e)), &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
math_transpose33(dFpinvdF(1:3,1:3,p,o)))) ! + Fe * S * dFp^-T/dF
removed old inaccurate analytic jacobian with exact jacobian. seems to work as well as perturbed jacobian and better than the old analytic jacobian for some simple tests.
2014-08-08 02:38:34 +05:30
enddo; enddo
enddo elementLooping6
!$OMP END PARALLEL DO
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
else jacobianMethod
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
! --- STANDARD (PERTURBATION METHOD) FOR JACOBIAN ---
numerics_integrationMode = 2_pInt
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
! --- BACKUP ---
more work on the new state
2014-05-27 20:16:03 +05:30
!$OMP PARALLEL DO PRIVATE(myNgrains)
elementLooping7: 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)
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
more work on the new state
2014-05-27 20:16:03 +05:30
plasticState(mappingConstitutive(2,g,i,e))%state_backup(:,mappingConstitutive(1,g,i,e)) = &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
plasticState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e))
damageState( mappingConstitutive(2,g,i,e))%state_backup(:,mappingConstitutive(1,g,i,e)) = &
damageState( mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e))
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
thermalState(mappingConstitutive(2,g,i,e))%state_backup(:,mappingConstitutive(1,g,i,e)) = &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
thermalState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e))
plasticState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e)) = &
plasticState(mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e))
damageState( mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e)) = &
damageState( mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e))
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
thermalState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e)) = &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
thermalState(mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e))
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
more work on the new state
2014-05-27 20:16:03 +05:30
F_backup(1:3,1:3,g,i,e) = crystallite_subF(1:3,1:3,g,i,e) ! ... and kinematics
Fp_backup(1:3,1:3,g,i,e) = crystallite_Fp(1:3,1:3,g,i,e)
InvFp_backup(1:3,1:3,g,i,e) = crystallite_invFp(1:3,1:3,g,i,e)
Fe_backup(1:3,1:3,g,i,e) = crystallite_Fe(1:3,1:3,g,i,e)
Lp_backup(1:3,1:3,g,i,e) = crystallite_Lp(1:3,1:3,g,i,e)
Tstar_v_backup(1:6,g,i,e) = crystallite_Tstar_v(1:6,g,i,e)
P_backup(1:3,1:3,g,i,e) = crystallite_P(1:3,1:3,g,i,e)
convergenceFlag_backup(g,i,e) = crystallite_converged(g,i,e)
endforall
enddo elementLooping7
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
!$END PARALLEL DO
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
! --- CALCULATE STATE AND STRESS FOR PERTURBATION ---
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
more work on the new state
2014-05-27 20:16:03 +05:30
pertubationLoop: do perturbation = 1,2 ! forward and backward perturbation
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +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)) &
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
write(6,'(a,2(1x,i1),1x,a,/)') '<< CRYST >> [[[[[[ Stiffness perturbation',k,l,']]]]]]'
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
! --- INITIALIZE UNPERTURBED STATE ---
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
select case(numerics_integrator(numerics_integrationMode))
more work on the new state
2014-05-27 20:16:03 +05:30
case(1_pInt)
!why not OMP? ! Fix-point method: restore to last converged state at end of subinc, since this is probably closest to perturbed state
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +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)
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
plasticState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e)) = &
plasticState(mappingConstitutive(2,g,i,e))%state_backup(:,mappingConstitutive(1,g,i,e))
damageState( mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e)) = &
damageState( mappingConstitutive(2,g,i,e))%state_backup(:,mappingConstitutive(1,g,i,e))
thermalState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e)) = &
thermalState(mappingConstitutive(2,g,i,e))%state_backup(:,mappingConstitutive(1,g,i,e))
plasticState(mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e)) = &
plasticState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
damageState( mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e)) = &
damageState( mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
thermalState(mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e)) = &
thermalState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
crystallite_Fp(1:3,1:3,g,i,e) = Fp_backup(1:3,1:3,g,i,e)
perturbation calculation in crystallite_stressAndItsTangent: only backup and restore those chunks of crystallite_Fe, _Fp etc that are actually used in order to avoid pointless data copying in non ping pong mode
2014-01-21 22:05:12 +05:30
crystallite_invFp(1:3,1:3,g,i,e) = InvFp_backup(1:3,1:3,g,i,e)
crystallite_Fe(1:3,1:3,g,i,e) = Fe_backup(1:3,1:3,g,i,e)
crystallite_Lp(1:3,1:3,g,i,e) = Lp_backup(1:3,1:3,g,i,e)
crystallite_Tstar_v(1:6,g,i,e) = Tstar_v_backup(1:6,g,i,e)
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
endforall
enddo
fixed small allocation flaws for new state
2014-05-12 18:30:37 +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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
case(4_pInt,5_pInt)
more work on the new state
2014-05-27 20:16:03 +05:30
!why not OMP? ! explicit Runge-Kutta methods: restore to start of subinc, since we are doing a full integration of state and stress
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +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)
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
plasticState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e)) = &
plasticState(mappingConstitutive(2,g,i,e))%subState0(:,mappingConstitutive(1,g,i,e))
damageState( mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e)) = &
damageState( mappingConstitutive(2,g,i,e))%subState0(:,mappingConstitutive(1,g,i,e))
thermalState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e)) = &
thermalState(mappingConstitutive(2,g,i,e))%subState0(:,mappingConstitutive(1,g,i,e))
plasticState(mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e)) = &
plasticState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
damageState( mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e)) = &
damageState( mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
thermalState(mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e)) = &
thermalState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
crystallite_Fp(1:3,1:3,g,i,e) = crystallite_subFp0(1:3,1:3,g,i,e)
perturbation calculation in crystallite_stressAndItsTangent: only backup and restore those chunks of crystallite_Fe, _Fp etc that are actually used in order to avoid pointless data copying in non ping pong mode
2014-01-21 22:05:12 +05:30
crystallite_Fe(1:3,1:3,g,i,e) = crystallite_subFe0(1:3,1:3,g,i,e)
crystallite_Lp(1:3,1:3,g,i,e) = crystallite_subLp0(1:3,1:3,g,i,e)
crystallite_Tstar_v(1:6,g,i,e) = crystallite_subTstar0_v(1:6,g,i,e)
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
endforall
enddo
end select
! --- PERTURB EITHER FORWARD OR BACKWARD ---
more work on the new state
2014-05-27 20:16:03 +05:30
!why not OMP?
setting todo and converged flag only for those e,i,g that are to be executed (FE_elemExec etc) used to spoil convergence checking in non ping pong mode and lead to slow performance
2014-01-21 21:39:00 +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,myNgrains
crystallite_subF(1:3,1:3,g,i,e) = F_backup(1:3,1:3,g,i,e)
crystallite_subF(k,l,g,i,e) = crystallite_subF(k,l,g,i,e) + myPert
crystallite_todo(g,i,e) = crystallite_requested(g,i,e) &
.and. convergenceFlag_backup(g,i,e)
more work on the new state
2014-05-27 20:16:03 +05:30
if (crystallite_todo(g,i,e)) crystallite_converged(g,i,e) = .false. ! start out non-converged
setting todo and converged flag only for those e,i,g that are to be executed (FE_elemExec etc) used to spoil convergence checking in non ping pong mode and lead to slow performance
2014-01-21 21:39:00 +05:30
enddo; enddo; enddo
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
more work on the new state
2014-05-27 20:16:03 +05:30
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
select case(numerics_integrator(numerics_integrationMode))
case(1_pInt)
call crystallite_integrateStateFPI()
case(2_pInt)
call crystallite_integrateStateEuler()
case(3_pInt)
call crystallite_integrateStateAdaptiveEuler()
case(4_pInt)
call crystallite_integrateStateRK4()
case(5_pInt)
call crystallite_integrateStateRKCK45()
end select
more work on the new state
2014-05-27 20:16:03 +05:30
!why not OMP?
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
elementLooping8: 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, &
more work on the new state
2014-05-27 20:16:03 +05:30
crystallite_requested(g,i,e) .and. crystallite_converged(g,i,e)) & ! converged state warrants stiffness update
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
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
case(2_pInt)
forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), g = 1:myNgrains, &
more work on the new state
2014-05-27 20:16:03 +05:30
crystallite_requested(g,i,e) .and. crystallite_converged(g,i,e)) & ! converged state warrants stiffness update
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
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
end select
enddo elementLooping8
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
more work on the new state
2014-05-27 20:16:03 +05:30
enddo; enddo ! k,l component perturbation loop
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
endif
more work on the new state
2014-05-27 20:16:03 +05:30
enddo pertubationLoop
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
! --- STIFFNESS ACCORDING TO PERTURBATION METHOD AND CONVERGENCE ---
elementLooping9: do e = FEsolving_execElem(1),FEsolving_execElem(2)
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, &
crystallite_requested(g,i,e) .and. convergenceFlag_backup(g,i,e)) & ! perturbation mode 1: central solution converged
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, &
crystallite_requested(g,i,e) .and. convergenceFlag_backup(g,i,e)) & ! perturbation mode 2: central solution converged
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, &
crystallite_requested(g,i,e) .and. convergenceFlag_backup(g,i,e)) & ! perturbation mode 3: central solution converged
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, &
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
enddo elementLooping9
! --- RESTORE ---
more work on the new state
2014-05-27 20:16:03 +05:30
!why not OMP?
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
elementLooping10: 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)
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
plasticState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e)) = &
plasticState(mappingConstitutive(2,g,i,e))%state_backup(:,mappingConstitutive(1,g,i,e))
damageState( mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e)) = &
damageState( mappingConstitutive(2,g,i,e))%state_backup(:,mappingConstitutive(1,g,i,e))
thermalState(mappingConstitutive(2,g,i,e))%state( :,mappingConstitutive(1,g,i,e)) = &
thermalState(mappingConstitutive(2,g,i,e))%state_backup(:,mappingConstitutive(1,g,i,e))
plasticState(mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e)) = &
plasticState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
damageState( mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e)) = &
damageState( mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
thermalState(mappingConstitutive(2,g,i,e))%dotState( :,mappingConstitutive(1,g,i,e)) = &
thermalState(mappingConstitutive(2,g,i,e))%dotState_backup(:,mappingConstitutive(1,g,i,e))
perturbation calculation in crystallite_stressAndItsTangent: only backup and restore those chunks of crystallite_Fe, _Fp etc that are actually used in order to avoid pointless data copying in non ping pong mode (missed some part in last commit)
2014-01-21 23:58:21 +05:30
crystallite_subF(1:3,1:3,g,i,e) = F_backup(1:3,1:3,g,i,e)
crystallite_Fp(1:3,1:3,g,i,e) = Fp_backup(1:3,1:3,g,i,e)
crystallite_invFp(1:3,1:3,g,i,e) = InvFp_backup(1:3,1:3,g,i,e)
crystallite_Fe(1:3,1:3,g,i,e) = Fe_backup(1:3,1:3,g,i,e)
crystallite_Lp(1:3,1:3,g,i,e) = Lp_backup(1:3,1:3,g,i,e)
crystallite_Tstar_v(1:6,g,i,e) = Tstar_v_backup(1:6,g,i,e)
crystallite_P(1:3,1:3,g,i,e) = P_backup(1:3,1:3,g,i,e)
crystallite_converged(g,i,e) = convergenceFlag_backup(g,i,e)
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
endforall
enddo elementLooping10
moved rate sensitivity block to where it belongs to, namely the analytic jacobian calculation
2014-01-22 21:04:10 +05:30
endif jacobianMethod
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
endif computeJacobian
more work on the new state
2014-05-27 20:16:03 +05:30
!why not OMP?
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
elementLooping12: 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) ! iterate over IPs of this element to be processed
do g = 1,myNgrains
crystallite_heat(g,i,e) = 0.98_pReal* &
fixed bug in heat generation and analytic jacobian calculations
2013-12-18 15:49:48 +05:30
abs(math_mul33xx33(math_Mandel6to33(crystallite_Tstar_v(1:6,g,i,e)), &
crystallite_Lp(1:3,1:3,g,i,e)))
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
! constitutive_localDamage(g,i,e) = &
! 1.0_pReal* &
! sum(math_Mandel6to33(crystallite_Tstar_v(1:6,g,i,e)/constitutive_gradientDamage(g,i,e))* &
! (math_mul33x33(math_transpose33(crystallite_Fe(1:3,1:3,g,i,e)), &
! crystallite_Fe(1:3,1:3,g,i,e))-math_I3))/4.0_pReal + &
! 0.0_pReal* &
! sum(abs(math_mul33x33(math_transpose33(crystallite_Fp(1:3,1:3,g,i,e)), &
! crystallite_Fp(1:3,1:3,g,i,e))-math_I3)/2.0_pReal)
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
enddo
enddo
enddo elementLooping12
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
!--------------------------------------------------------------------------------------------------
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
!> @brief integrate stress, state with 4th order explicit Runge Kutta method
doxygen comments
2013-02-22 04:38:36 +05:30
!--------------------------------------------------------------------------------------------------
simplified logic for single run, now not checking for extra arguments but simply checking if start and end elem/IP are the same
2013-04-26 18:53:36 +05:30
subroutine crystallite_integrateStateRK4()
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
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: &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
FEsolving_execElem, &
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
FEsolving_execIP
use mesh, only: &
mesh_element, &
mesh_NcpElems, &
mesh_maxNips
use material, only: &
homogenization_Ngrains, &
fixed small allocation flaws for new state
2014-05-12 18:30:37 +05:30
plasticState, &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
damageState, &
thermalState, &
moved mappings for new state layout to material
2014-06-23 00:28:29 +05:30
mappingConstitutive, &
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
homogenization_maxNgrains
use constitutive, only: &
more work on the new state
2014-05-27 20:16:03 +05:30
constitutive_collectDotState, &
moved mappings for new state layout to material
2014-06-23 00:28:29 +05:30
constitutive_microstructure
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
implicit none
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
real(pReal), dimension(4), parameter :: &
more work on the new state
2014-05-27 20:16:03 +05:30
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
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
real(pReal), dimension(4), parameter :: &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
WEIGHT = [1.0_pReal, 2.0_pReal, 2.0_pReal, 1.0_pReal/6.0_pReal] ! weight of slope used for Runge Kutta integration (final weight divided by 6)
simplified logic for single run, now not checking for extra arguments but simply checking if start and end elem/IP are the same
2013-04-26 18:53:36 +05:30
more work on the new state
2014-05-27 20:16:03 +05:30
integer(pInt) :: e, & ! element index in element loop
doxygen comments
2013-02-22 04:38:36 +05:30
i, & ! integration point index in ip loop
g, & ! grain index in grain loop
more work on the new state
2014-05-27 20:16:03 +05:30
p, & ! phase loop
c, &
doxygen comments
2013-02-22 04:38:36 +05:30
n, &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
mySizePlasticDotState, &
mySizeDamageDotState, &
mySizeThermalDotState
doxygen comments
2013-02-22 04:38:36 +05:30
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
fixed out of range bug introduced with singleRun changes in rev. 2356
2013-04-30 17:44:07 +05:30
logical :: singleRun ! flag indicating computation for single (g,i,e) triple
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
simplified logic for single run, now not checking for extra arguments but simply checking if start and end elem/IP are the same
2013-04-26 18:53:36 +05:30
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
fixed out of range bug introduced with singleRun changes in rev. 2356
2013-04-30 17:44:07 +05:30
singleRun = (eIter(1) == eIter(2) .and. iIter(1,eIter(1)) == iIter(2,eIter(2)))
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
more work on the new state
2014-05-27 20:16:03 +05:30
!--------------------------------------------------------------------------------------------------
! initialize dotState
if (.not. singleRun) then
forall(p = 1_pInt:size(plasticState)) plasticState(p)%RK4dotState = 0.0_pReal
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
forall(p = 1_pInt:size(damageState)) damageState(p)%RK4dotState = 0.0_pReal
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
forall(p = 1_pInt:size(thermalState)) thermalState(p)%RK4dotState = 0.0_pReal
more work on the new state
2014-05-27 20:16:03 +05:30
else
e = eIter(1)
i = iIter(1,e)
do g = iIter(1,e), iIter(2,e)
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
plasticState(mappingConstitutive(2,g,i,e))%RK4dotState(:,mappingConstitutive(1,g,i,e)) = 0.0_pReal
damageState( mappingConstitutive(2,g,i,e))%RK4dotState(:,mappingConstitutive(1,g,i,e)) = 0.0_pReal
thermalState(mappingConstitutive(2,g,i,e))%RK4dotState(:,mappingConstitutive(1,g,i,e)) = 0.0_pReal
more work on the new state
2014-05-27 20:16:03 +05:30
enddo
endif
!--------------------------------------------------------------------------------------------------
! first Runge-Kutta step
!$OMP PARALLEL
!$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
subsumed constitutive_damage/thermal into constitutive
2014-09-23 16:08:20 +05:30
if (crystallite_todo(g,i,e)) &
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, &
crystallite_Fp, crystallite_temperature(i,e), &
crystallite_subdt(g,i,e), crystallite_subFrac, g,i,e)
doxygen comments
2013-02-22 04:38:36 +05:30
enddo; enddo; enddo
!$OMP ENDDO
more work on the new state
2014-05-27 20:16:03 +05:30
!$OMP DO PRIVATE(p,c)
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
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
c = mappingConstitutive(1,g,i,e)
p = mappingConstitutive(2,g,i,e)
if ( any(plasticState(p)%dotState(:,c) /= plasticState(p)%dotState(:,c)) .or.&
any(damageState(p)%dotState(:,c) /= damageState(p)%dotState(:,c)) .or.&
any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c))) then ! NaN occured in dotState
more work on the new state
2014-05-27 20:16:03 +05:30
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP CRITICAL (checkTodo)
more work on the new state
2014-05-27 20:16:03 +05:30
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP END CRITICAL (checkTodo)
more work on the new state
2014-05-27 20:16:03 +05:30
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
doxygen comments
2013-02-22 04:38:36 +05:30
endif
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
!$OMP END PARALLEL
more work on the new state
2014-05-27 20:16:03 +05:30
!--------------------------------------------------------------------------------------------------
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
! --- SECOND TO FOURTH RUNGE KUTTA STEP PLUS FINAL INTEGRATION ---
more work on the new state
2014-05-27 20:16:03 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
do n = 1_pInt,4_pInt
! --- state update ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
!$OMP PARALLEL
more work on the new state
2014-05-27 20:16:03 +05:30
!$OMP DO PRIVATE(p,c)
doxygen comments
2013-02-22 04:38:36 +05:30
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
p = mappingConstitutive(2,g,i,e)
more work on the new state
2014-05-27 20:16:03 +05:30
c = mappingConstitutive(1,g,i,e)
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
plasticState(p)%RK4dotState(:,c) = plasticState(p)%RK4dotState(:,c) &
+ weight(n)*plasticState(p)%dotState(:,c)
damageState(p)%RK4dotState(:,c) = damageState(p)%RK4dotState(:,c) &
+ weight(n)*damageState(p)%dotState(:,c)
thermalState(p)%RK4dotState(:,c) = thermalState(p)%RK4dotState(:,c) &
+ weight(n)*thermalState(p)%dotState(:,c)
doxygen comments
2013-02-22 04:38:36 +05:30
endif
enddo; enddo; enddo
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
!$OMP ENDDO
more work on the new state
2014-05-27 20:16:03 +05:30
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,p,c)
doxygen comments
2013-02-22 04:38:36 +05:30
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
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
p = mappingConstitutive(2,g,i,e)
c = mappingConstitutive(1,g,i,e)
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
mySizePlasticDotState = plasticState(p)%sizeDotState
mySizeDamageDotState = damageState(p)%sizeDotState
mySizeThermalDotState = thermalState(p)%sizeDotState
general polishing; simplification of RKCK45 dotstate assembly for different stages.
