223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity
DAMASK_EICMD/code/DAMASK_spectral.f90

1138 lines
71 KiB
Fortran
Raw Normal View History

added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
! Copyright 2012 Max-Planck-Institut fuer Eisenforschung GmbH
added copyright text to all f90 (free) format files
2011-04-04 19:39:54 +05:30
!
! This file is part of DAMASK,
started to implement restart facilities for spectral solver. restart write is on per default restart read is switched on by using --restart or -r INT where INT gives step at which the calculation should restart setting INT to a value <1 will turn restart write off
2011-11-04 01:02:11 +05:30
! the Duesseldorf Advanced Material Simulation Kit.
added copyright text to all f90 (free) format files
2011-04-04 19:39:54 +05:30
!
! DAMASK is free software: you can redistribute it and/or modify
! it under the terms of the GNU General Public License as published by
! the Free Software Foundation, either version 3 of the License, or
! (at your option) any later version.
!
! DAMASK is distributed in the hope that it will be useful,
! but WITHOUT ANY WARRANTY; without even the implied warranty of
! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
! GNU General Public License for more details.
!
! You should have received a copy of the GNU General Public License
! along with DAMASK. If not, see <http://www.gnu.org/licenses/>.
!
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!##################################################################################################
added ID functionality and correct line endings
2010-06-08 15:40:57 +05:30
!* $Id$
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!##################################################################################################
first shot at mpie_spectral wrapper
2010-06-08 15:38:15 +05:30
! Material subroutine for BVP solution using spectral method
!
added kdtree2 source and changed makefile to compile it. started to implement the nearest neighbor search for regridding corrected calculation of divergence in real space. corrected handling of maximum stress deviation (removed mask)
2012-01-04 23:13:26 +05:30
! Run 'DAMASK_spectral.exe --help' to get usage hints
!
first shot at mpie_spectral wrapper
2010-06-08 15:38:15 +05:30
! written by P. Eisenlohr,
! F. Roters,
! L. Hantcherli,
mpie_spectral and mpie_interface: changed workingdir from pathToLoadFile to pathToGeomFile mpie_spectral and numerics: added switch to prevent pre calculation of gamma_hat. slower, but saves memory 3Dvisualize: started to add support for gmsh (not fully working yet) reconstruct: new version of f2py/Fortran subroutines for output of results from spectral method
2011-02-07 20:05:42 +05:30
! W.A. Counts,
! D.D. Tjahjanto,
! C. Kords,
! M. Diehl,
first shot at mpie_spectral wrapper
2010-06-08 15:38:15 +05:30
! R. Lebensohn
!
! MPI fuer Eisenforschung, Duesseldorf
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!##################################################################################################
! used modules
!##################################################################################################
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
program DAMASK_spectral
first shot at mpie_spectral wrapper
2010-06-08 15:38:15 +05:30
renamed interface from "mpie_interface" to "DAMASK_interface"
2011-05-11 22:31:03 +05:30
use DAMASK_interface
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
use prec, only: pInt, pReal, DAMASK_NaN
use IO
use debug, only: debug_spectral, &
debug_spectralGeneral, &
debug_spectralDivergence, &
debug_spectralRestart, &
debug_spectralFFTW
changed types of integers and reals in fourier transform, changed some variables and cleaned up code to make it easier to understand
2010-07-05 21:31:36 +05:30
use math
added kdtree2 source and changed makefile to compile it. started to implement the nearest neighbor search for regridding corrected calculation of divergence in real space. corrected handling of maximum stress deviation (removed mask)
2012-01-04 23:13:26 +05:30
use kdtree2_module
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
use CPFEM, only: CPFEM_general, CPFEM_initAll
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
use FEsolving, only: restartWrite, restartInc
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
use numerics, only: err_div_tol, err_stress_tolrel, rotation_tol, itmax, &
memory_efficient, update_gamma, &
simplified_algorithm, divergence_correction, &
DAMASK_NumThreadsInt, &
fftw_planner_flag, fftw_timelimit
use homogenization, only: materialpoint_sizeResults, materialpoint_results
!$ use OMP_LIB ! the openMP function library
!##################################################################################################
! variable declaration
!##################################################################################################
first shot at mpie_spectral wrapper
2010-06-08 15:38:15 +05:30
implicit none
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! variables to read from load case and geom file
real(pReal), dimension(9) :: temp_valueVector ! stores information temporarily from loadcase file
logical, dimension(9) :: temp_maskVector
integer(pInt), parameter :: maxNchunksLoadcase = (1_pInt + 9_pInt)*3_pInt +& ! deformation, rotation, and stress
(1_pInt + 1_pInt)*5_pInt +& ! time, (log)incs, temp, restartfrequency, and outputfrequency
1_pInt, & ! dropguessing
maxNchunksGeom = 7_pInt, & ! 4 identifiers, 3 values
myUnit = 234_pInt
integer(pInt), dimension(1_pInt + maxNchunksLoadcase*2_pInt) :: positions ! this is longer than needed for geometry parsing
integer(pInt) :: headerLength,&
N_l = 0_pInt,&
N_t = 0_pInt,&
N_n = 0_pInt,&
N_Fdot = 0_pInt
using keywords to indicate geometry and loadcase enabled finetuning of FFTW added some debugging options reading in rotation of boundary conditions using header in geometry file corrected error in calculating tolerance for stress BC polishing of output, variable declaration, and variable names
2011-10-18 20:15:32 +05:30
character(len=1024) :: path, line, keyword
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
logical :: gotResolution = .false.,&
gotDimension = .false.,&
gotHomogenization = .false.
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
type bc_type
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
real(pReal), dimension (3,3) :: deformation = 0.0_pReal, & ! applied velocity gradient or time derivative of deformation gradient
stress = 0.0_pReal, & ! stress BC (if applicable)
rotation = math_I3 ! rotation of BC (if applicable)
real(pReal) :: time = 0.0_pReal, & ! length of increment
changed calculation of gamma_hat back to (working, but theoretically wrong) order
2012-02-13 22:45:02 +05:30
temperature = 300.0_pReal ! isothermal starting conditions
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
integer(pInt) :: incs = 0_pInt, & ! number of increments
outputfrequency = 1_pInt, & ! frequency of result writes
restartfrequency = 0_pInt, & ! frequency of restart writes
logscale = 0_pInt ! linear/logaritmic time inc flag
logical :: followFormerTrajectory = .true., & ! follow trajectory of former loadcase
velGradApplied = .false. ! decide wether velocity gradient or fdot is given
logical, dimension(3,3) :: maskDeformation = .false., & ! mask of deformation boundary conditions
maskStress = .false. ! mask of stress boundary conditions
logical, dimension(9) :: maskStressVector = .false. ! linear mask of boundary conditions
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
end type
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
type(bc_type), allocatable, dimension(:) :: bc
renamed debug variables, plus additional "beautification". renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 15:53:05 +05:30
character(len=6) :: loadcase_string
added first version of spectral method, changed corrected functions to get correct path to files
2010-07-01 20:50:06 +05:30
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
changed makefile: material subroutines are now compiled using openmp, enabled linux threads for fftw3 (also did some slight changes to enable that in the fortran source code) renamed mpie_spectral2.f90 to mpie_spectral2d.f90 (testing file, not properly working at the moment) changed file extension and variable names in mpie_spectral.f90 and mpie_spectral_interface.f90 from "mesh" to "geom". Removed direct output from mpie_spectral.f90, all output is now base on materialpoint_results(:,1,:)
2011-01-07 18:26:45 +05:30
! variables storing information from geom file
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
real(pReal) :: wgt
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
real(pReal), dimension(3) :: geomdim = 0.0_pReal ! physical dimension of volume element per direction
integer(pInt) :: Npoints,& ! number of Fourier points
homog ! homogenization scheme used
integer(pInt), dimension(3) :: res = 1_pInt ! resolution (number of Fourier points) in each direction
integer(pInt) :: res1_red ! to store res(1)/2 +1
added first version of spectral method, changed corrected functions to get correct path to files
2010-07-01 20:50:06 +05:30
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
corrected determination of restartRead from commandline (now done by FEsolving instead of DAMASK_spectral_interface) recompiled fftw libraries with --enable-shared to make them work with f2py added draft for compilation test of spectral solver
2011-11-07 23:55:10 +05:30
! stress, stiffness and compliance average etc.