2014-09-03 01:41:57 +05:30
plasticState(p)%state(1:mySizePlasticDotState,c) = plasticState(p)%subState0(1:mySizePlasticDotState,c) &
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2014-06-25 04:51:25 +05:30
+ plasticState(p)%dotState (1:mySizePlasticDotState,c) &
* crystallite_subdt(g,i,e) * timeStepFraction(n)
general polishing; simplification of RKCK45 dotstate assembly for different stages.
2014-09-03 01:41:57 +05:30
damageState( p)%state(1:mySizeDamageDotState,c) = damageState(p)%subState0(1:mySizeDamageDotState,c) &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
+ damageState(p)%dotState (1:mySizeDamageDotState,c) &
* crystallite_subdt(g,i,e) * timeStepFraction(n)
general polishing; simplification of RKCK45 dotstate assembly for different stages.
2014-09-03 01:41:57 +05:30
thermalState(p)%state(1:mySizeThermalDotState,c) = thermalState(p)%subState0(1:mySizeThermalDotState,c) &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
+ thermalState(p)%dotState (1:mySizeThermalDotState,c) &
* crystallite_subdt(g,i,e) * timeStepFraction(n)
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
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
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
if (n == 4 &
.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 ! final integration step
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
write(6,'(a,i8,1x,i2,1x,i3,/)') '<< CRYST >> updateState at el ip g ',e,i,g
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> dotState', plasticState(p)%dotState(1:mySizePlasticDotState,c)
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> new state', plasticState(p)%state(1:mySizePlasticDotState,c)
doxygen comments
2013-02-22 04:38:36 +05:30
endif
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
#endif
doxygen comments
2013-02-22 04:38:36 +05:30
endif
enddo; enddo; enddo
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
!$OMP ENDDO
doxygen comments
2013-02-22 04:38:36 +05:30
! --- state jump ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --- update dependent states ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
subsumed constitutive_damage/thermal into constitutive
2014-09-23 16:08:20 +05:30
if (crystallite_todo(g,i,e)) &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
call constitutive_microstructure(crystallite_temperature(i,e), &
subsumed constitutive_damage/thermal into constitutive
2014-09-23 16:08:20 +05:30
crystallite_Tstar_v(1:6,g,i,e), &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
crystallite_Fe(1:3,1:3,g,i,e), &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
doxygen comments
2013-02-22 04:38:36 +05:30
enddo; enddo; enddo
!$OMP ENDDO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --- stress integration ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$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
!$OMP END CRITICAL (checkTodo)
endif
endif
enddo; enddo; enddo
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
!$OMP ENDDO
doxygen comments
2013-02-22 04:38:36 +05:30
! --- dot state and RK dot state---
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
first3steps: if (n < 4) then
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
subsumed constitutive_damage/thermal into constitutive
2014-09-23 16:08:20 +05:30
if (crystallite_todo(g,i,e)) &
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, &
crystallite_Fp, crystallite_temperature(i,e), &
timeStepFraction(n)*crystallite_subdt(g,i,e), & ! fraction of original timestep
doxygen comments
2013-02-22 04:38:36 +05:30
crystallite_subFrac, g,i,e)
enddo; enddo; enddo
!$OMP ENDDO
more work on the new state
2014-05-27 20:16:03 +05:30
!$OMP DO PRIVATE(p,c)
doxygen comments
2013-02-22 04:38:36 +05:30
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
p = mappingConstitutive(2,g,i,e)
c = mappingConstitutive(1,g,i,e)
if ( any(plasticState(p)%dotState(:,c) /= plasticState(p)%dotState(:,c)) .or.&
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
any(damageState(p)%dotState(:,c) /= damageState(p)%dotState(:,c)) .or.&
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c))) then ! NaN occured in dotState
more work on the new state
2014-05-27 20:16:03 +05:30
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
doxygen comments
2013-02-22 04:38:36 +05:30
endif
enddo; enddo; enddo
!$OMP ENDDO
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
endif first3steps
more work on the new state
2014-05-27 20:16:03 +05:30
!$OMP END PARALLEL
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
enddo
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --- SET CONVERGENCE FLAG ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --- CHECK NONLOCAL CONVERGENCE ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
if (.not. singleRun) then ! if not requesting Integration of just a single IP
doxygen comments
2013-02-22 04:38:36 +05:30
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +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_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
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!--------------------------------------------------------------------------------------------------
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!> @brief integrate stress, state with 5th order Runge-Kutta Cash-Karp method with
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!> adaptive step size (use 5th order solution to advance = "local extrapolation")
!--------------------------------------------------------------------------------------------------
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subroutine crystallite_integrateStateRKCK45()
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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, &
numerics_integrationMode
use FEsolving, only: &
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FEsolving_execElem, &
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FEsolving_execIP
use mesh, only: &
mesh_element, &
mesh_NcpElems, &
mesh_maxNips
use material, only: &
homogenization_Ngrains, &
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plasticState, &
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damageState, &
thermalState, &
moved mappings for new state layout to material
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mappingConstitutive, &
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homogenization_maxNgrains
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constitutive_collectDotState, &
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constitutive_maxSizeDotState, &
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constitutive_damage_maxSizeDotState, &
constitutive_thermal_maxSizeDotState, &
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constitutive_microstructure
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implicit none
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real(pReal), dimension(5,5), parameter :: &
A = reshape([&
.2_pReal, .075_pReal, .3_pReal, -11.0_pReal/54.0_pReal, 1631.0_pReal/55296.0_pReal, &
.0_pReal, .225_pReal, -.9_pReal, 2.5_pReal, 175.0_pReal/512.0_pReal, &
.0_pReal, .0_pReal, 1.2_pReal, -70.0_pReal/27.0_pReal, 575.0_pReal/13824.0_pReal, &
.0_pReal, .0_pReal, .0_pReal, 35.0_pReal/27.0_pReal, 44275.0_pReal/110592.0_pReal, &
.0_pReal, .0_pReal, .0_pReal, .0_pReal, 253.0_pReal/4096.0_pReal], &
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[5,5], order=[2,1]) !< coefficients in Butcher tableau (used for preliminary integration in stages 2 to 6)
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real(pReal), dimension(6), parameter :: &
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B = &
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[37.0_pReal/378.0_pReal, .0_pReal, 250.0_pReal/621.0_pReal, &
125.0_pReal/594.0_pReal, .0_pReal, 512.0_pReal/1771.0_pReal], & !< coefficients in Butcher tableau (used for final integration and error estimate)
DB = B - &
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[2825.0_pReal/27648.0_pReal, .0_pReal, 18575.0_pReal/48384.0_pReal,&
13525.0_pReal/55296.0_pReal, 277.0_pReal/14336.0_pReal, 0.25_pReal] !< coefficients in Butcher tableau (used for final integration and error estimate)
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real(pReal), dimension(5), parameter :: &
C = [0.2_pReal, 0.3_pReal, 0.6_pReal, 1.0_pReal, 0.875_pReal] !< coefficients in Butcher tableau (fractions of original time step in stages 2 to 6)
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integer(pInt) :: &
e, & ! element index in element loop
i, & ! integration point index in ip loop
g, & ! grain index in grain loop
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stage, & ! stage index in integration stage loop
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s, & ! state index
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n, &
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p, &
cc, &
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mySizePlasticDotState, & ! size of dot States
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mySizeDamageDotState, &
mySizeThermalDotState
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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
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real(pReal), dimension(constitutive_maxSizeDotState,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
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stateResiduum, & ! residuum from evolution in microstructure
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relStateResiduum ! relative residuum from evolution in microstructure
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real(pReal), dimension(constitutive_damage_maxSizeDotState,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
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damageStateResiduum, & ! residuum from evolution in microstructure
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relDamageStateResiduum ! relative residuum from evolution in microstructure
real(pReal), dimension(constitutive_thermal_maxSizeDotState,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
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thermalStateResiduum, & ! residuum from evolution in microstructure
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relThermalStateResiduum ! relative residuum from evolution in microstructure
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logical :: &
singleRun ! flag indicating computation for single (g,i,e) triple
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eIter = FEsolving_execElem(1:2)
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) &
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write(6,'(a,1x,i1)') '<< CRYST >> Runge--Kutta step',1
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! --- LOOP ITERATOR FOR ELEMENT, GRAIN, IP ---
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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
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singleRun = (eIter(1) == eIter(2) .and. iIter(1,eIter(1)) == iIter(2,eIter(2)))
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! --- FIRST RUNGE KUTTA STEP ---
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!$OMP PARALLEL
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!$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
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if (crystallite_todo(g,i,e)) &
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call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, &
crystallite_Fp, crystallite_temperature(i,e), &
crystallite_subdt(g,i,e), crystallite_subFrac, g,i,e)
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enddo; enddo; enddo
!$OMP ENDDO
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!$OMP DO PRIVATE(p,cc)
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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
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
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cc = mappingConstitutive(1,g,i,e)
p = mappingConstitutive(2,g,i,e)
if ( any(plasticState(p)%dotState(:,cc) /= plasticState(p)%dotState(:,cc)) .or.&
any(damageState(p)%dotState(:,cc) /= damageState(p)%dotState(:,cc)) .or.&
any(thermalState(p)%dotState(:,cc) /= thermalState(p)%dotState(:,cc))) then ! NaN occured in dotState
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if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
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endif
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization. * Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
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enddo; enddo; enddo
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!$OMP ENDDO
!$OMP END PARALLEL
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! --- SECOND TO SIXTH RUNGE KUTTA STEP ---
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do stage = 1_pInt,5_pInt
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! --- state update ---
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!$OMP PARALLEL
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!$OMP DO PRIVATE(p,cc)
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do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
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p = mappingConstitutive(2,g,i,e)
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cc = mappingConstitutive(1,g,i,e)
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plasticState(p)%RKCK45dotState(stage,:,cc) = plasticState(p)%dotState(:,cc) ! store Runge-Kutta dotState
damageState(p)%RKCK45dotState(stage,:,cc) = damageState(p)%dotState(:,cc) ! store Runge-Kutta dotState
thermalState(p)%RKCK45dotState(stage,:,cc) = thermalState(p)%dotState(:,cc) ! store Runge-Kutta dotState
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endif
enddo; enddo; enddo
!$OMP ENDDO
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!$OMP DO PRIVATE(p,cc,n)
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do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
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p = mappingConstitutive(2,g,i,e)
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cc = mappingConstitutive(1,g,i,e)
changed to new state, please report bugs to Luv or Martin
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plasticState(p)%dotState(:,cc) = A(1,stage) * plasticState(p)%RKCK45dotState(1,:,cc)
damageState( p)%dotState(:,cc) = A(1,stage) * damageState( p)%RKCK45dotState(1,:,cc)
thermalState(p)%dotState(:,cc) = A(1,stage) * thermalState(p)%RKCK45dotState(1,:,cc)
do n = 2_pInt, stage
plasticState(p)%dotState(:,cc) = &
plasticState(p)%dotState(:,cc) + A(n,stage) * plasticState(p)%RKCK45dotState(n,:,cc)
damageState( p)%dotState(:,cc) = &
damageState( p)%dotState(:,cc) + A(n,stage) * damageState( p)%RKCK45dotState(n,:,cc)
thermalState(p)%dotState(:,cc) = &
thermalState(p)%dotState(:,cc) + A(n,stage) * thermalState(p)%RKCK45dotState(n,:,cc)
enddo
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endif
enddo; enddo; enddo
!$OMP ENDDO
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!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,p,cc)
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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
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p = mappingConstitutive(2,g,i,e)
cc = mappingConstitutive(1,g,i,e)
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mySizePlasticDotState = plasticState(p)%sizeDotState
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
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mySizeDamageDotState = damageState( p)%sizeDotState
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mySizeThermalDotState = thermalState(p)%sizeDotState
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
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plasticState(p)%state(1:mySizePlasticDotState,cc) = plasticState(p)%subState0(1:mySizePlasticDotState,cc) &
+ plasticState(p)%dotState (1:mySizePlasticDotState,cc) &
* crystallite_subdt(g,i,e)
damageState(p)%state(1:mySizeDamageDotState,cc) = damageState(p)%subState0( 1:mySizeDamageDotState,cc) &
+ damageState(p)%dotState ( 1:mySizeDamageDotState,cc) &
* crystallite_subdt(g,i,e)
thermalState(p)%state(1:mySizeThermalDotState,cc) = thermalState(p)%subState0(1:mySizeThermalDotState,cc) &
+ thermalState(p)%dotState (1:mySizeThermalDotState,cc) &
* crystallite_subdt(g,i,e)
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endif
enddo; enddo; enddo
!$OMP ENDDO
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! --- state jump ---
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!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$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
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! --- update dependent states ---
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!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
subsumed constitutive_damage/thermal into constitutive
2014-09-23 16:08:20 +05:30
if (crystallite_todo(g,i,e)) &
call constitutive_microstructure(crystallite_temperature(i,e), &
crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Fe(1:3,1:3,g,i,e), &
doxygen comments
2013-02-22 04:38:36 +05:30
crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
enddo; enddo; enddo
!$OMP ENDDO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --- stress integration ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
general polishing; simplification of RKCK45 dotstate assembly for different stages.