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
real(pReal), dimension(3,3) :: pstress, pstress_av, &
defgradAim = math_I3, defgradAimOld = math_I3,&
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
mask_stress, mask_defgrad, deltaF, &
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
pstress_av_lab, defgradAim_lab, defgrad_av_lab ! quantities rotated to other coordinate system
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
real(pReal), dimension(3,3,3,3) :: dPdF, c0_reference, c_current = 0.0_pReal, s_prev, c_prev,& ! stiffness and compliance
s0_reference
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
real(pReal), dimension(6) :: cstress ! cauchy stress
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
real(pReal), dimension(6,6) :: dsde, c0_66, s0_66 ! small strain stiffness
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
real(pReal), dimension(9,9) :: s_prev99, c_prev99 ! compliance and stiffness in matrix notation
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
real(pReal), dimension(:,:), allocatable :: s_reduced, c_reduced ! reduced compliance and stiffness (only for stress BC)
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
integer(pInt) :: size_reduced = 0_pInt ! number of stress BCs
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
using keywords to indicate geometry and loadcase enabled finetuning of FFTW added some debugging options reading in rotation of boundary conditions using header in geometry file corrected error in calculating tolerance for stress BC polishing of output, variable declaration, and variable names
2011-10-18 20:15:32 +05:30
! pointwise data
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
type(C_PTR) :: tensorField, tau ! fields in real an fourier space
real(pReal), dimension(:,:,:,:,:), pointer :: tensorField_real ! fields in real space (pointer)
real(pReal), dimension(:,:,:,:,:), pointer :: tau_real
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
complex(pReal), dimension(:,:,:,:,:), pointer :: tensorField_fourier ! fields in fourier space (pointer)
complex(pReal), dimension(:,:,:,:,:), pointer :: tau_fourier
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
real(pReal), dimension(:,:,:,:,:), allocatable :: defgrad, defgradold
real(pReal), dimension(:,:,:,:), allocatable :: coordinates
real(pReal), dimension(:,:,:), allocatable :: temperature
!--------------------------------------------------------------------------------------------------
some small improvements regarding the rotation of the loadcase frame
2011-10-25 19:08:24 +05:30
! variables storing information for spectral method and FFTW
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
type(C_PTR) :: plan_stress, plan_correction, plan_tau ! plans for fftw
real(pReal), dimension(3,3) :: xiDyad ! product of wave vectors
real(pReal), dimension(:,:,:,:,:,:,:), allocatable :: gamma_hat ! gamma operator (field) for spectral method
real(pReal), dimension(:,:,:,:), allocatable :: xi ! wave vector field for divergence and for gamma operator
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
integer(pInt), dimension(3) :: k_s
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
mpie_spectral and mpie_interface: changed workingdir from pathToLoadFile to pathToGeomFile mpie_spectral and numerics: added switch to prevent pre calculation of gamma_hat. slower, but saves memory 3Dvisualize: started to add support for gmsh (not fully working yet) reconstruct: new version of f2py/Fortran subroutines for output of results from spectral method
2011-02-07 20:05:42 +05:30
! loop variables, convergence etc.
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
real(pReal) :: time = 0.0_pReal, time0 = 0.0_pReal, timeinc = 1.0_pReal, timeinc_old = 0.0_pReal ! elapsed time, begin of interval, time interval
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
real(pReal) :: guessmode, err_div, err_stress, err_stress_tol
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
real(pReal), dimension(3,3), parameter :: ones = 1.0_pReal, zeroes = 0.0_pReal
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
complex(pReal), dimension(3) :: temp3_Complex
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
complex(pReal), dimension(3,3) :: temp33_Complex
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
real(pReal), dimension(3,3) :: temp33_Real
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
integer(pInt) :: i, j, k, l, m, n, p, errorID
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
integer(pInt) :: N_Loadcases, loadcase, inc, iter, ielem, CPFEM_mode, &
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
ierr, totalIncsCounter = 0_pInt,&
notConvergedCounter = 0_pInt, convergedCounter = 0_pInt
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
logical :: errmatinv
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
real(pReal) :: defgradDet, correctionFactor
!--------------------------------------------------------------------------------------------------
!variables controlling debugging
logical :: debugGeneral, debugDivergence, debugRestart, debugFFTW
!--------------------------------------------------------------------------------------------------
!variables for additional output due to general debugging
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
real(pReal) :: defgradDetMax, defgradDetMin, maxCorrectionSym, maxCorrectionSkew
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! variables for additional output of divergence calculations
type(C_PTR) :: divergence, plan_divergence
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
real(pReal), dimension(:,:,:,:), pointer :: divergence_real
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
complex(pReal), dimension(:,:,:,:), pointer :: divergence_fourier
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
real(pReal), dimension(:,:,:,:), allocatable :: divergence_postProc
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
real(pReal) :: pstress_av_L2, err_div_RMS, err_real_div_RMS,&
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
err_div_max, err_real_div_max,&
max_div_error
!--------------------------------------------------------------------------------------------------
! variables for debugging fft using a scalar field
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
type(C_PTR) :: scalarField_realC, scalarField_fourierC,&
N^2 initialization loop (former spectralPictureMode) rewritten in material.f90 additional output in DAMASK_spectral_interface.f90 132 character cut off in constitutive_nonlocal.f90 rounding error in math.f90 complex number initialization (1.0_pReal)*2.0_pReal*pi new $DAMASK_NUM_THREADS warning in numerics.f90 / IO.f90 polishing in DAMASK_spectral.f90
2012-01-30 19:22:41 +05:30
plan_scalarField_forth, plan_scalarField_back
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
complex(pReal), dimension(:,:,:), pointer :: scalarField_real
complex(pReal), dimension(:,:,:), pointer :: scalarField_fourier
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
integer(pInt) :: row, column
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!##################################################################################################
! reading of information from load case file and geometry file
!##################################################################################################
!$ call omp_set_num_threads(DAMASK_NumThreadsInt) ! set number of threads for parallel execution set by DAMASK_NUM_THREADS
started to implement restart facilities for spectral solver. restart write is on per default restart read is switched on by using --restart or -r INT where INT gives step at which the calculation should restart setting INT to a value <1 will turn restart write off
2011-11-04 01:02:11 +05:30
call DAMASK_interface_init()
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
started to implement restart facilities for spectral solver. restart write is on per default restart read is switched on by using --restart or -r INT where INT gives step at which the calculation should restart setting INT to a value <1 will turn restart write off
2011-11-04 01:02:11 +05:30
print '(a)', ''
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
print '(a)', ' <<<+- DAMASK_spectral init -+>>>'
print '(a)', ' $Id$'
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"
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
print '(a,a)', ' Working Directory: ',trim(getSolverWorkingDirectoryName())
print '(a,a)', ' Solver Job Name: ',trim(getSolverJobName())
started to implement restart facilities for spectral solver. restart write is on per default restart read is switched on by using --restart or -r INT where INT gives step at which the calculation should restart setting INT to a value <1 will turn restart write off
2011-11-04 01:02:11 +05:30
print '(a)', ''
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! reading the load case file and allocate data structure containing load cases
started to implement restart facilities for spectral solver. restart write is on per default restart read is switched on by using --restart or -r INT where INT gives step at which the calculation should restart setting INT to a value <1 will turn restart write off
2011-11-04 01:02:11 +05:30
path = getLoadcaseName()
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
call IO_open_file(myUnit,path)
using keywords to indicate geometry and loadcase enabled finetuning of FFTW added some debugging options reading in rotation of boundary conditions using header in geometry file corrected error in calculating tolerance for stress BC polishing of output, variable declaration, and variable names
2011-10-18 20:15:32 +05:30
rewind(myUnit)
mpie_spectral now can read loadcase data adapted error codes
2010-06-10 20:21:10 +05:30
do
using keywords to indicate geometry and loadcase enabled finetuning of FFTW added some debugging options reading in rotation of boundary conditions using header in geometry file corrected error in calculating tolerance for stress BC polishing of output, variable declaration, and variable names
2011-10-18 20:15:32 +05:30
read(myUnit,'(a1024)',END = 100) line
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
if (IO_isBlank(line)) cycle ! skip empty lines
renamed debug variables, plus additional "beautification". renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 15:53:05 +05:30
positions = IO_stringPos(line,maxNchunksLoadcase)
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
do i = 1_pInt, maxNchunksLoadcase, 1_pInt ! reading compulsory parameters for loadcase
renamed debug variables, plus additional "beautification". renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 15:53:05 +05:30
select case (IO_lc(IO_stringValue(line,positions,i)))
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
case('l','velocitygrad','velgrad','velocitygradient')
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
N_l = N_l + 1_pInt
added "dotF" synonym to load case parsing.
2012-02-10 23:15:45 +05:30
case('fdot','dotf')
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
N_Fdot = N_Fdot + 1_pInt
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
case('t','time','delta')
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
N_t = N_t + 1_pInt
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
case('n','incs','increments','steps','logincs','logsteps')
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
N_n = N_n + 1_pInt
mpie_spectral now can read loadcase data adapted error codes
2010-06-10 20:21:10 +05:30
end select
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
enddo ! count all identifiers to allocate memory and do sanity check
mpie_spectral now can read loadcase data adapted error codes
2010-06-10 20:21:10 +05:30
enddo
added some basic I/O functions to mpie_spectral.f90
2010-06-10 14:20:04 +05:30
using keywords to indicate geometry and loadcase enabled finetuning of FFTW added some debugging options reading in rotation of boundary conditions using header in geometry file corrected error in calculating tolerance for stress BC polishing of output, variable declaration, and variable names
2011-10-18 20:15:32 +05:30
100 N_Loadcases = N_n
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
if ((N_l + N_Fdot /= N_n) .or. (N_n /= N_t)) & ! sanity check
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
call IO_error(error_ID=837_pInt,ext_msg = trim(path)) ! error message for incomplete loadcase
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
allocate (bc(N_Loadcases))
mpie_spectral now can read loadcase data adapted error codes
2010-06-10 20:21:10 +05:30
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! reading the load case and assign values to the allocated data structure
using keywords to indicate geometry and loadcase enabled finetuning of FFTW added some debugging options reading in rotation of boundary conditions using header in geometry file corrected error in calculating tolerance for stress BC polishing of output, variable declaration, and variable names
2011-10-18 20:15:32 +05:30
rewind(myUnit)
added and rearranged error messages, polished output and simplified calculation of f depending on fdot or L guessing along former trajectory is now on per default, 'guessreset' and 'dropguessing' switch it off.
2011-07-14 15:07:31 +05:30
loadcase = 0_pInt
mpie_spectral now can read loadcase data adapted error codes
2010-06-10 20:21:10 +05:30
do
using keywords to indicate geometry and loadcase enabled finetuning of FFTW added some debugging options reading in rotation of boundary conditions using header in geometry file corrected error in calculating tolerance for stress BC polishing of output, variable declaration, and variable names
2011-10-18 20:15:32 +05:30
read(myUnit,'(a1024)',END = 101) line
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
if (IO_isBlank(line)) cycle ! skip empty lines
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
loadcase = loadcase + 1_pInt
renamed debug variables, plus additional "beautification". renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 15:53:05 +05:30
positions = IO_stringPos(line,maxNchunksLoadcase)
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
do j = 1_pInt,maxNchunksLoadcase
renamed debug variables, plus additional "beautification". renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 15:53:05 +05:30
select case (IO_lc(IO_stringValue(line,positions,j)))
added missing 'dotF'
2012-02-13 18:11:44 +05:30
case('fdot','dotf','l','velocitygrad','velgrad','velocitygradient') ! assign values for the deformation BC matrix
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
bc(loadcase)%velGradApplied = &
(IO_lc(IO_stringValue(line,positions,j)) == 'l'.or. & ! in case of given L, set flag to true
IO_lc(IO_stringValue(line,positions,j)) == 'velocitygrad'.or.&
IO_lc(IO_stringValue(line,positions,j)) == 'velgrad'.or.&
IO_lc(IO_stringValue(line,positions,j)) == 'velocitygradient')
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
temp_valueVector = 0.0_pReal
temp_maskVector = .false.
renamed debug variables, plus additional "beautification". renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 15:53:05 +05:30
forall (k = 1_pInt:9_pInt) temp_maskVector(k) = IO_stringValue(line,positions,j+k) /= '*'
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
do k = 1_pInt,9_pInt
renamed debug variables, plus additional "beautification". renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 15:53:05 +05:30
if (temp_maskVector(k)) temp_valueVector(k) = IO_floatValue(line,positions,j+k)
mpie_spectral now can read loadcase data adapted error codes
2010-06-10 20:21:10 +05:30
enddo
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
bc(loadcase)%maskDeformation = transpose(reshape(temp_maskVector,[ 3,3]))
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
bc(loadcase)%deformation = math_plain9to33(temp_valueVector)
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
case('p','pk1','piolakirchhoff','stress')
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
temp_valueVector = 0.0_pReal
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
forall (k = 1_pInt:9_pInt) bc(loadcase)%maskStressVector(k) =&
IO_stringValue(line,positions,j+k) /= '*'
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
do k = 1_pInt,9_pInt
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
if (bc(loadcase)%maskStressVector(k)) temp_valueVector(k) =&
IO_floatValue(line,positions,j+k) ! assign values for the bc(loadcase)%stress matrix
mpie_spectral now can read loadcase data adapted error codes
2010-06-10 20:21:10 +05:30
enddo
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
bc(loadcase)%maskStress = transpose(reshape(bc(loadcase)%maskStressVector,[ 3,3]))
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
bc(loadcase)%stress = math_plain9to33(temp_valueVector)
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
case('t','time','delta') ! increment time
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
bc(loadcase)%time = IO_floatValue(line,positions,j+1_pInt)
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
case('temp','temperature') ! starting temperature
renamed debug variables, plus additional "beautification". renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 15:53:05 +05:30
bc(loadcase)%temperature = IO_floatValue(line,positions,j+1_pInt)
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
case('n','incs','increments','steps') ! number of increments
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
bc(loadcase)%incs = IO_intValue(line,positions,j+1_pInt)
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
case('logincs','logincrements','logsteps') ! number of increments (switch to log time scaling)
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
bc(loadcase)%incs = IO_intValue(line,positions,j+1_pInt)
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
bc(loadcase)%logscale = 1_pInt
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
case('f','freq','frequency','outputfreq') ! frequency of result writings
renamed debug variables, plus additional "beautification". renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 15:53:05 +05:30
bc(loadcase)%outputfrequency = IO_intValue(line,positions,j+1_pInt)
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
case('r','restart','restartwrite') ! frequency of writing restart information
renamed debug variables, plus additional "beautification". renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 15:53:05 +05:30
bc(loadcase)%restartfrequency = max(0_pInt,IO_intValue(line,positions,j+1_pInt))
added and rearranged error messages, polished output and simplified calculation of f depending on fdot or L guessing along former trajectory is now on per default, 'guessreset' and 'dropguessing' switch it off.