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crystallite_todo(g,i,e) = crystallite_integrateStress(g,i,e,C(stage)) ! fraction of original time step
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP FLUSH(crystallite_todo)
if (.not. crystallite_todo(g,i,e) .and. .not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
endif
endif
enddo; enddo; enddo
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
!$OMP ENDDO
doxygen comments
2013-02-22 04:38:36 +05:30
! --- 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.
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#ifndef _OPENMP
more work on the new state
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) &
general polishing; simplification of RKCK45 dotstate assembly for different stages.
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write(6,'(a,1x,i1)') '<< CRYST >> Runge--Kutta step',stage+1_pInt
* 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
2013-02-22 04:38:36 +05:30
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
subsumed constitutive_damage/thermal into constitutive
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if (crystallite_todo(g,i,e)) &
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, &
crystallite_Fp, crystallite_temperature(i,e), &
general polishing; simplification of RKCK45 dotstate assembly for different stages.
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C(stage)*crystallite_subdt(g,i,e), & ! fraction of original timestep
doxygen comments
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crystallite_subFrac, g,i,e)
enddo; enddo; enddo
!$OMP ENDDO
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
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!$OMP DO PRIVATE(p,cc)
doxygen comments
2013-02-22 04:38:36 +05:30
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
p = mappingConstitutive(2,g,i,e)
cc = mappingConstitutive(1,g,i,e)
if ( any(plasticState(p)%dotState(:,cc) /= plasticState(p)%dotState(:,cc)) .or.&
any(damageState(p)%dotState(:,cc) /= damageState(p)%dotState(:,cc)) .or.&
any(thermalState(p)%dotState(:,cc) /= thermalState(p)%dotState(:,cc))) then ! NaN occured in dotState
doxygen comments
2013-02-22 04:38:36 +05:30
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
enddo
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
!--------------------------------------------------------------------------------------------------
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
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! --- STATE UPDATE WITH ERROR ESTIMATE FOR STATE ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
relStateResiduum = 0.0_pReal
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
relDamageStateResiduum = 0.0_pReal
relThermalStateResiduum = 0.0_pReal
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
!$OMP PARALLEL
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
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!$OMP DO PRIVATE(p,cc)
doxygen comments
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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
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
p = mappingConstitutive(2,g,i,e)
cc = mappingConstitutive(1,g,i,e)
plasticState(p)%RKCK45dotState(6,:,cc) = plasticState(p)%dotState(:,cc) ! store Runge-Kutta dotState
damageState( p)%RKCK45dotState(6,:,cc) = damageState( p)%dotState(:,cc) ! store Runge-Kutta dotState
thermalState(p)%RKCK45dotState(6,:,cc) = thermalState(p)%dotState(:,cc) ! store Runge-Kutta dotState
doxygen comments
2013-02-22 04:38:36 +05:30
endif
enddo; enddo; enddo
!$OMP ENDDO
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,p,cc)
doxygen comments
2013-02-22 04:38:36 +05:30
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
p = mappingConstitutive(2,g,i,e)
cc = mappingConstitutive(1,g,i,e)
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
mySizePlasticDotState = plasticState(p)%sizeDotState
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
mySizeDamageDotState = damageState( p)%sizeDotState
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
mySizeThermalDotState = thermalState(p)%sizeDotState
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
more work on the new state
2014-05-27 20:16:03 +05:30
! --- absolute residuum in state ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
! NEED TO DO THE ADDITION IN THIS LENGTHY WAY BECAUSE OF PARALLELIZATION
more work on the new state
2014-05-27 20:16:03 +05:30
! CAN'T USE A REDUCTION CLAUSE ON A POINTER OR USER DEFINED TYPE
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
stateResiduum(1:mySizePlasticDotState,g,i,e) = &
( DB(1) * plasticState(p)%RKCK45dotState(1,1:mySizePlasticDotState,cc) &
+ DB(2) * plasticState(p)%RKCK45dotState(2,1:mySizePlasticDotState,cc) &
+ DB(3) * plasticState(p)%RKCK45dotState(3,1:mySizePlasticDotState,cc) &
+ DB(4) * plasticState(p)%RKCK45dotState(4,1:mySizePlasticDotState,cc) &
+ DB(5) * plasticState(p)%RKCK45dotState(5,1:mySizePlasticDotState,cc) &
+ DB(6) * plasticState(p)%RKCK45dotState(6,1:mySizePlasticDotState,cc) &
) * crystallite_subdt(g,i,e)
damageStateResiduum(1:mySizeDamageDotState,g,i,e) = &
( DB(1) * damageState(p)%RKCK45dotState(1,1:mySizeDamageDotState,cc) &
+ DB(2) * damageState(p)%RKCK45dotState(2,1:mySizeDamageDotState,cc) &
+ DB(3) * damageState(p)%RKCK45dotState(3,1:mySizeDamageDotState,cc) &
+ DB(4) * damageState(p)%RKCK45dotState(4,1:mySizeDamageDotState,cc) &
+ DB(5) * damageState(p)%RKCK45dotState(5,1:mySizeDamageDotState,cc) &
+ DB(6) * damageState(p)%RKCK45dotState(6,1:mySizeDamageDotState,cc) &
) * crystallite_subdt(g,i,e)
thermalStateResiduum(1:mySizethermalDotState,g,i,e) = &
( DB(1) * thermalState(p)%RKCK45dotState(1,1:mySizeThermalDotState,cc) &
+ DB(2) * thermalState(p)%RKCK45dotState(2,1:mySizeThermalDotState,cc) &
+ DB(3) * thermalState(p)%RKCK45dotState(3,1:mySizeThermalDotState,cc) &
+ DB(4) * thermalState(p)%RKCK45dotState(4,1:mySizeThermalDotState,cc) &
+ DB(5) * thermalState(p)%RKCK45dotState(5,1:mySizeThermalDotState,cc) &
+ DB(6) * thermalState(p)%RKCK45dotState(6,1:mySizeThermalDotState,cc) &
) * crystallite_subdt(g,i,e)
more work on the new state
2014-05-27 20:16:03 +05:30
! --- dot state ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
plasticState(p)%dotState (:,cc) = B(1) * plasticState(p)%RKCK45dotState(1,:,cc) &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
+ B(2) * plasticState(p)%RKCK45dotState(2,:,cc) &
+ B(3) * plasticState(p)%RKCK45dotState(3,:,cc) &
+ B(4) * plasticState(p)%RKCK45dotState(4,:,cc) &
+ B(5) * plasticState(p)%RKCK45dotState(5,:,cc) &
+ B(6) * plasticState(p)%RKCK45dotState(6,:,cc)
damageState(p)%dotState (:,cc) = B(1) * damageState( p)%RKCK45dotState(1,:,cc) &
+ B(2) * damageState( p)%RKCK45dotState(2,:,cc) &
+ B(3) * damageState( p)%RKCK45dotState(3,:,cc) &
+ B(4) * damageState( p)%RKCK45dotState(4,:,cc) &
+ B(5) * damageState( p)%RKCK45dotState(5,:,cc) &
+ B(6) * damageState( p)%RKCK45dotState(6,:,cc)
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
thermalState(p)%dotState (:,cc) = B(1) * thermalState(p)%RKCK45dotState(1,:,cc) &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
+ B(2) * thermalState(p)%RKCK45dotState(2,:,cc) &
+ B(3) * thermalState(p)%RKCK45dotState(3,:,cc) &
+ B(4) * thermalState(p)%RKCK45dotState(4,:,cc) &
+ B(5) * thermalState(p)%RKCK45dotState(5,:,cc) &
+ B(6) * thermalState(p)%RKCK45dotState(6,:,cc)
doxygen comments
2013-02-22 04:38:36 +05:30
endif
enddo; enddo; enddo
!$OMP ENDDO
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
! --- state and update ---
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,p,cc)
doxygen comments
2013-02-22 04:38:36 +05:30
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
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
p = mappingConstitutive(2,g,i,e)
cc = mappingConstitutive(1,g,i,e)
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
mySizePlasticDotState = plasticState(p)%sizeDotState
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
mySizeDamageDotState = damageState( p)%sizeDotState
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
mySizeThermalDotState = thermalState(p)%sizeDotState
plasticState(p)%state(1:mySizePlasticDotState,cc) = plasticState(p)%subState0(1:mySizePlasticDotState,cc)&
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
+ plasticState(p)%dotState (1:mySizePlasticDotState,cc)&
* crystallite_subdt(g,i,e)
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
damageState(p)%state (1:mySizeDamageDotState,cc) = damageState(p)%subState0(1:mySizeDamageDotState,cc)&
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
+ damageState(p)%dotState (1:mySizeDamageDotState,cc)&
* crystallite_subdt(g,i,e)
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
thermalState(p)%state(1:mySizeThermalDotState,cc) = thermalState(p)%subState0(1:mySizeThermalDotState,cc)&
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
+ thermalState(p)%dotState (1:mySizeThermalDotState,cc)&
* crystallite_subdt(g,i,e)
doxygen comments
2013-02-22 04:38:36 +05:30
endif
enddo; enddo; enddo
!$OMP ENDDO
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
! --- relative residui and state convergence ---
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,p,cc,s)
doxygen comments
2013-02-22 04:38:36 +05:30
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
p = mappingConstitutive(2,g,i,e)
cc = mappingConstitutive(1,g,i,e)
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
mySizePlasticDotState = plasticState(p)%sizeDotState
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
mySizeDamageDotState = damageState( p)%sizeDotState
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
mySizeThermalDotState = thermalState(p)%sizeDotState
forall (s = 1_pInt:mySizePlasticDotState, abs(plasticState(p)%state(s,cc)) > 0.0_pReal) &
relStateResiduum(s,g,i,e) = stateResiduum(s,g,i,e) / plasticState(p)%state(s,cc)
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
forall (s = 1_pInt:mySizeDamageDotState, abs(damageState( p)%state(s,cc)) > 0.0_pReal) &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
relDamageStateResiduum(s,g,i,e) = damageStateResiduum(s,g,i,e) / damageState(p)%state(s,cc)
forall (s = 1_pInt:mySizeThermalDotState, abs(thermalState(p)%state(s,cc)) > 0.0_pReal) &
relThermalStateResiduum(s,g,i,e) = thermalStateResiduum(s,g,i,e) / thermalState(p)%state(s,cc)
more work on the new state
2014-05-27 20:16:03 +05:30
!$OMP FLUSH(relStateResiduum)
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
!$OMP FLUSH(relDamageStateResiduum)
!$OMP FLUSH(relThermalStateResiduum)
! @Martin: do we need flushing? why..?
more work on the new state
2014-05-27 20:16:03 +05:30
crystallite_todo(g,i,e) = &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
( all(abs(relStateResiduum(1:mySizePlasticDotState,g,i,e)) < &
rTol_crystalliteState .or. &
abs(stateResiduum(1:mySizePlasticDotState,g,i,e)) < &
plasticState(p)%aTolState(1:mySizePlasticDotState)) &
.and. all(abs(relDamageStateResiduum(1:mySizeDamageDotState,g,i,e)) < &
rTol_crystalliteState .or. &
abs(damageStateResiduum(1:mySizeDamageDotState,g,i,e)) < &
damageState(p)%aTolState(1:mySizeDamageDotState)) &
.and. all(abs(relThermalStateResiduum(1:mySizeThermalDotState,g,i,e)) < &
rTol_crystalliteState .or. &
abs(thermalStateResiduum(1:mySizeThermalDotState,g,i,e)) < &
thermalState(p)%aTolState(1:mySizeThermalDotState)))
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
#ifndef _OPENMP
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,'(a,/,(12x,12(f12.1,1x)),/)') '<< CRYST >> absolute residuum tolerance', &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
stateResiduum(1:mySizePlasticDotState,g,i,e) / plasticState(p)%aTolState(1:mySizePlasticDotState)
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
write(6,'(a,/,(12x,12(f12.1,1x)),/)') '<< CRYST >> relative residuum tolerance', &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
relStateResiduum(1:mySizePlasticDotState,g,i,e) / rTol_crystalliteState
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> dotState', &
plasticState(p)%dotState(1:mySizePlasticDotState,cc)
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> new state', &
plasticState(p)%state(1:mySizePlasticDotState,cc)
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
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
2013-02-22 04:38:36 +05:30
!$OMP ENDDO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --- STATE JUMP ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$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
!$OMP END CRITICAL (checkTodo)
endif
endif
Depending on which state integrator one uses for the stiffness calculation, the initial state has to be chosen accordingly: e.g. for FPI choose last converged state, but for explicit RK choose converged state from start of increment (in case of explicit euler no state integration at all, but only stress integration). For this purpose we also need to remember "Fe" which now follows the cutbacking procedure as it is used for "Fp".
2011-11-04 18:14:50 +05:30
enddo; enddo; enddo
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP ENDDO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
!--------------------------------------------------------------------------------------------------
! --- UPDATE DEPENDENT STATES IF RESIDUUM BELOW TOLERANCE ---
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
subsumed constitutive_damage/thermal into constitutive
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if (crystallite_todo(g,i,e)) &
call constitutive_microstructure(crystallite_temperature(i,e), &
crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Fe(1:3,1:3,g,i,e), &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp" * now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation * non-local stuff: * changed non-local kinetics (Gilman2002) * enforce zero shearrate for overall carrrier density below relevant density * enforce zero density for those states that become negative and were below relevant density before * dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 17:48:49 +05:30
enddo; enddo; enddo
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP ENDDO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
!--------------------------------------------------------------------------------------------------
! --- FINAL STRESS INTEGRATION STEP IF RESIDUUM BELOW TOLERANCE ---
doxygen comments
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!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
!--------------------------------------------------------------------------------------------------
! --- SET CONVERGENCE FLAG ---
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
changes to make newstate aware of damage variables
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crystallite_converged(g,i,e) = .true. ! if still "to do" then converged per definition
doxygen comments
2013-02-22 04:38:36 +05:30
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
!$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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP END PARALLEL
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --- nonlocal convergence check ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
more work on the new state
2014-05-27 20:16:03 +05:30
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
write(6,'(a,i8,a,i2,/)') '<< CRYST >> ', count(crystallite_converged(:,:,:)), ' grains converged' ! if not requesting Integration of just a single IP
more work on the new state
2014-05-27 20:16:03 +05:30
if ((.not. singleRun) .and. any(.not. crystallite_converged .and. .not. crystallite_localPlasticity)) & ! any non-local not yet converged (or broken)...