2011-07-14 15:07:31 +05:30
case('guessreset','dropguessing')
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
bc(loadcase)%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory
case('euler') ! rotation of loadcase given in euler angles
p = 0_pInt ! assuming values given in radians
l = 1_pInt ! assuming keyword indicating degree/radians
renamed debug variables, plus additional "beautification". renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 15:53:05 +05:30
select case (IO_lc(IO_stringValue(line,positions,j+1_pInt)))
using keywords to indicate geometry and loadcase enabled finetuning of FFTW added some debugging options reading in rotation of boundary conditions using header in geometry file corrected error in calculating tolerance for stress BC polishing of output, variable declaration, and variable names
2011-10-18 20:15:32 +05:30
case('deg','degree')
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
p = 1_pInt ! for conversion from degree to radian
using keywords to indicate geometry and loadcase enabled finetuning of FFTW added some debugging options reading in rotation of boundary conditions using header in geometry file corrected error in calculating tolerance for stress BC polishing of output, variable declaration, and variable names
2011-10-18 20:15:32 +05:30
case('rad','radian')
case default
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
l = 0_pInt ! immediately reading in angles, assuming radians
using keywords to indicate geometry and loadcase enabled finetuning of FFTW added some debugging options reading in rotation of boundary conditions using header in geometry file corrected error in calculating tolerance for stress BC polishing of output, variable declaration, and variable names
2011-10-18 20:15:32 +05:30
end select
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
forall(k = 1_pInt:3_pInt) temp33_Real(k,1) = &
IO_floatValue(line,positions,j+l+k) * real(p,pReal) * inRad
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
bc(loadcase)%rotation = math_EulerToR(temp33_Real(:,1))
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
case('rotation','rot') ! assign values for the rotation of loadcase matrix
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
temp_valueVector = 0.0_pReal
renamed debug variables, plus additional "beautification". renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 15:53:05 +05:30
forall (k = 1_pInt:9_pInt) temp_valueVector(k) = IO_floatValue(line,positions,j+k)
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
bc(loadcase)%rotation = math_plain9to33(temp_valueVector)
mpie_spectral now can read loadcase data adapted error codes
2010-06-10 20:21:10 +05:30
end select
added fftw3 as fft(library will not versioned, should be in a linkable folder) , did some corrections on the code, splitted main file up (allows use of makefile), added makefile changes on mpie_spectral.f90: new structure, changed variable names, now using defgrad instead of disgrad, cleaned up, removed augmented Lagrange. ToDo: Implement Augmented Lagrange again (but then a working version), implement Large strain, think about complex-to real-transform backwards, try to implement MP-support
2010-08-27 22:09:38 +05:30
enddo; enddo
using keywords to indicate geometry and loadcase enabled finetuning of FFTW added some debugging options reading in rotation of boundary conditions using header in geometry file corrected error in calculating tolerance for stress BC polishing of output, variable declaration, and variable names
2011-10-18 20:15:32 +05:30
101 close(myUnit)
added fftw3 as fft(library will not versioned, should be in a linkable folder) , did some corrections on the code, splitted main file up (allows use of makefile), added makefile changes on mpie_spectral.f90: new structure, changed variable names, now using defgrad instead of disgrad, cleaned up, removed augmented Lagrange. ToDo: Implement Augmented Lagrange again (but then a working version), implement Large strain, think about complex-to real-transform backwards, try to implement MP-support
2010-08-27 22:09:38 +05:30
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!-------------------------------------------------------------------------------------------------- ToDo: if temperature at CPFEM is treated properly, move this up immediately after interface init
! initialization of all related DAMASK modules (e.g. mesh.f90 reads in geometry)
call CPFEM_initAll(bc(1)%temperature,1_pInt,1_pInt)
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
if (update_gamma .and. .not. memory_efficient) call IO_error(error_ID = 847_pInt)
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! read header of geom file to get size information. complete geom file is intepretated by mesh.f90
extended IO to cope with different name for solverJob and Model polishing, added error codes added FFTW library files
2011-02-21 20:07:38 +05:30
path = getModelName()
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
call IO_open_file(myUnit,trim(path)//InputFileExtension)
using keywords to indicate geometry and loadcase enabled finetuning of FFTW added some debugging options reading in rotation of boundary conditions using header in geometry file corrected error in calculating tolerance for stress BC polishing of output, variable declaration, and variable names
2011-10-18 20:15:32 +05:30
rewind(myUnit)
read(myUnit,'(a1024)') line
renamed debug variables, plus additional "beautification". renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 15:53:05 +05:30
positions = IO_stringPos(line,2_pInt)
keyword = IO_lc(IO_StringValue(line,positions,2_pInt))
using keywords to indicate geometry and loadcase enabled finetuning of FFTW added some debugging options reading in rotation of boundary conditions using header in geometry file corrected error in calculating tolerance for stress BC polishing of output, variable declaration, and variable names
2011-10-18 20:15:32 +05:30
if (keyword(1:4) == 'head') then
renamed debug variables, plus additional "beautification". renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 15:53:05 +05:30
headerLength = IO_intValue(line,positions,1_pInt) + 1_pInt
using keywords to indicate geometry and loadcase enabled finetuning of FFTW added some debugging options reading in rotation of boundary conditions using header in geometry file corrected error in calculating tolerance for stress BC polishing of output, variable declaration, and variable names
2011-10-18 20:15:32 +05:30
else
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
call IO_error(error_ID=842_pInt)
using keywords to indicate geometry and loadcase enabled finetuning of FFTW added some debugging options reading in rotation of boundary conditions using header in geometry file corrected error in calculating tolerance for stress BC polishing of output, variable declaration, and variable names
2011-10-18 20:15:32 +05:30
endif
rewind(myUnit)
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
do i = 1_pInt, headerLength
using keywords to indicate geometry and loadcase enabled finetuning of FFTW added some debugging options reading in rotation of boundary conditions using header in geometry file corrected error in calculating tolerance for stress BC polishing of output, variable declaration, and variable names
2011-10-18 20:15:32 +05:30
read(myUnit,'(a1024)') line
renamed debug variables, plus additional "beautification". renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 15:53:05 +05:30
positions = IO_stringPos(line,maxNchunksGeom)
select case ( IO_lc(IO_StringValue(line,positions,1)) )
added functions to read out resolution, dimension and homogenization from mesh file
2010-06-25 17:01:05 +05:30
case ('dimension')
added functions math_mul33x3_complex math_Plain99to3333 to math.f90. mpie_spectral.f90 uses both functions math_Plain99to3333 is used for inversion of c0 math_mul33x3_complex is used for equilibrium check in fourier space also did some cleaning up on mpie_spectral.f90
2010-09-22 17:34:43 +05:30
gotDimension = .true.
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
do j = 2_pInt,6_pInt,2_pInt
renamed debug variables, plus additional "beautification". renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 15:53:05 +05:30
select case (IO_lc(IO_stringValue(line,positions,j)))
added functions math_mul33x3_complex math_Plain99to3333 to math.f90. mpie_spectral.f90 uses both functions math_Plain99to3333 is used for inversion of c0 math_mul33x3_complex is used for equilibrium check in fourier space also did some cleaning up on mpie_spectral.f90
2010-09-22 17:34:43 +05:30
case('x')
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
geomdim(1) = IO_floatValue(line,positions,j+1_pInt)
added functions math_mul33x3_complex math_Plain99to3333 to math.f90. mpie_spectral.f90 uses both functions math_Plain99to3333 is used for inversion of c0 math_mul33x3_complex is used for equilibrium check in fourier space also did some cleaning up on mpie_spectral.f90
2010-09-22 17:34:43 +05:30
case('y')
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
geomdim(2) = IO_floatValue(line,positions,j+1_pInt)
added functions math_mul33x3_complex math_Plain99to3333 to math.f90. mpie_spectral.f90 uses both functions math_Plain99to3333 is used for inversion of c0 math_mul33x3_complex is used for equilibrium check in fourier space also did some cleaning up on mpie_spectral.f90
2010-09-22 17:34:43 +05:30
case('z')
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
geomdim(3) = IO_floatValue(line,positions,j+1_pInt)
added functions math_mul33x3_complex math_Plain99to3333 to math.f90. mpie_spectral.f90 uses both functions math_Plain99to3333 is used for inversion of c0 math_mul33x3_complex is used for equilibrium check in fourier space also did some cleaning up on mpie_spectral.f90
2010-09-22 17:34:43 +05:30
end select
enddo
added functions to read out resolution, dimension and homogenization from mesh file
2010-06-25 17:01:05 +05:30
case ('homogenization')
added functions math_mul33x3_complex math_Plain99to3333 to math.f90. mpie_spectral.f90 uses both functions math_Plain99to3333 is used for inversion of c0 math_mul33x3_complex is used for equilibrium check in fourier space also did some cleaning up on mpie_spectral.f90
2010-09-22 17:34:43 +05:30
gotHomogenization = .true.
renamed debug variables, plus additional "beautification". renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 15:53:05 +05:30
homog = IO_intValue(line,positions,2_pInt)
added functions to read out resolution, dimension and homogenization from mesh file
2010-06-25 17:01:05 +05:30
case ('resolution')
added functions math_mul33x3_complex math_Plain99to3333 to math.f90. mpie_spectral.f90 uses both functions math_Plain99to3333 is used for inversion of c0 math_mul33x3_complex is used for equilibrium check in fourier space also did some cleaning up on mpie_spectral.f90
2010-09-22 17:34:43 +05:30
gotResolution = .true.
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
do j = 2_pInt,6_pInt,2_pInt
renamed debug variables, plus additional "beautification". renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 15:53:05 +05:30
select case (IO_lc(IO_stringValue(line,positions,j)))
added functions math_mul33x3_complex math_Plain99to3333 to math.f90. mpie_spectral.f90 uses both functions math_Plain99to3333 is used for inversion of c0 math_mul33x3_complex is used for equilibrium check in fourier space also did some cleaning up on mpie_spectral.f90
2010-09-22 17:34:43 +05:30
case('a')
renamed debug variables, plus additional "beautification". renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 15:53:05 +05:30
res(1) = IO_intValue(line,positions,j+1_pInt)
added functions math_mul33x3_complex math_Plain99to3333 to math.f90. mpie_spectral.f90 uses both functions math_Plain99to3333 is used for inversion of c0 math_mul33x3_complex is used for equilibrium check in fourier space also did some cleaning up on mpie_spectral.f90
2010-09-22 17:34:43 +05:30
case('b')
renamed debug variables, plus additional "beautification". renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 15:53:05 +05:30
res(2) = IO_intValue(line,positions,j+1_pInt)
added functions math_mul33x3_complex math_Plain99to3333 to math.f90. mpie_spectral.f90 uses both functions math_Plain99to3333 is used for inversion of c0 math_mul33x3_complex is used for equilibrium check in fourier space also did some cleaning up on mpie_spectral.f90
2010-09-22 17:34:43 +05:30
case('c')
renamed debug variables, plus additional "beautification". renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 15:53:05 +05:30
res(3) = IO_intValue(line,positions,j+1_pInt)
added functions math_mul33x3_complex math_Plain99to3333 to math.f90. mpie_spectral.f90 uses both functions math_Plain99to3333 is used for inversion of c0 math_mul33x3_complex is used for equilibrium check in fourier space also did some cleaning up on mpie_spectral.f90
2010-09-22 17:34:43 +05:30
end select
enddo
added functions to read out resolution, dimension and homogenization from mesh file
2010-06-25 17:01:05 +05:30
end select
enddo
using keywords to indicate geometry and loadcase enabled finetuning of FFTW added some debugging options reading in rotation of boundary conditions using header in geometry file corrected error in calculating tolerance for stress BC polishing of output, variable declaration, and variable names
2011-10-18 20:15:32 +05:30
close(myUnit)
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! sanity checks of geometry parameters
if (.not.(gotDimension .and. gotHomogenization .and. gotResolution))&
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
call IO_error(error_ID = 845_pInt)
if (any(geomdim<=0.0_pReal)) call IO_error(error_ID = 802_pInt)
implemented calculation of divergence in real space, polished spectral debugging
2011-11-21 23:42:40 +05:30
if(mod(res(1),2_pInt)/=0_pInt .or.&
mod(res(2),2_pInt)/=0_pInt .or.&
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
(mod(res(3),2_pInt)/=0_pInt .and. res(3)/= 1_pInt))&
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
call IO_error(error_ID = 803_pInt)
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! variables derived from resolution
res1_red = res(1)/2_pInt + 1_pInt ! size of complex array in first dimension (c2r, r2c)
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
Npoints = res(1)*res(2)*res(3)
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
wgt = 1.0_pReal/real(Npoints, pReal)
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! output of geometry
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
print '(a)', ''
print '(a)', '#############################################################'
print '(a)', 'DAMASK spectral:'
print '(a)', 'The spectral method boundary value problem solver for'
print '(a)', 'the Duesseldorf Advanced Material Simulation Kit'
print '(a)', '#############################################################'
print '(a,a)', 'geometry file: ',trim(path)//'.geom'
print '(a)', '============================================================='
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
print '(a,3(i12 ))','resolution a b c:', res
print '(a,3(f12.5))','dimension x y z:', geomdim
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
print '(a,i5)','homogenization: ',homog
print '(a)', '#############################################################'
print '(a,a)', 'loadcase file: ',trim(getLoadcaseName())
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! consistency checks and output of load case
bc(1)%followFormerTrajectory = .false. ! cannot guess along trajectory for first inc of first loadcase
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
errorID = 0_pInt
restarting seems to work, spectral solver writes own defgrad to disk. step counting rectified added additional output of deformation gradient volume min and max
2011-11-11 19:47:43 +05:30
do loadcase = 1_pInt, N_Loadcases
renamed debug variables, plus additional "beautification". renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 15:53:05 +05:30
write (loadcase_string, '(i6)' ) loadcase
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
print '(a)', '============================================================='
renamed debug variables, plus additional "beautification". renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 15:53:05 +05:30
print '(a,i6)', 'loadcase: ', loadcase
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
if (.not. bc(loadcase)%followFormerTrajectory) print '(a)', 'drop guessing along trajectory'
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
if (bc(loadcase)%velGradApplied) then
do j = 1_pInt, 3_pInt
made DAMASK to work with gfortran: -removed to long lines -restructured f2py modules and merged make_DAMASK2Python into setup processing -setup_code.py now sets library path in makefile and asks for compile switches for spectral code -substituted \ in format strings with $ restructured DAMASK_spectral: -more logical output and structure of code -better input for spectral debug parameters
2011-12-06 22:28:17 +05:30
if (any(bc(loadcase)%maskDeformation(j,1:3) .eqv. .true.) .and. &
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
any(bc(loadcase)%maskDeformation(j,1:3) .eqv. .false.)) errorID = 832_pInt ! each row should be either fully or not at all defined
using keywords to indicate geometry and loadcase enabled finetuning of FFTW added some debugging options reading in rotation of boundary conditions using header in geometry file corrected error in calculating tolerance for stress BC polishing of output, variable declaration, and variable names
2011-10-18 20:15:32 +05:30
enddo
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
print '(a)','velocity gradient:'
using keywords to indicate geometry and loadcase enabled finetuning of FFTW added some debugging options reading in rotation of boundary conditions using header in geometry file corrected error in calculating tolerance for stress BC polishing of output, variable declaration, and variable names
2011-10-18 20:15:32 +05:30
else
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
print '(a)','deformation gradient rate:'
using keywords to indicate geometry and loadcase enabled finetuning of FFTW added some debugging options reading in rotation of boundary conditions using header in geometry file corrected error in calculating tolerance for stress BC polishing of output, variable declaration, and variable names
2011-10-18 20:15:32 +05:30
endif
made code standard conform to Fortran 2008 (ignoring warning concerning comments beyond character 132). Basically, changing "x" format specifier to "Nx" ("1x") plus removing $ format specifier added compiler switches for gfortran and ifort to check for standard conformity old gnu compilers <4.4 are not longer supported because they don't provide the c binding for fftw
2012-02-01 00:48:55 +05:30
write (*,'(3(3(f12.7,1x)/))',advance='no') merge(math_transpose33(bc(loadcase)%deformation),&
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
reshape(spread(DAMASK_NaN,1,9),[ 3,3]),transpose(bc(loadcase)%maskDeformation))
made code standard conform to Fortran 2008 (ignoring warning concerning comments beyond character 132). Basically, changing "x" format specifier to "Nx" ("1x") plus removing $ format specifier added compiler switches for gfortran and ifort to check for standard conformity old gnu compilers <4.4 are not longer supported because they don't provide the c binding for fftw
2012-02-01 00:48:55 +05:30