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
crystallite_converged = crystallite_converged .and. crystallite_localPlasticity ! ...restart all non-local as not converged
doxygen comments
2013-02-22 04:38:36 +05:30
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
2013-02-22 04:38:36 +05:30
!--------------------------------------------------------------------------------------------------
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
!> @brief integrate stress, state with 1st order Euler method with adaptive step size
doxygen comments
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!--------------------------------------------------------------------------------------------------
simplified logic for single run, now not checking for extra arguments but simply checking if start and end elem/IP are the same
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subroutine crystallite_integrateStateAdaptiveEuler()
more work on the new state
2014-05-27 20:16:03 +05:30
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +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, &
numerics_integrationMode
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
use FEsolving, only: &
FEsolving_execElem, &
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
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FEsolving_execIP
use mesh, only: &
mesh_element, &
mesh_NcpElems, &
mesh_maxNips
use material, only: &
homogenization_Ngrains, &
more work on the new state
2014-05-27 20:16:03 +05:30
plasticState, &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
damageState, &
thermalState, &
moved mappings for new state layout to material
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mappingConstitutive, &
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
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homogenization_maxNgrains
use constitutive, only: &
more work on the new state
2014-05-27 20:16:03 +05:30
constitutive_collectDotState, &
constitutive_microstructure, &
subsumed constitutive_damage/thermal into constitutive
2014-09-23 16:08:20 +05:30
constitutive_maxSizeDotState, &
constitutive_damage_maxSizeDotState, &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
constitutive_thermal_maxSizeDotState
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
implicit none
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
integer(pInt) :: &
e, & ! element index in element loop
i, & ! integration point index in ip loop
g, & ! grain index in grain loop
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
s, & ! state index
p, &
c, &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
mySizePlasticDotState, & ! size of dot states
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
mySizeDamageDotState, &
mySizeThermalDotState
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
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
doxygen comments
2013-02-22 04:38:36 +05:30
real(pReal), dimension(constitutive_maxSizeDotState,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
stateResiduum, & ! residuum from evolution in micrstructure
relStateResiduum ! relative residuum from evolution in microstructure
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
real(pReal), dimension(constitutive_damage_maxSizeDotState,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
damageStateResiduum, & ! residuum from evolution in micrstructure
relDamageStateResiduum ! relative residuum from evolution in microstructure
real(pReal), dimension(constitutive_thermal_maxSizeDotState,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
thermalStateResiduum, & ! residuum from evolution in micrstructure
relThermalStateResiduum ! relative residuum from evolution in microstructure
more work on the new state
2014-05-27 20:16:03 +05:30
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
logical :: &
singleRun ! flag indicating computation for single (g,i,e) triple
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --- LOOP ITERATOR FOR ELEMENT, GRAIN, IP ---
simplified logic for single run, now not checking for extra arguments but simply checking if start and end elem/IP are the same
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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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
fixed out of range bug introduced with singleRun changes in rev. 2356
2013-04-30 17:44:07 +05:30
singleRun = (eIter(1) == eIter(2) .and. iIter(1,eIter(1)) == iIter(2,eIter(2)))
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
more work on the new state
2014-05-27 20:16:03 +05:30
stateResiduum = 0.0_pReal
relStateResiduum = 0.0_pReal
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
damageStateResiduum = 0.0_pReal
relDamageStateResiduum = 0.0_pReal
thermalStateResiduum = 0.0_pReal
relThermalStateResiduum = 0.0_pReal
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
more work on the new state
2014-05-27 20:16:03 +05:30
integrationMode: if (numerics_integrationMode == 1_pInt) then
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
!$OMP PARALLEL
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
! --- DOT STATE (EULER INTEGRATION) ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
subsumed constitutive_damage/thermal into constitutive
2014-09-23 16:08:20 +05:30
if (crystallite_todo(g,i,e)) &
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, &
crystallite_Fp, crystallite_temperature(i,e), &
crystallite_subdt(g,i,e), crystallite_subFrac, g,i,e)
instantaneous jumps in the state by constitutive_deltaState are now incorporated for all state integrators. still they (should) not influence the result, since all constitutive laws simply return zero for the deltaState
2012-05-17 20:55:21 +05:30
enddo; enddo; enddo
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP ENDDO
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
!$OMP DO PRIVATE(p,c)
doxygen comments
2013-02-22 04:38:36 +05:30
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
more work on the new state
2014-05-27 20:16:03 +05:30
if (crystallite_todo(g,i,e)) then
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
p = mappingConstitutive(2,g,i,e)
c = mappingConstitutive(1,g,i,e)
if ( any(plasticState(p)%dotState(:,c) /= plasticState(p)%dotState(:,c)) .or. &
any(damageState( p)%dotState(:,c) /= damageState( p)%dotState(:,c)) .or. &
any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c))) then ! NaN occured in dotState
more work on the new state
2014-05-27 20:16:03 +05:30
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
doxygen comments
2013-02-22 04:38:36 +05:30
endif
more work on the new state
2014-05-27 20:16:03 +05:30
enddo; enddo; enddo
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP ENDDO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --- STATE UPDATE (EULER INTEGRATION) ---
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,p,c)
doxygen comments
2013-02-22 04:38:36 +05:30
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
p = mappingConstitutive(2,g,i,e)
c = mappingConstitutive(1,g,i,e)
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
mySizePlasticDotState = plasticState(p)%sizeDotState
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
mySizeDamageDotState = damageState( p)%sizeDotState
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
mySizeThermalDotState = thermalState(p)%sizeDotState
stateResiduum(1:mySizePlasticDotState,g,i,e) = - 0.5_pReal &
* plasticState(p)%dotstate(1:mySizePlasticDotState,c) &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
* crystallite_subdt(g,i,e) ! contribution to absolute residuum in state
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
damageStateResiduum(1:mySizeDamageDotState,g,i,e) = - 0.5_pReal &
* damageState(p)%dotstate(1:mySizeDamageDotState,c) &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
* crystallite_subdt(g,i,e) ! contribution to absolute residuum in state
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
thermalStateResiduum(1:mySizeThermalDotState,g,i,e) = - 0.5_pReal &
* thermalState(p)%dotstate(1:mySizeThermalDotState,c) &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
* crystallite_subdt(g,i,e) ! contribution to absolute residuum in state
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
plasticState(p)%state(1:mySizePlasticDotState,c) = plasticState(p)%state(1:mySizePlasticDotState,c) &
+ plasticState(p)%dotstate(1:mySizePlasticDotState,c) &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
* crystallite_subdt(g,i,e)
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
damageState(p)%state(1:mySizeDamageDotState,c) = damageState(p)%state(1:mySizeDamageDotState,c) &
+ damageState(p)%dotstate(1:mySizeDamageDotState,c) &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
* crystallite_subdt(g,i,e)
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
thermalState(p)%state(1:mySizeThermalDotState,c) = thermalState(p)%state(1:mySizeThermalDotState,c) &
+ thermalState(p)%dotstate(1:mySizeThermalDotState,c) &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
* crystallite_subdt(g,i,e)
doxygen comments
2013-02-22 04:38:36 +05:30
endif
enddo; enddo; enddo
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
!$OMP ENDDO
doxygen comments
2013-02-22 04:38:36 +05:30
! --- STATE JUMP ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$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
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
crystallite_todo(g,i,e) = crystallite_stateJump(g,i,e)
!$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
!$OMP ENDDO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --- UPDATE DEPENDENT STATES (EULER INTEGRATION) ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP DO
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
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
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
if (crystallite_todo(g,i,e)) &
subsumed constitutive_damage/thermal into constitutive
2014-09-23 16:08:20 +05:30
call constitutive_microstructure(crystallite_temperature(i,e), &
crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Fe(1:3,1:3,g,i,e), &
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
doxygen comments
2013-02-22 04:38:36 +05:30
enddo; enddo; enddo
!$OMP ENDDO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
!$OMP END PARALLEL
more work on the new state
2014-05-27 20:16:03 +05:30
endif integrationMode
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --- STRESS INTEGRATION (EULER INTEGRATION) ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
more work on the new state
2014-05-27 20:16:03 +05:30
!$OMP PARALLEL DO
doxygen comments
2013-02-22 04:38:36 +05:30
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$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
!$OMP END CRITICAL (checkTodo)
endif
endif
enddo; enddo; enddo
more work on the new state
2014-05-27 20:16:03 +05:30
!$OMP END PARALLEL DO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
if (numerics_integrationMode == 1_pInt) then
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
!$OMP PARALLEL
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
! --- DOT STATE (HEUN METHOD) ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$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
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
if (crystallite_todo(g,i,e)) &
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, &
crystallite_Fp, crystallite_temperature(i,e), &
crystallite_subdt(g,i,e), crystallite_subFrac, g,i,e)
doxygen comments
2013-02-22 04:38:36 +05:30
enddo; enddo; enddo
!$OMP ENDDO
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
!$OMP DO PRIVATE(p,c)
doxygen comments
2013-02-22 04:38:36 +05:30
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
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
p = mappingConstitutive(2,g,i,e)
c = mappingConstitutive(1,g,i,e)
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
if ( any(plasticState(p)%dotState(:,c) /= plasticState(p)%dotState(:,c)) .or.&
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
any(damageState( p)%dotState(:,c) /= damageState( p)%dotState(:,c)) .or.&
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c))) then ! NaN occured in dotState
more work on the new state
2014-05-27 20:16:03 +05:30
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
else ! if broken local...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
doxygen comments
2013-02-22 04:38:36 +05:30
endif
enddo; enddo; enddo
!$OMP ENDDO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
! --- ERROR ESTIMATE FOR STATE (HEUN METHOD) ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP SINGLE
relStateResiduum = 0.0_pReal
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
relDamageStateResiduum = 0.0_pReal
relThermalStateResiduum = 0.0_pReal
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP END SINGLE
more work on the new state
2014-05-27 20:16:03 +05:30
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,p,c,s)
more work on the new state
2014-05-27 20:16:03 +05:30
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
doxygen comments
2013-02-22 04:38:36 +05:30
if (crystallite_todo(g,i,e)) then
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
p = mappingConstitutive(2,g,i,e)
c = mappingConstitutive(1,g,i,e)
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
mySizePlasticDotState = plasticState(p)%sizeDotState
mySizeDamageDotState = damageState(p)%sizeDotState
mySizeThermalDotState = thermalState(p)%sizeDotState
more work on the new state
2014-05-27 20:16:03 +05:30
! --- contribution of heun step to absolute residui ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
stateResiduum(1:mySizePlasticDotState,g,i,e) = stateResiduum(1:mySizePlasticDotState,g,i,e) &
+ 0.5_pReal * plasticState(p)%dotState(:,c) &
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
* crystallite_subdt(g,i,e) ! contribution to absolute residuum in state
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
damageStateResiduum(1:mySizeDamageDotState,g,i,e) = damageStateResiduum(1:mySizeDamageDotState,g,i,e) &
+ 0.5_pReal * damageState(p)%dotState(:,c) &
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
* crystallite_subdt(g,i,e) ! contribution to absolute residuum in state
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
thermalStateResiduum(1:mySizeThermalDotState,g,i,e) = thermalStateResiduum(1:mySizeThermalDotState,g,i,e) &
+ 0.5_pReal * thermalState(p)%dotState(:,c) &
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
* crystallite_subdt(g,i,e) ! contribution to absolute residuum in state
more work on the new state
2014-05-27 20:16:03 +05:30
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
!$OMP FLUSH(stateResiduum)
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
!$OMP FLUSH(damageStateResiduum)
!$OMP FLUSH(thermalStateResiduum)
! --- relative residui ---
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
forall (s = 1_pInt:mySizePlasticDotState, abs(plasticState(p)%dotState(s,c)) > 0.0_pReal) &
relStateResiduum(s,g,i,e) = stateResiduum(s,g,i,e) / plasticState(p)%dotState(s,c)
forall (s = 1_pInt:mySizeDamageDotState, abs(damageState(p)%dotState(s,c)) > 0.0_pReal) &
relDamageStateResiduum(s,g,i,e) = damageStateResiduum(s,g,i,e) / damageState(p)%dotState(s,c)
forall (s = 1_pInt:mySizeThermalDotState, abs(thermalState(p)%dotState(s,c)) > 0.0_pReal) &
relThermalStateResiduum(s,g,i,e) = thermalStateResiduum(s,g,i,e) / thermalState(p)%dotState(s,c)
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
!$OMP FLUSH(relStateResiduum)
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
!$OMP FLUSH(relDamageStateResiduum)
!$OMP FLUSH(relthermalStateResiduum)
#ifndef _OPENMP
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
more work on the new state
2014-05-27 20:16:03 +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,i2,1x,i3,/)') '<< CRYST >> updateState at el ip g ',e,i,g
write(6,'(a,/,(12x,12(f12.1,1x)),/)') '<< CRYST >> absolute residuum tolerance', &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
stateResiduum(1:mySizePlasticDotState,g,i,e) / plasticState(p)%aTolState(1:mySizePlasticDotState)
more work on the new state
2014-05-27 20:16:03 +05:30
write(6,'(a,/,(12x,12(f12.1,1x)),/)') '<< CRYST >> relative residuum tolerance', &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
relStateResiduum(1:mySizePlasticDotState,g,i,e) / rTol_crystalliteState
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> dotState', plasticState(p)%dotState(1:mySizePlasticDotState,c) &
- 2.0_pReal * stateResiduum(1:mySizePlasticDotState,g,i,e) / crystallite_subdt(g,i,e) ! calculate former dotstate from higher order solution and state residuum
general polishing; simplification of RKCK45 dotstate assembly for different stages.
2014-09-03 01:41:57 +05:30
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> new state', plasticState(p)%state(1:mySizePlasticDotState,c)
more work on the new state
2014-05-27 20:16:03 +05:30
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --- converged ? ---
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
if ( all(abs(relStateResiduum(1:mySizePlasticDotState,g,i,e)) < &
rTol_crystalliteState .or. &
abs(stateResiduum(1:mySizePlasticDotState,g,i,e)) < &
plasticState(p)%aTolState(1:mySizePlasticDotState)) &
.and. all(abs(relDamageStateResiduum(1:mySizeDamageDotState,g,i,e)) < &
rTol_crystalliteState .or. &
abs(damageStateResiduum(1:mySizeDamageDotState,g,i,e)) < &
damageState(p)%aTolState(1:mySizeDamageDotState)) &
.and. all(abs(relThermalStateResiduum(1:mySizeThermalDotState,g,i,e)) < &
rTol_crystalliteState .or. &
abs(thermalStateResiduum(1:mySizeThermalDotState,g,i,e)) < &
thermalState(p)%aTolState(1:mySizeThermalDotState))) then
more work on the new state
2014-05-27 20:16:03 +05:30
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
!$OMP END CRITICAL (distributionState)
endif
endif
doxygen comments
2013-02-22 04:38:36 +05:30
endif
enddo; enddo; enddo
!$OMP ENDDO
more work on the new state
2014-05-27 20:16:03 +05:30
!$OMP END PARALLEL
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
elseif (numerics_integrationMode > 1) then ! stiffness calculation
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
more work on the new state
2014-05-27 20:16:03 +05:30
!$OMP PARALLEL DO
doxygen comments
2013-02-22 04:38:36 +05:30
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
more work on the new state
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!$OMP END PARALLEL DO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
endif
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --- NONLOCAL CONVERGENCE CHECK ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
more work on the new state
2014-05-27 20:16:03 +05:30
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) &
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
write(6,'(a,i8,a,i2,/)') '<< CRYST >> ', count(crystallite_converged(:,:,:)), ' grains converged'
more work on the new state
2014-05-27 20:16:03 +05:30
if ((.not. singleRun) .and. any(.not. crystallite_converged .and. .not. crystallite_localPlasticity)) & ! any non-local not yet converged (or broken)...
debug now reporting elFE in addition to elCP
2014-08-27 21:24:11 +05:30
crystallite_converged = crystallite_converged .and. crystallite_localPlasticity ! ...restart all non-local as not converged
more work on the new state
2014-05-27 20:16:03 +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_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
!--------------------------------------------------------------------------------------------------
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
!> @brief integrate stress, and state with 1st order explicit Euler method
doxygen comments
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!--------------------------------------------------------------------------------------------------
simplified logic for single run, now not checking for extra arguments but simply checking if start and end elem/IP are the same
2013-04-26 18:53:36 +05:30
subroutine crystallite_integrateStateEuler()
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
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use debug, only: &
debug_level, &
debug_crystallite, &
debug_levelBasic, &
debug_levelExtensive, &
debug_levelSelective, &
debug_e, &
debug_i, &
debug_g, &
debug_StateLoopDistribution
use numerics, only: &
numerics_integrationMode, &
numerics_timeSyncing
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2014-08-26 20:14:32 +05:30
use FEsolving, only: &
FEsolving_execElem, &
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FEsolving_execIP
use mesh, only: &
mesh_element, &
mesh_NcpElems
use material, only: &
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plasticState, &
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damageState, &
thermalState, &
moved mappings for new state layout to material
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mappingConstitutive, &
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
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homogenization_Ngrains
use constitutive, only: &
more work on the new state
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constitutive_collectDotState, &
moved mappings for new state layout to material
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constitutive_microstructure
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2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
implicit none
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
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integer(pInt) :: &
e, & ! element index in element loop
i, & ! integration point index in ip loop
g, & ! grain index in grain loop
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p, & ! phase loop
c, &
mySizePlasticDotState, &
mySizeDamageDotState, &
mySizeThermalDotState
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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
simplified logic for single run, now not checking for extra arguments but simply checking if start and end elem/IP are the same
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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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
fixed out of range bug introduced with singleRun changes in rev. 2356
2013-04-30 17:44:07 +05:30
singleRun = (eIter(1) == eIter(2) .and. iIter(1,eIter(1)) == iIter(2,eIter(2)))
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
if (numerics_integrationMode == 1_pInt) then
more work on the new state
2014-05-27 20:16:03 +05:30
!$OMP PARALLEL
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
! --- DOT STATE ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) &
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
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call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, &
crystallite_Fp, crystallite_temperature(i,e), &
crystallite_subdt(g,i,e), crystallite_subFrac, g,i,e)
doxygen comments
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enddo; enddo; enddo
!$OMP ENDDO
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!$OMP DO PRIVATE(p,c)
doxygen comments
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do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
c = mappingConstitutive(1,g,i,e)
p = mappingConstitutive(2,g,i,e)
if ( any(plasticState(p)%dotState(:,c) /= plasticState(p)%dotState(:,c)) .or. &
any(damageState( p)%dotState(:,c) /= damageState( p)%dotState(:,c)) .or. &
any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c))) then ! NaN occured in dotState
more work on the new state
2014-05-27 20:16:03 +05:30
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
doxygen comments
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endif
enddo; enddo; enddo
!$OMP ENDDO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
! --- UPDATE STATE ---
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,p,c)
doxygen comments
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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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
p = mappingConstitutive(2,g,i,e)
c = mappingConstitutive(1,g,i,e)
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
mySizePlasticDotState = plasticState(p)%sizeDotState
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
mySizeDamageDotState = damageState( p)%sizeDotState
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
mySizeThermalDotState = thermalState(p)%sizeDotState
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
plasticState(p)%state(1:mySizePlasticDotState,c) = plasticState(p)%state( 1:mySizePlasticDotState,c) &
+ plasticState(p)%dotState(1:mySizePlasticDotState,c) &
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2014-06-25 04:51:25 +05:30
* crystallite_subdt(g,i,e)
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
damageState( p)%state(1:mySizeDamageDotState,c) = damageState( p)%state( 1:mySizeDamageDotState,c) &
+ damageState( p)%dotState(1:mySizeDamageDotState,c) &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
* crystallite_subdt(g,i,e)
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
thermalState(p)%state(1:mySizeThermalDotState,c) = thermalState(p)%state( 1:mySizeThermalDotState,c) &
+ thermalState(p)%dotState(1:mySizeThermalDotState,c) &
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2014-06-25 04:51:25 +05:30
* crystallite_subdt(g,i,e)
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
#ifndef _OPENMP
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
p = mappingConstitutive(2,g,i,e)
c = mappingConstitutive(1,g,i,e)
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
write(6,'(a,i8,1x,i2,1x,i3,/)') '<< CRYST >> update state at el ip g ',e,i,g
corrected linking: use PETSC MPI (when available) rather then system wide version. little polishing (e.g. debug output for new state)
2014-07-23 18:56:05 +05:30
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> dotState', plasticState(p)%dotState (1:mySizePlasticDotState,c)
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> new state', plasticState(p)%state (1:mySizePlasticDotState,c)
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
endif
#endif
doxygen comments
2013-02-22 04:38:36 +05:30
endif
enddo; enddo; enddo
!$OMP ENDDO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --- STATE JUMP ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$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
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
crystallite_todo(g,i,e) = crystallite_stateJump(g,i,e)
!$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
!$OMP ENDDO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --- UPDATE DEPENDENT STATES ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$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
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) &
subsumed constitutive_damage/thermal into constitutive
2014-09-23 16:08:20 +05:30
call constitutive_microstructure(crystallite_temperature(i,e), &
crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Fe(1:3,1:3,g,i,e), &
doxygen comments
2013-02-22 04:38:36 +05:30
crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
enddo; enddo; enddo
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP ENDDO
more work on the new state
2014-05-27 20:16:03 +05:30
!$OMP END PARALLEL
doxygen comments
2013-02-22 04:38:36 +05:30
endif
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
more work on the new state
2014-05-27 20:16:03 +05:30
!$OMP PARALLEL
doxygen comments
2013-02-22 04:38:36 +05:30
! --- STRESS INTEGRATION ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$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
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
crystallite_todo(g,i,e) = crystallite_integrateStress(g,i,e)
!$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".
2011-11-04 18:14:50 +05:30
enddo; enddo; enddo
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP ENDDO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --- SET CONVERGENCE FLAG ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$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) .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
!$OMP ENDDO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP END PARALLEL
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --- CHECK NON-LOCAL CONVERGENCE ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
if (.not. singleRun) then ! if not requesting Integration of just a single IP
doxygen comments
2013-02-22 04:38:36 +05:30
if (any(.not. crystallite_converged .and. .not. crystallite_localPlasticity) & ! any non-local not yet converged (or broken)...
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
.and. .not. numerics_timeSyncing) &
doxygen comments
2013-02-22 04:38:36 +05:30
crystallite_converged = crystallite_converged .and. crystallite_localPlasticity ! ...restart all non-local as not converged
endif
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +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_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
doxygen comments
2013-02-22 04:38:36 +05:30
!--------------------------------------------------------------------------------------------------
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
!> @brief integrate stress, state with adaptive 1st order explicit Euler method
!> using Fixed Point Iteration to adapt the stepsize
doxygen comments
2013-02-22 04:38:36 +05:30
!--------------------------------------------------------------------------------------------------
simplified logic for single run, now not checking for extra arguments but simply checking if start and end elem/IP are the same
2013-04-26 18:53:36 +05:30
subroutine crystallite_integrateStateFPI()
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
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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
use FEsolving, only: &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
FEsolving_execElem, &
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
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FEsolving_execIP
use mesh, only: &
mesh_element, &
mesh_NcpElems
use material, only: &
more work on the new state
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plasticState, &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
damageState, &
thermalState, &
moved mappings for new state layout to material
2014-06-23 00:28:29 +05:30
mappingConstitutive, &
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
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homogenization_Ngrains
use constitutive, only: &
more work on the new state
2014-05-27 20:16:03 +05:30
constitutive_collectDotState, &
constitutive_microstructure, &
subsumed constitutive_damage/thermal into constitutive
2014-09-23 16:08:20 +05:30
constitutive_maxSizeDotState, &
constitutive_damage_maxSizeDotState, &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
constitutive_thermal_maxSizeDotState
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
implicit none
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
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
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
p, &
c, &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
mySizePlasticDotState, & ! size of dot states
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
mySizeDamageDotState, &
removed unused variables
2014-09-23 02:04:42 +05:30
mySizeThermalDotState
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
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, &
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stateDamper, & ! damper for integration of state
damageStateDamper, &
thermalStateDamper
real(pReal), dimension(constitutive_maxSizeDotState) :: &
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
stateResiduum, &
tempState
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
real(pReal), dimension(constitutive_damage_maxSizeDotState) :: &
damageStateResiduum, & ! residuum from evolution in micrstructure
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
tempDamageState
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
real(pReal), dimension(constitutive_thermal_maxSizeDotState) :: &
thermalStateResiduum, & ! residuum from evolution in micrstructure
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
tempThermalState
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
logical :: &
crystallite_integrateStateFPI: convergence check always ran about all e,i,g; now checking only those specified in FEsolving_execElem, FEsolving_execIP
2014-01-22 00:15:41 +05:30
singleRun, & ! flag indicating computation for single (g,i,e) triple
doneWithIntegration
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
simplified logic for single run, now not checking for extra arguments but simply checking if start and end elem/IP are the same
2013-04-26 18:53:36 +05:30
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
fixed out of range bug introduced with singleRun changes in rev. 2356
2013-04-30 17:44:07 +05:30
singleRun = (eIter(1) == eIter(2) .and. iIter(1,eIter(1)) == iIter(2,eIter(2)))
more work on the new state
2014-05-27 20:16:03 +05:30
!--------------------------------------------------------------------------------------------------
! initialize dotState
if (.not. singleRun) then
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
forall(p = 1_pInt:size(plasticState))
plasticState(p)%previousDotState = 0.0_pReal
more work on the new state
2014-05-27 20:16:03 +05:30
plasticState(p)%previousDotState2 = 0.0_pReal
end forall
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
forall(p = 1_pInt:size(damageState))
damageState(p)%previousDotState = 0.0_pReal
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
damageState(p)%previousDotState2 = 0.0_pReal
end forall
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
forall(p = 1_pInt:size(thermalState))
thermalState(p)%previousDotState = 0.0_pReal
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
thermalState(p)%previousDotState2 = 0.0_pReal
end forall
more work on the new state
2014-05-27 20:16:03 +05:30
else
e = eIter(1)
i = iIter(1,e)
fixed small bug in newstate
2014-07-10 14:17:00 +05:30
do g = gIter(1,e), gIter(2,e)
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
p = mappingConstitutive(2,g,i,e)
c = mappingConstitutive(1,g,i,e)
plasticState(p)%previousDotState (:,c) = 0.0_pReal
plasticState(p)%previousDotState2(:,c) = 0.0_pReal
damageState( p)%previousDotState (:,c) = 0.0_pReal
damageState( p)%previousDotState2(:,c) = 0.0_pReal
thermalState(p)%previousDotState (:,c) = 0.0_pReal
thermalState(p)%previousDotState2(:,c) = 0.0_pReal
more work on the new state
2014-05-27 20:16:03 +05:30
enddo
endif
doxygen comments
2013-02-22 04:38:36 +05:30
! --+>> PREGUESS FOR STATE <<+--
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
! --- DOT STATES ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
!$OMP PARALLEL
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP DO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
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
subsumed constitutive_damage/thermal into constitutive
2014-09-23 16:08:20 +05:30
if (crystallite_todo(g,i,e)) &
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, &
crystallite_Fp, crystallite_temperature(i,e), &
crystallite_subdt(g,i,e), crystallite_subFrac, g,i,e)
doxygen comments
2013-02-22 04:38:36 +05:30
enddo; enddo; enddo
remved bug in phenopower law state initialization and a minor change in Makefile
2014-07-07 19:51:58 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP ENDDO
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
!$OMP DO PRIVATE(p,c)
doxygen comments
2013-02-22 04:38:36 +05:30
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
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e)) then
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
p = mappingConstitutive(2,g,i,e)
c = mappingConstitutive(1,g,i,e)
if ( any(plasticState(p)%dotState(:,c) /= plasticState(p)%dotState(:,c)) .or. &
any(damageState( p)%dotState(:,c) /= damageState( p)%dotState(:,c)) .or. &
updated restart test, deviations seems to be related to tolerance in stress BC
2014-08-04 23:20:01 +05:30
any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c))) then !NaN occured in dotState
remved bug in phenopower law state initialization and a minor change in Makefile
2014-07-07 19:51:58 +05:30
more work on the new state
2014-05-27 20:16:03 +05:30
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken is a non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals done (and broken)
!$OMP END CRITICAL (checkTodo)
else ! broken one was local...
crystallite_todo(g,i,e) = .false. ! ... done (and broken)
endif
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
endif
doxygen comments
2013-02-22 04:38:36 +05:30
endif
enddo; enddo; enddo
!$OMP ENDDO
more work on the new state
2014-05-27 20:16:03 +05:30
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
! --- UPDATE STATE ---
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState,p,c)
doxygen comments
2013-02-22 04:38:36 +05:30
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
p = mappingConstitutive(2,g,i,e)
c = mappingConstitutive(1,g,i,e)
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
mySizePlasticDotState = plasticState(p)%sizeDotState
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
mySizeDamageDotState = damageState( p)%sizeDotState
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
mySizeThermalDotState = thermalState(p)%sizeDotState
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
plasticState(p)%state(1:mySizePlasticDotState,c) = plasticState(p)%subState0(1:mySizePlasticDotState,c) &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
+ plasticState(p)%dotState (1:mySizePlasticDotState,c) &
* crystallite_subdt(g,i,e)
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
damageState( p)%state(1:mySizeDamageDotState,c) = damageState( p)%subState0(1:mySizeDamageDotState,c) &
+ damageState( p)%dotState (1:mySizeDamageDotState,c) &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
* crystallite_subdt(g,i,e)
general polishing; simplification of RKCK45 dotstate assembly for different stages.
2014-09-03 01:41:57 +05:30
thermalState(p)%state(1:mySizeThermalDotState,c) = thermalState(p)%subState0(1:mySizeThermalDotState,c) &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
+ thermalState(p)%dotState (1:mySizeThermalDotState,c) &
* crystallite_subdt(g,i,e)
doxygen comments
2013-02-22 04:38:36 +05:30
endif
enddo; enddo; enddo
!$OMP ENDDO
more work on the new state
2014-05-27 20:16:03 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP END PARALLEL
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --+>> STATE LOOP <<+--
disabled multiphysics output because homogenization output was not accessible anymore
2014-07-09 19:04:33 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
NiterationState = 0_pInt
crystallite_integrateStateFPI: convergence check always ran about all e,i,g; now checking only those specified in FEsolving_execElem, FEsolving_execIP
2014-01-22 00:15:41 +05:30
doneWithIntegration = .false.
crystalliteLooping: do while (.not. doneWithIntegration .and. NiterationState < nState)
doxygen comments
2013-02-22 04:38:36 +05:30
NiterationState = NiterationState + 1_pInt
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP PARALLEL
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --- UPDATE DEPENDENT STATES ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
!$OMP DO PRIVATE(p,c)
doxygen comments
2013-02-22 04:38:36 +05:30
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
subsumed constitutive_damage/thermal into constitutive
2014-09-23 16:08:20 +05:30
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) &
call constitutive_microstructure(crystallite_temperature(i,e), &
crystallite_Tstar_v(1:6,g,i,e), &
crystallite_Fe(1:3,1:3,g,i,e), &
doxygen comments
2013-02-22 04:38:36 +05:30
crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
p = mappingConstitutive(2,g,i,e)
c = mappingConstitutive(1,g,i,e)
plasticState(p)%previousDotState2(:,c) = plasticState(p)%previousDotState(:,c)
damageState( p)%previousDotState2(:,c) = damageState( p)%previousDotState(:,c)
thermalState(p)%previousDotState2(:,c) = thermalState(p)%previousDotState(:,c)
plasticState(p)%previousDotState (:,c) = plasticState(p)%dotState(:,c)
damageState( p)%previousDotState (:,c) = damageState( p)%dotState(:,c)
thermalState(p)%previousDotState (:,c) = thermalState(p)%dotState(:,c)
doxygen comments
2013-02-22 04:38:36 +05:30
enddo; enddo; enddo
!$OMP ENDDO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --- STRESS INTEGRATION ---
disabled multiphysics output because homogenization output was not accessible anymore
2014-07-09 19:04:33 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$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)
!$OMP FLUSH(crystallite_todo)
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
if (.not. crystallite_todo(g,i,e) .and. .not. crystallite_localPlasticity(g,i,e)) then ! broken non-local...