write (*,'(a,/,3(3(f12.7,1x)/))',advance='no') ' stress / GPa:',&
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
1e-9_pReal*merge(math_transpose33(bc(loadcase)%stress),&
reshape(spread(DAMASK_NaN,1,9),[ 3,3]),transpose(bc(loadcase)%maskStress))
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
if (any(bc(loadcase)%rotation /= math_I3)) &
made code standard conform to Fortran 2008 (ignoring warning concerning comments beyond character 132). Basically, changing "x" format specifier to "Nx" ("1x") plus removing $ format specifier added compiler switches for gfortran and ifort to check for standard conformity old gnu compilers <4.4 are not longer supported because they don't provide the c binding for fftw
2012-02-01 00:48:55 +05:30
write (*,'(a,/,3(3(f12.7,1x)/))',advance='no') ' rotation of loadframe:',&
math_transpose33(bc(loadcase)%rotation)
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
print '(a,f12.6)','temperature:',bc(loadcase)%temperature
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
print '(a,f12.6)','time: ',bc(loadcase)%time
print '(a,i5)' ,'increments: ',bc(loadcase)%incs
made DAMASK to work with gfortran: -removed to long lines -restructured f2py modules and merged make_DAMASK2Python into setup processing -setup_code.py now sets library path in makefile and asks for compile switches for spectral code -substituted \ in format strings with $ restructured DAMASK_spectral: -more logical output and structure of code -better input for spectral debug parameters
2011-12-06 22:28:17 +05:30
print '(a,i5)','output frequency: ',bc(loadcase)%outputfrequency
print '(a,i5)','restart frequency: ',bc(loadcase)%restartfrequency
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
if (any(bc(loadcase)%maskStress .eqv. bc(loadcase)%maskDeformation)) errorID = 831_pInt ! exclusive or masking only
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
if (any(bc(loadcase)%maskStress .and. transpose(bc(loadcase)%maskStress) .and. &
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
reshape([ .false.,.true.,.true.,.true.,.false.,.true.,.true.,.true.,.false.],[ 3,3]))) &
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
errorID = 838_pInt ! no rotation is allowed by stress BC
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
if (any(abs(math_mul33x33(bc(loadcase)%rotation,math_transpose33(bc(loadcase)%rotation))&
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
-math_I3) > reshape(spread(rotation_tol,1,9),[ 3,3]))&
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
.or. abs(math_det33(bc(loadcase)%rotation)) > 1.0_pReal + rotation_tol)&
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
errorID = 846_pInt ! given rotation matrix contains strain
if (bc(loadcase)%time < 0.0_pReal) errorID = 834_pInt ! negative time increment
if (bc(loadcase)%incs < 1_pInt) errorID = 835_pInt ! non-positive incs count
if (bc(loadcase)%outputfrequency < 1_pInt) errorID = 836_pInt ! non-positive result frequency
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
if (errorID > 0_pInt) call IO_error(error_ID = errorID, ext_msg = loadcase_string)
using keywords to indicate geometry and loadcase enabled finetuning of FFTW added some debugging options reading in rotation of boundary conditions using header in geometry file corrected error in calculating tolerance for stress BC polishing of output, variable declaration, and variable names
2011-10-18 20:15:32 +05:30
enddo
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! debugging parameters
debugGeneral = iand(debug_spectral,debug_spectralGeneral) > 0_pInt
debugDivergence = iand(debug_spectral,debug_spectralDivergence) > 0_pInt
debugRestart = iand(debug_spectral,debug_spectralRestart) > 0_pInt
debugFFTW = iand(debug_spectral,debug_spectralFFTW) > 0_pInt
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!##################################################################################################
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
! initialization
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!##################################################################################################
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
allocate (defgrad ( res(1), res(2),res(3),3,3)); defgrad = 0.0_pReal
allocate (defgradold ( res(1), res(2),res(3),3,3)); defgradold = 0.0_pReal
allocate (coordinates( res(1), res(2),res(3),3)); coordinates = 0.0_pReal
allocate (temperature( res(1), res(2),res(3))); temperature = bc(1)%temperature ! start out isothermally
allocate (xi (3,res1_red,res(2),res(3))); xi = 0.0_pReal
tensorField = fftw_alloc_complex(int(res1_red*res(2)*res(3)*9_pInt,C_SIZE_T)) ! allocate continous data using a C function, C_SIZE_T is of type integer(8)
call c_f_pointer(tensorField, tensorField_real, [ res(1)+2_pInt,res(2),res(3),3,3]) ! place a pointer for the real representation
call c_f_pointer(tensorField, tensorField_fourier, [ res1_red, res(2),res(3),3,3]) ! place a pointer for the complex representation
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
! init fields to no deformation
ielem = 0_pInt
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
ielem = ielem + 1_pInt
defgrad(i,j,k,1:3,1:3) = math_I3
defgradold(i,j,k,1:3,1:3) = math_I3
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
coordinates(i,j,k,1:3) = geomdim/real(res * [i,j,k], pReal) - geomdim/real(2_pInt*res,pReal)
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
call CPFEM_general(2_pInt,coordinates(i,j,k,1:3),math_I3,math_I3,temperature(i,j,k),&
0.0_pReal,ielem,1_pInt,cstress,dsde,pstress,dPdF)
c_current = c_current + dPdF
enddo; enddo; enddo
c0_reference = c_current * wgt ! linear reference material stiffness
c0_66 = math_Mandel3333to66(c0_reference)
call math_invert(6_pInt, c0_66, s0_66, i, errmatinv) ! invert in mandel notation
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
if(errmatinv) call IO_error(error_ID=400_pInt)
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
s0_reference = math_Mandel66to3333(s0_66)
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
! possible restore deformation gradient from saved state
if (restartInc > 1_pInt) then ! using old values from file
if (debugRestart) print '(a,i6,a)' , 'Reading values of increment ',&
restartInc - 1_pInt,' from file'
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad',&
trim(getSolverJobName()),size(defgrad))
read (777,rec=1) defgrad
close (777)
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
defgradold = defgrad
defgradAim = 0.0_pReal
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
defgradAim = defgradAim + defgrad(i,j,k,1:3,1:3) ! calculating old average deformation
enddo; enddo; enddo
defgradAim = defgradAim * wgt
defgradAimOld = defgradAim
endif
!--------------------------------------------------------------------------------------------------
! calculation of discrete angular frequencies, ordered as in FFTW (wrap around) and remove the given highest frequencies
do k = 1_pInt, res(3)
k_s(3) = k - 1_pInt
if(k > res(3)/2_pInt + 1_pInt) k_s(3) = k_s(3) - res(3)
do j = 1_pInt, res(2)
k_s(2) = j - 1_pInt
if(j > res(2)/2_pInt + 1_pInt) k_s(2) = k_s(2) - res(2)
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
do i = 1_pInt, res1_red
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
k_s(1) = i - 1_pInt
xi(1:3,i,j,k) = real(k_s, pReal)/geomdim
enddo; enddo; enddo
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
!--------------------------------------------------------------------------------------------------
! calculate the gamma operator
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
if(memory_efficient) then ! allocate just single fourth order tensor
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
allocate (gamma_hat(1,1,1,3,3,3,3)); gamma_hat = 0.0_pReal
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
else ! precalculation of gamma_hat field
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
allocate (gamma_hat(res1_red ,res(2),res(3),3,3,3,3)); gamma_hat = 0.0_pReal
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res1_red
fixed bug concerning calculation of gamma operator and improved output to screen
2012-02-13 18:08:46 +05:30
! if(k==res(3)/2 .or. k==res(3)/2+2 .or.&
! j==res(2)/2 .or. j==res(2)/2+2 .or.&
! i==res(1)/2 .or. i==res(1)/2+2) then
! gamma_hat(i,j,k,1:3,1:3,1:3,1:3) = s0_reference
! else
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
if(any([i,j,k] /= 1_pInt)) then ! singular point at xi=(0.0,0.0,0.0) i.e. i=j=k=1
forall(l = 1_pInt:3_pInt, m = 1_pInt:3_pInt) &