!$OMP CRITICAL (checkTodo)
doxygen comments
2013-02-22 04:38:36 +05:30
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ... then all non-locals skipped
!$OMP END CRITICAL (checkTodo)
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
more work on the new state
2014-05-27 20:16:03 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP SINGLE
!$OMP CRITICAL (write2out)
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) &
doxygen comments
2013-02-22 04:38:36 +05:30
write(6,'(a,i8,a)') '<< CRYST >> ', count(crystallite_todo(:,:,:)),' grains todo after stress integration'
!$OMP END CRITICAL (write2out)
!$OMP END SINGLE
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
! --- DOT STATE ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
subsumed constitutive_damage/thermal into constitutive
2014-09-23 16:08:20 +05:30
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) &
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, &
crystallite_Fp, crystallite_temperature(i,e), &
crystallite_subdt(g,i,e), crystallite_subFrac, g,i,e)
doxygen comments
2013-02-22 04:38:36 +05:30
enddo; enddo; enddo
!$OMP ENDDO
disabled multiphysics output because homogenization output was not accessible anymore
2014-07-09 19:04:33 +05:30
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
!$OMP DO PRIVATE(p,c)
doxygen comments
2013-02-22 04:38:36 +05:30
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
p = mappingConstitutive(2,g,i,e)
c = mappingConstitutive(1,g,i,e)
if ( any(plasticState(p)%dotState(:,c) /= plasticState(p)%dotState(:,c)) .or. &
any(damageState( p)%dotState(:,c) /= damageState( p)%dotState(:,c)) .or. &
any(thermalState(p)%dotState(:,c) /= thermalState(p)%dotState(:,c))) then ! NaN occured in dotState
crystallite_todo(g,i,e) = .false. ! ... skip me next time
if (.not. crystallite_localPlasticity(g,i,e)) then ! if me is non-local...
more work on the new state
2014-05-27 20:16:03 +05:30
!$OMP CRITICAL (checkTodo)
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
more work on the new state
2014-05-27 20:16:03 +05:30
!$OMP END CRITICAL (checkTodo)
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
endif
endif
doxygen comments
2013-02-22 04:38:36 +05:30
endif
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
enddo; enddo; enddo
!$OMP ENDDO
more work on the new state
2014-05-27 20:16:03 +05:30
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
! --- UPDATE STATE ---
disabled multiphysics output because homogenization output was not accessible anymore
2014-07-09 19:04:33 +05:30
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
!$OMP DO PRIVATE(dot_prod12,dot_prod22, &
!$OMP& mySizePlasticDotState,mySizeDamageDotState,mySizeThermalDotState, &
!$OMP& damageStateResiduum,thermalStateResiduum,damageStateDamper,thermalStateDamper, &
!$OMP& tempDamageState,tempThermalState,p,c, &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
!$OMP& statedamper,stateResiduum,tempState)
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
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
doxygen comments
2013-02-22 04:38:36 +05:30
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
p = mappingConstitutive(2,g,i,e)
c = mappingConstitutive(1,g,i,e)
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
mySizePlasticDotState = plasticState(p)%sizeDotState
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
mySizeDamageDotState = damageState( p)%sizeDotState
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
mySizeThermalDotState = thermalState(p)%sizeDotState
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
dot_prod12 = dot_product(plasticState(p)%dotState(:,c) - plasticState(p)%previousDotState(:,c), &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
plasticState(p)%previousDotState(:,c) - plasticState(p)%previousDotState2(:,c))
dot_prod22 = dot_product(plasticState(p)%previousDotState(:,c) - plasticState(p)%previousDotState2(:,c), &
plasticState(p)%previousDotState(:,c) - plasticState(p)%previousDotState2(:,c))
more work on the new state
2014-05-27 20:16:03 +05:30
if ( dot_prod22 > 0.0_pReal &
.and. ( dot_prod12 < 0.0_pReal &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
.or. dot_product(plasticState(p)%dotState(:,c), &
plasticState(p)%previousDotState(:,c)) < 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
remved bug in phenopower law state initialization and a minor change in Makefile
2014-07-07 19:51:58 +05:30
endif
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
dot_prod12 = dot_product(damageState(p)%dotState(:,c) - damageState(p)%previousDotState(:,c), &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
damageState(p)%previousDotState(:,c) - damageState(p)%previousDotState2(:,c))
dot_prod22 = dot_product(damageState(p)%previousDotState(:,c) - damageState(p)%previousDotState2(:,c), &
damageState(p)%previousDotState(:,c) - damageState(p)%previousDotState2(:,c))
if ( dot_prod22 > 0.0_pReal &
.and. ( dot_prod12 < 0.0_pReal &
.or. dot_product(damageState(p)%dotState(:,c), &
damageState(p)%previousDotState(:,c)) < 0.0_pReal) ) then
damageStateDamper = 0.75_pReal + 0.25_pReal * tanh(2.0_pReal + 4.0_pReal * dot_prod12 / dot_prod22)
more work on the new state
2014-05-27 20:16:03 +05:30
else
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
damageStateDamper = 1.0_pReal
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
endif
dot_prod12 = dot_product(thermalState(p)%dotState(:,c) - thermalState(p)%previousDotState(:,c), &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
thermalState(p)%previousDotState(:,c) - thermalState(p)%previousDotState2(:,c))
dot_prod22 = dot_product(thermalState(p)%previousDotState(:,c) - thermalState(p)%previousDotState2(:,c), &
thermalState(p)%previousDotState(:,c) - thermalState(p)%previousDotState2(:,c))
if ( dot_prod22 > 0.0_pReal &
.and. ( dot_prod12 < 0.0_pReal &
.or. dot_product(thermalState(p)%dotState(:,c), &
thermalState(p)%previousDotState(:,c)) < 0.0_pReal) ) then
thermalStateDamper = 0.75_pReal + 0.25_pReal * tanh(2.0_pReal + 4.0_pReal * dot_prod12 / dot_prod22)
else
thermalStateDamper = 1.0_pReal
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
endif
more work on the new state
2014-05-27 20:16:03 +05:30
! --- get residui ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
stateResiduum(1:mySizePlasticDotState) = plasticState(p)%state(1:mySizePlasticDotState,c) &
- plasticState(p)%subState0(1:mySizePlasticDotState,c) &
- (plasticState(p)%dotState(1:mySizePlasticDotState,c) * stateDamper &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
+ plasticState(p)%previousDotState(1:mySizePlasticDotState,c) &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
* (1.0_pReal - stateDamper)) * crystallite_subdt(g,i,e)
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
damageStateResiduum(1:mySizeDamageDotState) = damageState(p)%state(1:mySizeDamageDotState,c) &
- damageState(p)%subState0(1:mySizeDamageDotState,c) &
- (damageState(p)%dotState(1:mySizeDamageDotState,c) * damageStateDamper &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
+ damageState(p)%previousDotState(1:mySizeDamageDotState,c) &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
* (1.0_pReal - damageStatedamper)) * crystallite_subdt(g,i,e)
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
thermalStateResiduum(1:mySizeThermalDotState) = thermalState(p)%state(1:mySizeThermalDotState,c) &
- thermalState(p)%subState0(1:mySizeThermalDotState,c) &
- (thermalState(p)%dotState(1:mySizeThermalDotState,c) * thermalStateDamper &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
+ thermalState(p)%previousDotState(1:mySizeThermalDotState,c) &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
* (1.0_pReal - thermalStateDamper)) * crystallite_subdt(g,i,e)
more work on the new state
2014-05-27 20:16:03 +05:30
! --- correct state with residuum ---
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
tempState(1:mySizePlasticDotState) = plasticState(p)%state(1:mySizePlasticDotState,c) &
- stateResiduum(1:mySizePlasticDotState) ! need to copy to local variable, since we cant flush a pointer in openmp
tempDamageState(1:mySizeDamageDotState) = damageState(p)%state(1:mySizeDamageDotState,c) &
- damageStateResiduum(1:mySizeDamageDotState) ! need to copy to local variable, since we cant flush a pointer in openmp
tempThermalState(1:mySizeThermalDotState) = thermalState(p)%state(1:mySizeThermalDotState,c) &
- thermalStateResiduum(1:mySizeThermalDotState) ! need to copy to local variable, since we cant flush a pointer in openmp
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
increased debug threshold for some outputs (decreased verbosity level at "basic")
2014-05-15 18:31:54 +05:30
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
doxygen comments
2013-02-22 04:38:36 +05:30
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
write(6,'(a,i8,1x,i2,1x,i3,/)') '<< CRYST >> update state at el ip g ',e,i,g
write(6,'(a,f6.1,/)') '<< CRYST >> statedamper ',statedamper
remved bug in phenopower law state initialization and a minor change in Makefile
2014-07-07 19:51:58 +05:30
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> state residuum',stateResiduum(1:mySizePlasticDotState)
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> new state',tempState(1:mySizePlasticDotState)
doxygen comments
2013-02-22 04:38:36 +05:30
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)
more work on the new state
2014-05-27 20:16:03 +05:30
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
plasticState(p)%dotState(:,c) = plasticState(p)%dotState(:,c) * stateDamper &
+ plasticState(p)%previousDotState(:,c) &
remved bug in phenopower law state initialization and a minor change in Makefile
2014-07-07 19:51:58 +05:30
* (1.0_pReal - stateDamper)
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
damageState( p)%dotState(:,c) = damageState(p)%dotState(:,c) * damageStateDamper &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
+ damageState(p)%previousDotState(:,c) &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
* (1.0_pReal - damageStateDamper)
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
thermalState(p)%dotState(:,c) = thermalState(p)%dotState(:,c) * thermalStateDamper &
+ thermalState(p)%previousDotState(:,c) &
remved bug in phenopower law state initialization and a minor change in Makefile
2014-07-07 19:51:58 +05:30
* (1.0_pReal - thermalStateDamper)
more work on the new state
2014-05-27 20:16:03 +05:30
! --- converged ? ---
remved bug in phenopower law state initialization and a minor change in Makefile
2014-07-07 19:51:58 +05:30
if ( all( abs(stateResiduum(1:mySizePlasticDotState)) < plasticState(p)%aTolState(1:mySizePlasticDotState) &
.or. abs(stateResiduum(1:mySizePlasticDotState)) < rTol_crystalliteState &
* abs(tempState(1:mySizePlasticDotState)) ) &
.and. all( abs(damageStateResiduum(1:mySizeDamageDotState)) < damageState(p)%aTolState(1:mySizeDamageDotState) &
.or. abs(damageStateResiduum(1:mySizeDamageDotState)) < rTol_crystalliteState &
* abs(tempDamageState(1:mySizeDamageDotState)) ) &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
.and. all( abs(thermalStateResiduum(1:mySizeThermalDotState)) < thermalState(p)%aTolState(1:mySizeThermalDotState) &
.or. abs(thermalStateResiduum(1:mySizeThermalDotState)) < rTol_crystalliteState &
remved bug in phenopower law state initialization and a minor change in Makefile
2014-07-07 19:51:58 +05:30
* abs(tempThermalState(1:mySizeThermalDotState)) )) then
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
crystallite_converged(g,i,e) = .true. ! ... converged per definition
more work on the new state
2014-05-27 20:16:03 +05:30
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
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
plasticState(p)%state(1:mySizePlasticDotState,c) = tempState(1:mySizePlasticDotState)
damageState( p)%state(1:mySizeDamageDotState, c) = tempDamageState(1:mySizeDamageDotState)
thermalState(p)%state(1:mySizeThermalDotState,c) = tempThermalState(1:mySizeThermalDotState)
more work on the new state
2014-05-27 20:16:03 +05:30
endif
doxygen comments
2013-02-22 04:38:36 +05:30
enddo; enddo; enddo
!$OMP ENDDO
! --- STATE JUMP ---
disabled multiphysics output because homogenization output was not accessible anymore
2014-07-09 19:04:33 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$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
!$OMP FLUSH(crystallite_todo)
if (crystallite_todo(g,i,e) .and. crystallite_converged(g,i,e)) then ! converged and still alive...
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
crystallite_todo(g,i,e) = crystallite_stateJump(g,i,e)
doxygen comments
2013-02-22 04:38:36 +05:30
!$OMP FLUSH(crystallite_todo)
if (.not. crystallite_todo(g,i,e)) then ! if state jump fails, then convergence is broken
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
crystallite_converged(g,i,e) = .false.
doxygen comments
2013-02-22 04:38:36 +05:30
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
more work on the new state
2014-05-27 20:16:03 +05:30
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) &
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
write(6,'(a,i8,a,i2,/)') '<< CRYST >> ', count(crystallite_converged(:,:,:)), &
debug now reporting elFE in addition to elCP
2014-08-27 21:24:11 +05:30
' grains converged after state integration #', NiterationState
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --- NON-LOCAL CONVERGENCE CHECK ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
if (.not. singleRun) then ! if not requesting Integration of just a single IP
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
if (any(.not. crystallite_converged .and. .not. crystallite_localPlasticity)) & ! any non-local not yet converged (or broken)...
doxygen comments
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crystallite_converged = crystallite_converged .and. crystallite_localPlasticity ! ...restart all non-local as not converged
endif
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) then
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
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(:,:,:)), &
debug now reporting elFE in addition to elCP
2014-08-27 21:24:11 +05:30
' grains todo after state integration #', NiterationState
doxygen comments
2013-02-22 04:38:36 +05:30
endif
crystallite_integrateStateFPI: convergence check always ran about all e,i,g; now checking only those specified in FEsolving_execElem, FEsolving_execIP
2014-01-22 00:15:41 +05:30
! --- CHECK IF DONE WITH INTEGRATION ---
doneWithIntegration = .true.
elemLoop: 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
doneWithIntegration = .false.
exit elemLoop
endif
enddo; enddo
enddo elemLoop
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
enddo crystalliteLooping
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
2013-02-22 04:38:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief calculates a jump in the state according to the current state and the current stress
removed delta state for J2 and phenopowerlaw when using new state
2014-06-17 12:24:49 +05:30
!> returns true, if state jump was successfull or not needed. false indicates NaN in delta state
doxygen comments
2013-02-22 04:38:36 +05:30
!--------------------------------------------------------------------------------------------------
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
logical function crystallite_stateJump(g,i,e)
use debug, only: &
debug_level, &
debug_crystallite, &
debug_levelExtensive, &
debug_levelSelective, &
debug_e, &
debug_i, &
debug_g
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
use FEsolving, only: &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
FEsolving_execElem, &
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
FEsolving_execIP
use mesh, only: &
mesh_element, &
mesh_NcpElems
use material, only: &
more work on the new state
2014-05-27 20:16:03 +05:30
plasticState, &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
damageState, &
thermalState, &
moved mappings for new state layout to material
2014-06-23 00:28:29 +05:30
mappingConstitutive, &
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
homogenization_Ngrains
use constitutive, only: &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
constitutive_collectDeltaState
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
implicit none
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
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integer(pInt), intent(in):: &
e, & ! element index
i, & ! integration point index
g ! grain index
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
integer(pInt) :: &
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
c, &
p, &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
mySizePlasticDotState
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
c = mappingConstitutive(1,g,i,e)
p = mappingConstitutive(2,g,i,e)
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
if (constitutive_collectDeltaState(crystallite_Tstar_v(1:6,g,i,e), g,i,e)) then
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
mySizePlasticDotState = plasticState(p)%sizeDotState
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
if( any(plasticState(p)%deltaState(:,c) /= plasticState(p)%deltaState(:,c))) then ! NaN occured in deltaState
removed delta state for J2 and phenopowerlaw when using new state
2014-06-17 12:24:49 +05:30
crystallite_stateJump = .false.
return
endif
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +05:30
plasticState(p)%state(1:mySizePlasticDotState,c) = plasticState(p)%state(1:mySizePlasticDotState,c) + &
plasticState(p)%deltaState(1:mySizePlasticDotState,c)
corrected linking: use PETSC MPI (when available) rather then system wide version. little polishing (e.g. debug output for new state)
2014-07-23 18:56:05 +05:30
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
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p = mappingConstitutive(2,g,i,e)
c = mappingConstitutive(1,g,i,e)
corrected linking: use PETSC MPI (when available) rather then system wide version. little polishing (e.g. debug output for new state)
2014-07-23 18:56:05 +05:30
if (any(plasticState(p)%deltaState(1:mySizePlasticDotState,c) /= 0.0_pReal) &
removed delta state for J2 and phenopowerlaw when using new state
2014-06-17 12:24:49 +05:30
.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
corrected linking: use PETSC MPI (when available) rather then system wide version. little polishing (e.g. debug output for new state)
2014-07-23 18:56:05 +05:30
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> deltaState', plasticState(p)%deltaState(1:mySizePlasticDotState,c)
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> new state', plasticState(p)%state (1:mySizePlasticDotState,c)
removed delta state for J2 and phenopowerlaw when using new state
2014-06-17 12:24:49 +05:30
endif
#endif
endif
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
crystallite_stateJump = .true.
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
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
added funtions to get averged properties at integration points.
2014-09-10 14:07:12 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief Map 2nd order tensor to reference config
!--------------------------------------------------------------------------------------------------
function crystallite_push33ToRef(g,i,e, tensor33)
use math, only: &
math_inv33
implicit none
real(pReal), dimension(3,3) :: crystallite_push33ToRef
real(pReal), dimension(3,3), intent(in) :: tensor33
real(pReal), dimension(3,3) :: invFp
integer(pInt), intent(in):: &
e, & ! element index
i, & ! integration point index
g ! grain index
invFp = math_inv33(crystallite_Fp(1:3,1:3,g,i,e))
crystallite_push33ToRef = matmul(invFp,matmul(tensor33,transpose(invFp)))
end function crystallite_push33ToRef
doxygen comments
2013-02-22 04:38:36 +05:30
!--------------------------------------------------------------------------------------------------
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
!> @brief calculation of stress (P) with time integration based on a residuum in Lp and
!> intermediate acceleration of the Newton-Raphson correction
doxygen comments
2013-02-22 04:38:36 +05:30
!--------------------------------------------------------------------------------------------------
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
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logical 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, &
remnoved some unused fuctions from use statements
2013-08-02 11:48:41 +05:30
constitutive_TandItsTangent
doxygen comments
2013-02-22 04:38:36 +05:30
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
added use mesh statement needed for output of mesh_element
2014-09-09 20:48:49 +05:30
use mesh, only: mesh_element
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
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
named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
2013-04-29 16:47:30 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!*** 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
setting todo and converged flag only for those e,i,g that are to be executed (FE_elemExec etc) used to spoil convergence checking in non ping pong mode and lead to slow performance
2014-01-21 21:39:00 +05:30
real(pReal) det, & ! determinant
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
steplength0, &
steplength, &
doxygen comments
2013-02-22 04:38:36 +05:30
dt, & ! time increment
aTol
logical error ! flag indicating an error
integer(pInt) NiterationStress, & ! number of stress integrations
ierr, & ! error indicator for LAPACK
o, &
p, &
jacoCounter ! counter to check for Jacobian update
integer(pLongInt) tick, &
tock, &
tickrate, &
maxticks
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
made doxygen working for MSC.Marc again, small changes on the todo-statements for doxygen, they don't work on single lines of codes but only on module/variables
2013-06-11 22:05:04 +05:30
external :: &
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
#if(FLOAT==8)
made doxygen working for MSC.Marc again, small changes on the todo-statements for doxygen, they don't work on single lines of codes but only on module/variables
2013-06-11 22:05:04 +05:30
dgesv
#elif(FLOAT==4)
sgesv
#endif
doxygen comments
2013-02-22 04:38:36 +05:30
!* 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
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,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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!* only integrate over fraction of timestep?
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
if (present(timeFraction)) then
dt = crystallite_subdt(g,i,e) * timeFraction
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
else
doxygen comments
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dt = crystallite_subdt(g,i,e)
Fg_new = crystallite_subF(1:3,1:3,g,i,e)
endif
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!* feed local variables
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!* inversion of Fp_current...
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
invFp_current = math_inv33(Fp_current)
doxygen comments
2013-02-22 04:38:36 +05:30
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
2013-02-22 04:38:36 +05:30
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
debug now reporting elFE in addition to elCP
2014-08-27 21:24:11 +05:30
write(6,'(a,i8,1x,a,i8,a,1x,i2,1x,i3)') '<< CRYST >> integrateStress failed on inversion of Fp_current at el (elFE) ip g ',&
e,'(',mesh_element(1,e),')',i,g
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
if (iand(debug_level(debug_crystallite), debug_levelExtensive) > 0_pInt) &
write(6,'(/,a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> Fp_current',math_transpose33(Fp_current(1:3,1:3))
doxygen comments
2013-02-22 04:38:36 +05:30
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
return
endif
A = math_mul33x33(Fg_new,invFp_current) ! intermediate tensor needed later to calculate dFe_dLp
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!* start LpLoop with normal step length
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
NiterationStress = 0_pInt
jacoCounter = 0_pInt
steplength0 = 1.0_pReal
steplength = steplength0
residuum_old = 0.0_pReal
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
LpLoop: do
NiterationStress = NiterationStress + 1_pInt
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
loopsExeced: 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
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) &
debug now reporting elFE in addition to elCP
2014-08-27 21:24:11 +05:30
write(6,'(a,i3,a,i8,1x,a,i8,a,1x,i2,1x,i3,/)') '<< CRYST >> integrateStress reached loop limit',nStress, &
' at el (elFE) ip g ', e,mesh_element(1,e),i,g
* 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
return
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
endif loopsExeced
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!* calculate (elastic) 2nd Piola--Kirchhoff stress tensor and its tangent from constitutive law
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
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)
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!* calculate plastic velocity gradient and its tangent from constitutive law
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
doxygen comments
2013-02-22 04:38:36 +05:30
call system_clock(count=tick,count_rate=tickrate,count_max=maxticks)
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
endif
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
call constitutive_LpAndItsTangent(Lp_constitutive, dLp_dT_constitutive, Tstar_v, &
crystallite_temperature(i,e), g, i, e)
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +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
#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
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
write(6,'(a,i3,/)') '<< CRYST >> iteration ', NiterationStress
doxygen comments
2013-02-22 04:38:36 +05:30
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!* update current residuum and check for convergence of loop
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
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
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) &
debug now reporting elFE in addition to elCP
2014-08-27 21:24:11 +05:30
write(6,'(a,i8,1x,a,i8,a,1x,i2,1x,i3,a,i3,a)') '<< CRYST >> integrateStress encountered NaN at el (elFE) ip g ', &
e,mesh_element(1,e),i,g, &
' ; iteration ', NiterationStress,&
' >> returning..!'
* 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
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...
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
Lpguess_old = Lpguess
doxygen comments
2013-02-22 04:38:36 +05:30
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
!* calculate Jacobian for correction term
doxygen comments
2013-02-22 04:38:36 +05:30
if (mod(jacoCounter, iJacoLpresiduum) == 0_pInt) then
dFe_dLp3333 = 0.0_pReal
do o=1_pInt,3_pInt; do p=1_pInt,3_pInt
Fixed wrong indices in tangents dT_dFe and dFe_dLp, which however luckily did not have any effect in the perturbed stiffness since they were transposed such that the double contraction of both remained unchanged. In contrast, the analytical jacobian will probably be affected by this change! @Pratheek: Can you check with me how this can be fixed?
2014-01-22 14:08:13 +05:30
dFe_dLp3333(o,p,1:3,p) = A(o,1:3) ! dFe_dLp(i,j,k,l) = -dt * A(i,k) delta(l,j)
doxygen comments
2013-02-22 04:38:36 +05:30
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) - &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
math_mul99x99(dLp_dT_constitutive, math_mul99x99(dT_dFe_constitutive , dFe_dLp))
doxygen comments
2013-02-22 04:38:36 +05:30
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
2013-02-22 04:38:36 +05:30
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
2013-02-22 04:38:36 +05:30
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
2013-02-22 04:38:36 +05:30
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
2013-02-22 04:38:36 +05:30
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
debug now reporting elFE in addition to elCP
2014-08-27 21:24:11 +05:30
write(6,'(a,i8,1x,a,i8,a,1x,i2,1x,i3,a,i3)') '<< CRYST >> integrateStress failed on dR/dLp inversion at el ip g ', &
e,mesh_element(1,e),i,g
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,*)
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
doxygen comments
2013-02-22 04:38:36 +05:30
return
endif
deltaLp = - math_plain9to33(work)
endif
jacoCounter = jacoCounter + 1_pInt ! increase counter for jaco update
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
Lpguess = Lpguess + steplength * deltaLp
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
enddo LpLoop
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!* calculate new plastic and elastic deformation gradient
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
invFp_new = math_mul33x33(invFp_current,B)
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
invFp_new = invFp_new / math_det33(invFp_new)**(1.0_pReal/3.0_pReal) ! regularize by det
doxygen comments
2013-02-22 04:38:36 +05:30
call math_invert33(invFp_new,Fp_new,det,error)
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
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
2013-02-22 04:38:36 +05:30
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
debug now reporting elFE in addition to elCP
2014-08-27 21:24:11 +05:30
write(6,'(a,i8,1x,a,i8,a,1x,i2,1x,i3,a,i3)') '<< CRYST >> integrateStress failed on invFp_new inversion at el ip g ',&
e,mesh_element(1,e),i,g, ' ; iteration ', NiterationStress
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) &
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) &
write(6,'(/,a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> invFp_new',math_transpose33(invFp_new)
doxygen comments
2013-02-22 04:38:36 +05:30
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
return
endif
Fe_new = math_mul33x33(Fg_new,invFp_new) ! calc resulting Fe
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
in crystallite_integrateStress: pass full 2nd PK stress to LpAndItsTangent instead of only the deviatoric part; otherwise constitutive laws that depend on the hydrostatic pressure do not work; constitutive laws that require a deviatoric stress need to calculate it internally (as is e.g. already done in the J2 model)
2014-01-16 16:06:40 +05:30
!* calculate 1st Piola-Kirchhoff stress
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
crystallite_P(1:3,1:3,g,i,e) = math_mul33x33(Fe_new, math_mul33x33(math_Mandel6to33(Tstar_v), &
math_transpose33(invFp_new)))
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!* store local values in global variables
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!* set return flag to true
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
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
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) &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
debug now reporting elFE in addition to elCP
2014-08-27 21:24:11 +05:30
write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> P / MPa',math_transpose33(crystallite_P(1:3,1:3,g,i,e))*1.0e-6_pReal
doxygen comments
2013-02-22 04:38:36 +05:30
write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> Cauchy / MPa', &
debug now reporting elFE in addition to elCP
2014-08-27 21:24:11 +05:30
math_mul33x33(crystallite_P(1:3,1:3,g,i,e), math_transpose33(Fg_new)) * 1.0e-6_pReal / math_det33(Fg_new)
doxygen comments
2013-02-22 04:38:36 +05:30
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
end function crystallite_integrateStress
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +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
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
use math, only: &
math_pDecomposition, &
math_RtoQ, &
math_qConj
use FEsolving, only: &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
FEsolving_execElem, &
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
FEsolving_execIP
use IO, only: &
IO_warning
use material, only: &
material_phase, &
homogenization_Ngrains, &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
plasticState
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
use mesh, only: &
mesh_element, &
mesh_ipNeighborhood, &
FE_NipNeighbors, &
FE_geomtype, &
FE_celltype
moved quaternion disorientation to lattice because it requires the knowledge of the lattice structure.
2014-02-28 18:58:27 +05:30
use lattice, only: &
moved reading in of lattice type and elastic constants to lattice module removed structure type for hex, fcc, bcc, now defining slip/twin systems for each phase found in material.config constitutive modules will only be initialized if needed homogenizedC function is only needed for models incorporating twinning in a physical way (titanmod and dislotwin)
2014-03-09 02:20:31 +05:30
lattice_qDisorientation, &
lattice_structure
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
use constitutive_nonlocal, only: &
constitutive_nonlocal_updateCompatibility
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
implicit none
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
integer(pInt) &
e, & ! element index
i, & ! integration point index
g, & ! grain index
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
n, & ! neighbor index
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
neighboring_e, & ! element index of my neighbor
neighboring_i, & ! integration point index of my neighbor
myPhase, & ! phase
fixed bug introduced with lattice_structure change nonlocal, but with DEBUG=ON OPTIMIZATION=OFF there is an FPE. Division by zero? Marked in the code forgot to commit dislotwin last time, now seems to work
2014-03-12 05:25:40 +05:30
neighboringPhase
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
real(pReal), dimension(3,3) :: &
U, &
R
real(pReal), dimension(4) :: &
orientation
logical &
error
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --- CALCULATE ORIENTATION AND LATTICE ROTATION ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
!$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))
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
! somehow this subroutine is not threadsafe, so need critical statement here; not clear, what exactly the problem is
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
!$OMP CRITICAL (polarDecomp)
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
call math_pDecomposition(crystallite_Fe(1:3,1:3,g,i,e), U, R, error) ! polar decomposition of Fe
added shortcuts for two do loops in the "timesyncing" procedure math_pDecomposition enclosed by omp critical statement; somehow, this subroutine is not thread safe, not clear what exactly the problem is
2013-02-27 16:02:37 +05:30
!$OMP END CRITICAL (polarDecomp)
doxygen comments
2013-02-22 04:38:36 +05:30
if (error) then
call IO_warning(650_pInt, e, i, g)
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
orientation = [1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal] ! fake orientation
doxygen comments
2013-02-22 04:38:36 +05:30
else
orientation = math_RtoQ(transpose(R))
endif
moved quaternion disorientation to lattice because it requires the knowledge of the lattice structure.
2014-02-28 18:58:27 +05:30
crystallite_rotation(1:4,g,i,e) = lattice_qDisorientation(crystallite_orientation0(1:4,g,i,e), & ! active rotation from ori0
moved reading in of lattice type and elastic constants to lattice module removed structure type for hex, fcc, bcc, now defining slip/twin systems for each phase found in material.config constitutive modules will only be initialized if needed homogenizedC function is only needed for models incorporating twinning in a physical way (titanmod and dislotwin)
2014-03-09 02:20:31 +05:30
orientation) ! to current orientation (with no symmetry)
doxygen comments
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crystallite_orientation(1:4,g,i,e) = orientation
enddo
enddo
enddo
!$OMP END PARALLEL DO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --- UPDATE SOME ADDITIONAL VARIABLES THAT ARE NEEDED FOR NONLOCAL MATERIAL ---
fixed bug introduced with lattice_structure change nonlocal, but with DEBUG=ON OPTIMIZATION=OFF there is an FPE. Division by zero? Marked in the code forgot to commit dislotwin last time, now seems to work
2014-03-12 05:25:40 +05:30
! --- we use crystallite_orientation from above, so need a separate loop
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
fixed wrong omp statement
2014-03-12 20:59:14 +05:30
!$OMP PARALLEL DO PRIVATE(myPhase,neighboring_e,neighboring_i,neighboringPhase)
doxygen comments
2013-02-22 04:38:36 +05:30
do e = FEsolving_execElem(1),FEsolving_execElem(2)
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
myPhase = material_phase(1,i,e) ! get my phase (non-local models make no sense with more than one grain per material point)
if (plasticState(myPhase)%nonLocal) then ! if nonlocal model
doxygen comments
2013-02-22 04:38:36 +05:30
! --- calculate disorientation between me and my neighbor ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
neighborhood relations were screwed up for some elementtypes as of version 2318, might have caused segmentation faults with nonlocal model, now fixed
2013-04-22 19:05:35 +05:30
do n = 1_pInt,FE_NipNeighbors(FE_celltype(FE_geomtype(mesh_element(2,e)))) ! loop through my neighbors
doxygen comments
2013-02-22 04:38:36 +05:30
neighboring_e = mesh_ipNeighborhood(1,n,i,e)
neighboring_i = mesh_ipNeighborhood(2,n,i,e)
fixed wrong omp statement
2014-03-12 20:59:14 +05:30
if (neighboring_e > 0 .and. neighboring_i > 0) then ! if neighbor exists
doxygen comments
2013-02-22 04:38:36 +05:30
neighboringPhase = material_phase(1,neighboring_i,neighboring_e) ! get my neighbor's phase
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
if (plasticState(neighboringPhase)%nonLocal) then ! neighbor got also nonlocal plasticity
fixed bug introduced with lattice_structure change nonlocal, but with DEBUG=ON OPTIMIZATION=OFF there is an FPE. Division by zero? Marked in the code forgot to commit dislotwin last time, now seems to work
2014-03-12 05:25:40 +05:30
if (lattice_structure(myPhase) == lattice_structure(neighboringPhase)) then ! if my neighbor has same crystal structure like me
doxygen comments
2013-02-22 04:38:36 +05:30
crystallite_disorientation(:,n,1,i,e) = &
moved quaternion disorientation to lattice because it requires the knowledge of the lattice structure.
2014-02-28 18:58:27 +05:30
lattice_qDisorientation( crystallite_orientation(1:4,1,i,e), &
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
crystallite_orientation(1:4,1,neighboring_i,neighboring_e), &
fixed bug introduced with lattice_structure change nonlocal, but with DEBUG=ON OPTIMIZATION=OFF there is an FPE. Division by zero? Marked in the code forgot to commit dislotwin last time, now seems to work
2014-03-12 05:25:40 +05:30
lattice_structure(myPhase)) ! calculate disorientation for given symmetry
doxygen comments
2013-02-22 04:38:36 +05:30
else ! for neighbor with different phase
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
crystallite_disorientation(:,n,1,i,e) = [0.0_pReal, 1.0_pReal, 0.0_pReal, 0.0_pReal] ! 180 degree rotation about 100 axis
doxygen comments
2013-02-22 04:38:36 +05:30
endif
else ! for neighbor with local plasticity
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
crystallite_disorientation(:,n,1,i,e) = [-1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal] ! homomorphic identity
doxygen comments
2013-02-22 04:38:36 +05:30
endif
else ! no existing neighbor
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
crystallite_disorientation(:,n,1,i,e) = [-1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal] ! homomorphic identity
doxygen comments
2013-02-22 04:38:36 +05:30
endif
enddo
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
! --- calculate compatibility and transmissivity between me and my neighbor ---
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
call constitutive_nonlocal_updateCompatibility(crystallite_orientation,i,e)
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
endif
enddo
enddo
!$OMP END PARALLEL DO
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +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_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
doxygen comments
2013-02-22 04:38:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief return results of particular grain
!--------------------------------------------------------------------------------------------------
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
function crystallite_postResults(ipc, ip, el)
added crystallite output "neighboringelement" and "neighboringip" some polishing in crystallite_postResults
2013-05-08 17:32:30 +05:30
use math, only: &
math_qToEuler, &
grainrotation output now uses corrected rotation math
2013-06-07 15:05:00 +05:30
math_qToEulerAxisAngle, &
added crystallite output "neighboringelement" and "neighboringip" some polishing in crystallite_postResults
2013-05-08 17:32:30 +05:30
math_mul33x33, &
math_transpose33, &
math_det33, &
math_I3, &
inDeg, &
math_Mandel6to33, &
math_qMul, &
math_qConj
use mesh, only: &
mesh_element, &
mesh_ipVolume, &
mesh_ipCoordinates, &
mesh_maxNipNeighbors, &
mesh_ipNeighborhood, &
FE_NipNeighbors, &
FE_geomtype, &
FE_celltype
use material, only: &
no need to allocate a large array for constitutive(thermal,damage)_sizePostResults (changes apply only to new state)
2014-06-30 20:17:30 +05:30
plasticState, &
damageState, &
thermalState, &
added crystallite output "neighboringelement" and "neighboringip" some polishing in crystallite_postResults
2013-05-08 17:32:30 +05:30
microstructure_crystallite, &
crystallite_Noutput, &
material_phase, &
material_texture, &
homogenization_Ngrains
use constitutive, only: &
Heavy bug fixing: Butcher tableau multiplication in RK45 integration scheme, state updating of adaptive Euler, wrong assignment to evolution rate instead of state in fixed-point iterator. Exchanged possibly non thread-safe matmul in RKCK45, simplified RK45 integration step 1--3 vs 4 handling. (Thanks to Pratheek, Luv, and Chen for their help!)
2014-09-03 01:16:52 +05:30
constitutive_homogenizedC, &
constitutive_postResults
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +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 preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
integer(pInt), intent(in):: &
el, & !< element index
ip, & !< integration point index
ipc !< grain index
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
minor changes to multiphysicsOut
2014-08-10 16:44:43 +05:30
#ifdef multiphysicsOut
real(pReal), dimension(1+crystallite_sizePostResults(microstructure_crystallite(mesh_element(4,el))) + &
1+plasticState(material_phase(ipc,ip,el))%sizePostResults + &
some fixes to get homogenisation none working with recent changes
2014-09-26 20:46:10 +05:30
damageState( material_phase(ipc,ip,el))%sizePostResults + &
thermalState(material_phase(ipc,ip,el))%sizePostResults) :: &
minor changes to multiphysicsOut
2014-08-10 16:44:43 +05:30
crystallite_postResults
#else
added crystallite output "neighboringelement" and "neighboringip" some polishing in crystallite_postResults
2013-05-08 17:32:30 +05:30
real(pReal), dimension(1+crystallite_sizePostResults(microstructure_crystallite(mesh_element(4,el)))+ &
minor typo
2014-08-11 19:03:17 +05:30
1+plasticState(material_phase(ipc,ip,el))%sizePostResults) :: &
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
crystallite_postResults
minor changes to multiphysicsOut
2014-08-10 16:44:43 +05:30
#endif
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
real(pReal), dimension(3,3) :: &
Ee
real(pReal), dimension(4) :: &
rotation
real(pReal) :: &
detF
integer(pInt) :: &
o, &
c, &
crystID, &
mySize, &
n
subsumed constitutive_damage/thermal into constitutive
2014-09-23 16:08:20 +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
added crystallite output "neighboringelement" and "neighboringip" some polishing in crystallite_postResults
2013-05-08 17:32:30 +05:30
crystID = microstructure_crystallite(mesh_element(4,el))
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
crystallite_postResults = 0.0_pReal
c = 0_pInt
some lines in crystallite.f90 exceeded limit of 132 characters fixed bug in Lib_VTK_IO.f90 (informed author as well) added zip file containing source of Lib_VTK_IO.f90
2013-05-08 23:18:00 +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
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +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
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
select case(crystallite_outputID(o,crystID))
case (phase_ID)
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
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
crystallite_postResults(c+1) = real(material_phase(ipc,ip,el),pReal) ! phaseID of grain
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case (texture_ID)
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
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
crystallite_postResults(c+1) = real(material_texture(ipc,ip,el),pReal) ! textureID of grain
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case (volume_ID)
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
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
detF = math_det33(crystallite_partionedF(1:3,1:3,ipc,ip,el)) ! V_current = det(F) * V_reference
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
crystallite_postResults(c+1) = detF * mesh_ipVolume(ip,el) &
/ homogenization_Ngrains(mesh_element(3,el)) ! grain volume (not fraction but absolute)
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case (heat_ID)
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
mySize = 1_pInt
crystallite_postResults(c+1) = crystallite_heat(ipc,ip,el) ! heat production
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case (orientation_ID)
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
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
crystallite_postResults(c+1:c+mySize) = crystallite_orientation(1:4,ipc,ip,el) ! grain orientation as quaternion
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case (eulerangles_ID)
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
in preguess of FPintegrator: resetting of previous dotstates can be done in same loop as collectdotstate polishing: indentation level and capitalization
2013-11-21 16:28:41 +05:30
crystallite_postResults(c+1:c+mySize) = inDeg &
* math_qToEuler(crystallite_orientation(1:4,ipc,ip,el)) ! grain orientation as Euler angles in degree
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case (grainrotation_ID)
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
grainrotation output now uses corrected rotation math
2013-06-07 15:05:00 +05:30
crystallite_postResults(c+1:c+mySize) = &
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
math_qToEulerAxisAngle(crystallite_rotation(1:4,ipc,ip,el)) ! grain rotation away from initial orientation as axis-angle in sample reference coordinates
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
crystallite_postResults(c+4) = inDeg * crystallite_postResults(c+4) ! angle in degree
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case (grainrotationx_ID)
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
mySize = 1_pInt
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
rotation = math_qToEulerAxisAngle(crystallite_rotation(1:4,ipc,ip,el)) ! grain rotation away from initial orientation as axis-angle in sample reference coordinates
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
crystallite_postResults(c+1) = inDeg * rotation(1) * rotation(4) ! angle in degree
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case (grainrotationy_ID)
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
mySize = 1_pInt
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
rotation = math_qToEulerAxisAngle(crystallite_rotation(1:4,ipc,ip,el)) ! grain rotation away from initial orientation as axis-angle in sample reference coordinates
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
crystallite_postResults(c+1) = inDeg * rotation(2) * rotation(4) ! angle in degree
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case (grainrotationz_ID)
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
mySize = 1_pInt
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
rotation = math_qToEulerAxisAngle(crystallite_rotation(1:4,ipc,ip,el)) ! grain rotation away from initial orientation as axis-angle in sample reference coordinates
introduced dummy heat calculation, available as an crystallite output temperature, avgP and avgF are available as homogenization output. move crystallite output of ipcoordinates to homogenization
2013-10-19 00:27:28 +05:30
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"
change the debug level of cutback reporting to non-selective, of central solution from basic to extensive, of stiffness perturbation to selective. fixed few typos and deleted excess whitespace.
2014-08-26 20:14:32 +05:30
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case (defgrad_ID)
added some output variables in crystallite: F, Fe, Fp, Ee, P, S
2010-05-18 13:27:13 +05:30
mySize = 9_pInt
some lines in crystallite.f90 exceeded limit of 132 characters fixed bug in Lib_VTK_IO.f90 (informed author as well) added zip file containing source of Lib_VTK_IO.f90
2013-05-08 23:18:00 +05:30
crystallite_postResults(c+1:c+mySize) = &
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
reshape(math_transpose33(crystallite_partionedF(1:3,1:3,ipc,ip,el)),[mySize])
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case (e_ID)
added total Green-Lagrange strain to crystallite outputs
2012-01-20 15:55:35 +05:30
mySize = 9_pInt
crystallite_postResults(c+1:c+mySize) = 0.5_pReal * reshape((math_mul33x33( &
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
math_transpose33(crystallite_partionedF(1:3,1:3,ipc,ip,el)), &
crystallite_partionedF(1:3,1:3,ipc,ip,el)) - math_I3),[mySize])
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case (fe_ID)
added some output variables in crystallite: F, Fe, Fp, Ee, P, S
2010-05-18 13:27:13 +05:30
mySize = 9_pInt
some lines in crystallite.f90 exceeded limit of 132 characters fixed bug in Lib_VTK_IO.f90 (informed author as well) added zip file containing source of Lib_VTK_IO.f90
2013-05-08 23:18:00 +05:30
crystallite_postResults(c+1:c+mySize) = &
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
reshape(math_transpose33(crystallite_Fe(1:3,1:3,ipc,ip,el)),[mySize])
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case (ee_ID)
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
Ee = 0.5_pReal *(math_mul33x33(math_transpose33(crystallite_Fe(1:3,1:3,ipc,ip,el)), &
crystallite_Fe(1:3,1:3,ipc,ip,el)) - 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])
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case (fp_ID)
added some output variables in crystallite: F, Fe, Fp, Ee, P, S
2010-05-18 13:27:13 +05:30
mySize = 9_pInt
some lines in crystallite.f90 exceeded limit of 132 characters fixed bug in Lib_VTK_IO.f90 (informed author as well) added zip file containing source of Lib_VTK_IO.f90
2013-05-08 23:18:00 +05:30
crystallite_postResults(c+1:c+mySize) = &
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
reshape(math_transpose33(crystallite_Fp(1:3,1:3,ipc,ip,el)),[mySize])
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case (lp_ID)
added "Lp" as crystallite output
2011-02-25 13:45:26 +05:30
mySize = 9_pInt
some lines in crystallite.f90 exceeded limit of 132 characters fixed bug in Lib_VTK_IO.f90 (informed author as well) added zip file containing source of Lib_VTK_IO.f90
2013-05-08 23:18:00 +05:30
crystallite_postResults(c+1:c+mySize) = &
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
reshape(math_transpose33(crystallite_Lp(1:3,1:3,ipc,ip,el)),[mySize])
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case (p_ID)
added some output variables in crystallite: F, Fe, Fp, Ee, P, S
2010-05-18 13:27:13 +05:30
mySize = 9_pInt
some lines in crystallite.f90 exceeded limit of 132 characters fixed bug in Lib_VTK_IO.f90 (informed author as well) added zip file containing source of Lib_VTK_IO.f90
2013-05-08 23:18:00 +05:30
crystallite_postResults(c+1:c+mySize) = &
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
reshape(math_transpose33(crystallite_P(1:3,1:3,ipc,ip,el)),[mySize])
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case (s_ID)
added some output variables in crystallite: F, Fe, Fp, Ee, P, S
2010-05-18 13:27:13 +05:30
mySize = 9_pInt
some lines in crystallite.f90 exceeded limit of 132 characters fixed bug in Lib_VTK_IO.f90 (informed author as well) added zip file containing source of Lib_VTK_IO.f90
2013-05-08 23:18:00 +05:30
crystallite_postResults(c+1:c+mySize) = &
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
reshape(math_Mandel6to33(crystallite_Tstar_v(1:6,ipc,ip,el)),[mySize])
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case (elasmatrix_ID)
added elastic stiffness matrix as crystallite output
2012-03-01 18:36:09 +05:30
mySize = 36_pInt
removed temperature integration and corresponding data structures and debugging options temperature is stored in crystallite, but homogeneous on one IP (not an component (grain) quantity and an input value parsed in by the BVP solver. introduced heat, a component (grain) quantity which is homogenized before returned to the heat transfer solver. went ahead with removal of dummy functions in homogenization and constitutive, this time mainly reduced function signatures to reflect actually needed quantities.
2013-10-16 18:34:59 +05:30
crystallite_postResults(c+1:c+mySize) = reshape(constitutive_homogenizedC(ipc,ip,el),[mySize])
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case(neighboringelement_ID)
added crystallite output "neighboringelement" and "neighboringip" some polishing in crystallite_postResults
2013-05-08 17:32:30 +05:30
mySize = mesh_maxNipNeighbors
crystallite_postResults(c+1:c+mySize) = 0.0_pReal
forall (n = 1_pInt:FE_NipNeighbors(FE_celltype(FE_geomtype(mesh_element(2,el))))) &
crystallite_postResults(c+n) = real(mesh_ipNeighborhood(1,n,ip,el),pReal)
indroduced sourced allocation, enums where applicable (some parts still missing). fixed bug when having recursive file input
2013-12-12 22:39:59 +05:30
case(neighboringip_ID)
added crystallite output "neighboringelement" and "neighboringip" some polishing in crystallite_postResults
2013-05-08 17:32:30 +05:30
mySize = mesh_maxNipNeighbors
crystallite_postResults(c+1:c+mySize) = 0.0_pReal
forall (n = 1_pInt:FE_NipNeighbors(FE_celltype(FE_geomtype(mesh_element(2,el))))) &
crystallite_postResults(c+n) = real(mesh_ipNeighborhood(2,n,ip,el),pReal)
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
no need to allocate a large array for constitutive(thermal,damage)_sizePostResults (changes apply only to new state)
2014-06-30 20:17:30 +05:30
crystallite_postResults(c+1) = real(plasticState(material_phase(ipc,ip,el))%sizePostResults,pReal) ! size of constitutive results
c = c + 1_pInt
subsumed constitutive_damage/thermal into constitutive
2014-09-23 16:08:20 +05:30
if (size(crystallite_postResults)-c > 0_pInt) &
crystallite_postResults(c+1:size(crystallite_postResults)) = &
no need to allocate a large array for constitutive(thermal,damage)_sizePostResults (changes apply only to new state)
2014-06-30 20:17:30 +05:30
constitutive_postResults(crystallite_Tstar_v(1:6,ipc,ip,el), crystallite_Fe, &
crystallite_temperature(ip,el), ipc, ip, el)
modified state integrators to perform staggered integration of plasticity damage and thermal internal variables
2014-06-25 04:51:25 +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
fixed small allocation flaws for new state
2014-05-12 18:30:37 +05:30
doxygen comments
2013-02-22 04:38:36 +05:30
end module crystallite