xiDyad(l,m) = xi(l, i,j,k)*xi(m, i,j,k)
forall(l = 1_pInt:3_pInt, m = 1_pInt:3_pInt) &
temp33_Real(l,m) = sum(c0_reference(l,m,1:3,1:3)*xiDyad)
temp33_Real = math_inv33(temp33_Real)
forall(l=1_pInt:3_pInt, m=1_pInt:3_pInt, n=1_pInt:3_pInt, p=1_pInt:3_pInt)&
gamma_hat(i,j,k, l,m,n,p) = temp33_Real(l,n)*xiDyad(m,p)
endif
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
enddo; enddo; enddo
fixed bug concerning calculation of gamma operator and improved output to screen
2012-02-13 18:08:46 +05:30
gamma_hat(1,1,1, 1:3,1:3,1:3,1:3) = 0.0_pReal ! singular point at xi=(0.0,0.0,0.0) i.e. i=j=k=1
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
endif
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! general initialization of fftw (see manual on fftw.org for more details)
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
if (pReal /= C_DOUBLE .or. pInt /= C_INT) call IO_error(error_ID=808_pInt) ! check for correct precision in C
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
#ifdef _OPENMP
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
if(DAMASK_NumThreadsInt > 0_pInt) then
ierr = fftw_init_threads()
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
if (ierr == 0_pInt) call IO_error(error_ID = 809_pInt)
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
call fftw_plan_with_nthreads(DAMASK_NumThreadsInt)
endif
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
#endif
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
call fftw_set_timelimit(fftw_timelimit) ! set timelimit for plan creation
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! creating plans
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
plan_stress = fftw_plan_many_dft_r2c(3,[ res(3),res(2) ,res(1)],9,& ! dimensions , length in each dimension in reversed order
tensorField_real,[ res(3),res(2) ,res(1)+2_pInt],& ! input data , physical length in each dimension in reversed order
1, res(3)*res(2)*(res(1)+2_pInt),& ! striding , product of physical lenght in the 3 dimensions
tensorField_fourier,[ res(3),res(2) ,res1_red],&
1, res(3)*res(2)* res1_red,fftw_planner_flag)
plan_correction =fftw_plan_many_dft_c2r(3,[ res(3),res(2) ,res(1)],9,&
tensorField_fourier,[ res(3),res(2) ,res1_red],&
1, res(3)*res(2)* res1_red,&
tensorField_real,[ res(3),res(2) ,res(1)+2_pInt],&
1, res(3)*res(2)*(res(1)+2_pInt),fftw_planner_flag)
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! depending on (debug) options, allocate more memory and create additional plans
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
if (.not. simplified_algorithm) then
print*, 'using polarization field based algorithm'
tau = fftw_alloc_complex(int(res1_red*res(2)*res(3)*9_pInt,C_SIZE_T))
call c_f_pointer(tau, tau_real, [ res(1)+2_pInt,res(2),res(3),3,3])
call c_f_pointer(tau, tau_fourier, [ res1_red, res(2),res(3),3,3])
plan_tau = fftw_plan_many_dft_r2c(3,[ res(3),res(2) ,res(1)],9,&
tau_real,[ res(3),res(2) ,res(1)+2_pInt],&
1, res(3)*res(2)*(res(1)+2_pInt),&
tau_fourier,[ res(3),res(2) ,res1_red],&
1, res(3)*res(2)* res1_red,fftw_planner_flag)
endif
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
if (debugDivergence) then
divergence = fftw_alloc_complex(int(res1_red*res(2)*res(3)*3_pInt,C_SIZE_T))
call c_f_pointer(divergence, divergence_real, [ res(1)+2_pInt,res(2),res(3),3])
call c_f_pointer(divergence, divergence_fourier, [ res1_red, res(2),res(3),3])
allocate (divergence_postProc(res(1),res(2),res(3),3)); divergence_postProc= 0.0_pReal
plan_divergence = fftw_plan_many_dft_c2r(3,[ res(3),res(2) ,res(1)],3,&
divergence_fourier,[ res(3),res(2) ,res1_red],&
1, res(3)*res(2)* res1_red,&
divergence_real,[ res(3),res(2) ,res(1)+2_pInt],&
1, res(3)*res(2)*(res(1)+2_pInt),fftw_planner_flag)
endif
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
if (debugFFTW) then
scalarField_realC = fftw_alloc_complex(int(res(1)*res(2)*res(3),C_SIZE_T)) ! do not do an inplace transform
scalarField_fourierC = fftw_alloc_complex(int(res(1)*res(2)*res(3),C_SIZE_T))
call c_f_pointer(scalarField_realC, scalarField_real, [res(1),res(2),res(3)])
call c_f_pointer(scalarField_fourierC, scalarField_fourier, [res(1),res(2),res(3)])
plan_scalarField_forth = fftw_plan_dft_3d(res(3),res(2),res(1),& !reversed order
scalarField_real,scalarField_fourier,-1,fftw_planner_flag)
plan_scalarField_back = fftw_plan_dft_3d(res(3),res(2),res(1),& !reversed order
scalarField_fourier,scalarField_real,+1,fftw_planner_flag)
endif
if (debugGeneral) print '(a)' , 'FFTW initialized'
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
!--------------------------------------------------------------------------------------------------
! do not correct divergence criterion (usefull to kill dimension and resolution dependenc)
correctionFactor = 1.0_pReal
implemented calculation of divergence in real space, polished spectral debugging
2011-11-21 23:42:40 +05:30
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
! write header of output file
open(538,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())&
//'.spectralOut',form='UNFORMATTED',status='REPLACE')
write(538) 'load', trim(getLoadcaseName())
write(538) 'workingdir', trim(getSolverWorkingDirectoryName())
write(538) 'geometry', trim(getSolverJobName())//InputFileExtension
write(538) 'resolution', res
write(538) 'dimension', geomdim
write(538) 'materialpoint_sizeResults', materialpoint_sizeResults
write(538) 'loadcases', N_Loadcases
write(538) 'frequencies', bc(1:N_Loadcases)%outputfrequency ! one entry per loadcase
write(538) 'times', bc(1:N_Loadcases)%time ! one entry per loadcase
write(538) 'logscales', bc(1:N_Loadcases)%logscale
write(538) 'increments', bc(1:N_Loadcases)%incs ! one entry per loadcase
write(538) 'startingIncrement', restartInc - 1_pInt ! start with writing out the previous inc
write(538) 'eoh' ! end of header
write(538) materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:Npoints) ! initial (non-deformed or read-in) results
if (debugGeneral) print '(a)' , 'Header of result file written out'
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
!##################################################################################################
! Loop over loadcases defined in the loadcase file
!##################################################################################################
do loadcase = 1_pInt, N_Loadcases
time0 = time ! loadcase start time
if (bc(loadcase)%followFormerTrajectory .and. &
(restartInc < totalIncsCounter .or. &
restartInc > totalIncsCounter+bc(loadcase)%incs) ) then ! continue to guess along former trajectory where applicable
guessmode = 1.0_pReal
else
guessmode = 0.0_pReal ! change of load case, homogeneous guess for the first inc
endif
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
! arrays for mixed boundary conditions
mask_defgrad = merge(ones,zeroes,bc(loadcase)%maskDeformation)
mask_stress = merge(ones,zeroes,bc(loadcase)%maskStress)
size_reduced = count(bc(loadcase)%maskStressVector)
allocate (c_reduced(size_reduced,size_reduced)); c_reduced = 0.0_pReal
allocate (s_reduced(size_reduced,size_reduced)); s_reduced = 0.0_pReal
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
!##################################################################################################
! loop oper incs defined in input file for current loadcase
!##################################################################################################
do inc = 1_pInt, bc(loadcase)%incs
totalIncsCounter = totalIncsCounter + 1_pInt
if(totalIncsCounter >= restartInc) then ! do calculations (otherwise just forwarding)
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
! forwarding time
timeinc_old = timeinc
if (bc(loadcase)%logscale == 0_pInt) then ! linear scale
timeinc = bc(loadcase)%time/bc(loadcase)%incs ! only valid for given linear time scale. will be overwritten later in case loglinear scale is used
made DAMASK to work with gfortran: -removed to long lines -restructured f2py modules and merged make_DAMASK2Python into setup processing -setup_code.py now sets library path in makefile and asks for compile switches for spectral code -substituted \ in format strings with $ restructured DAMASK_spectral: -more logical output and structure of code -better input for spectral debug parameters
2011-12-06 22:28:17 +05:30
else
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
if (loadcase == 1_pInt) then ! 1st loadcase of logarithmic scale
if (inc == 1_pInt) then ! 1st inc of 1st loadcase of logarithmic scale
timeinc = bc(1)%time*(2.0_pReal**real( 1_pInt-bc(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd
else ! not-1st inc of 1st loadcase of logarithmic scale
timeinc = bc(1)%time*(2.0_pReal**real(inc-1_pInt-bc(1)%incs ,pReal))
endif
else ! not-1st loadcase of logarithmic scale
timeinc = time0 *( (1.0_pReal + bc(loadcase)%time/time0 )**(real( inc,pReal)/&
real(bc(loadcase)%incs ,pReal))&
-(1.0_pReal + bc(loadcase)%time/time0 )**(real( (inc-1_pInt),pReal)/&
real(bc(loadcase)%incs ,pReal)) )
endif
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
endif
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
time = time + timeinc
made DAMASK to work with gfortran: -removed to long lines -restructured f2py modules and merged make_DAMASK2Python into setup processing -setup_code.py now sets library path in makefile and asks for compile switches for spectral code -substituted \ in format strings with $ restructured DAMASK_spectral: -more logical output and structure of code -better input for spectral debug parameters
2011-12-06 22:28:17 +05:30
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
if (bc(loadcase)%velGradApplied) then ! calculate deltaF from given L and current F
deltaF = timeinc * mask_defgrad * math_mul33x33(bc(loadcase)%deformation, defgradAim)
else ! deltaF = fDot *timeinc where applicable
deltaF = timeinc * mask_defgrad * bc(loadcase)%deformation
endif
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! winding forward of deformation aim in loadcase system
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
temp33_Real = defgradAim
defgradAim = defgradAim &
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
+ guessmode * mask_stress * (defgradAim - defgradAimOld)*timeinc/timeinc_old &
+ deltaF
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
defgradAimOld = temp33_Real
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! update local deformation gradient
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
deltaF = math_rotate_backward33(deltaF,bc(loadcase)%rotation)
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
temp33_Real = defgrad(i,j,k,1:3,1:3)
defgrad(i,j,k,1:3,1:3) = defgrad(i,j,k,1:3,1:3) & ! decide if guessing along former trajectory or apply homogeneous addon
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
+ guessmode * (defgrad(i,j,k,1:3,1:3) - defgradold(i,j,k,1:3,1:3))& ! guessing...
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
*timeinc/timeinc_old &
+ (1.0_pReal-guessmode) * deltaF ! if not guessing, use prescribed average deformation where applicable
defgradold(i,j,k,1:3,1:3) = temp33_Real
enddo; enddo; enddo
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! calculate reduced compliance
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
c_prev = math_rotate_forward3333(c_current*wgt,bc(loadcase)%rotation) ! calculate stiffness from former inc
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
if(size_reduced > 0_pInt) then ! calculate compliance in case stress BC is applied
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
c_prev99 = math_Plain3333to99(c_prev)
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
k = 0_pInt ! build reduced stiffness
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
do n = 1_pInt,9_pInt
if(bc(loadcase)%maskStressVector(n)) then
k = k + 1_pInt
j = 0_pInt
do m = 1_pInt,9_pInt
if(bc(loadcase)%maskStressVector(m)) then
merged calcmodes, i.e. equilibrium and fulfilling of stress BC is done in one step, made convergence independent of size and resolution, polishing output in DAMASK_spectral.f90 added function to compute eigenvalues without eigenvectors and function to convert a 3x3 logical to a 9 vector in math.f90 removed obsolete variable in numerics.f90
2011-08-26 19:36:37 +05:30
j = j + 1_pInt
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
c_reduced(k,j) = c_prev99(n,m)
endif; enddo; endif; enddo
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
call math_invert(size_reduced, c_reduced, s_reduced, i, errmatinv) ! invert reduced stiffness
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
if(errmatinv) call IO_error(error_ID=400_pInt)
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
s_prev99 = 0.0_pReal ! build full compliance
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
k = 0_pInt
do n = 1_pInt,9_pInt
if(bc(loadcase)%maskStressVector(n)) then
k = k + 1_pInt
j = 0_pInt
do m = 1_pInt,9_pInt
if(bc(loadcase)%maskStressVector(m)) then
j = j + 1_pInt
s_prev99(n,m) = s_reduced(k,j)
endif; enddo; endif; enddo
s_prev = (math_Plain99to3333(s_prev99))
endif
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! report begin of new increment
doing average correction now in Fourier space, now sure that the constant term is correct. changed order of stress BC calculation/spectral method to avoid average calculation of stress in real space
2012-02-02 02:00:27 +05:30
print '(a)', '##################################################################'
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
print '(A,I5.5,A,es12.5)', 'Increment ', totalIncsCounter, ' Time ',time
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase
CPFEM_mode = 1_pInt ! winding forward
iter = 0_pInt
err_div = 2.0_pReal * err_div_tol ! go into loop
!##################################################################################################
! convergence loop (looping over iterations)
!##################################################################################################
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
do while(iter < itmax .and. &
(err_div > err_div_tol .or. &
err_stress > err_stress_tol))
iter = iter + 1_pInt
made DAMASK to work with gfortran: -removed to long lines -restructured f2py modules and merged make_DAMASK2Python into setup processing -setup_code.py now sets library path in makefile and asks for compile switches for spectral code -substituted \ in format strings with $ restructured DAMASK_spectral: -more logical output and structure of code -better input for spectral debug parameters
2011-12-06 22:28:17 +05:30
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! report begin of new iteration
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
print '(a)', ''
doing average correction now in Fourier space, now sure that the constant term is correct. changed order of stress BC calculation/spectral method to avoid average calculation of stress in real space
2012-02-02 02:00:27 +05:30
print '(a)', '=================================================================='
added compilation_info.f90, to store compilation date,time and compiler info in each file added #include statement at each init() routine
2012-01-31 20:24:49 +05:30
print '(5(a,i6.6))', 'Loadcase ',loadcase,' Increment ',inc,'/',bc(loadcase)%incs,&
' @ Iteration ',iter,'/',itmax
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
do n = 1_pInt,3_pInt; do m = 1_pInt,3_pInt
made DAMASK to work with gfortran: -removed to long lines -restructured f2py modules and merged make_DAMASK2Python into setup processing -setup_code.py now sets library path in makefile and asks for compile switches for spectral code -substituted \ in format strings with $ restructured DAMASK_spectral: -more logical output and structure of code -better input for spectral debug parameters
2011-12-06 22:28:17 +05:30
defgrad_av_lab(m,n) = sum(defgrad(1:res(1),1:res(2),1:res(3),m,n)) * wgt
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
enddo; enddo
doing average correction now in Fourier space, now sure that the constant term is correct. changed order of stress BC calculation/spectral method to avoid average calculation of stress in real space
2012-02-02 02:00:27 +05:30
write (*,'(a,/,3(3(f12.7,1x)/))',advance='no') 'deformation gradient:',&
added compilation_info.f90, to store compilation date,time and compiler info in each file added #include statement at each init() routine
2012-01-31 20:24:49 +05:30
math_transpose33(math_rotate_forward33(defgrad_av_lab,bc(loadcase)%rotation))
made DAMASK to work with gfortran: -removed to long lines -restructured f2py modules and merged make_DAMASK2Python into setup processing -setup_code.py now sets library path in makefile and asks for compile switches for spectral code -substituted \ in format strings with $ restructured DAMASK_spectral: -more logical output and structure of code -better input for spectral debug parameters
2011-12-06 22:28:17 +05:30
print '(a)', ''
doing average correction now in Fourier space, now sure that the constant term is correct. changed order of stress BC calculation/spectral method to avoid average calculation of stress in real space
2012-02-02 02:00:27 +05:30
print '(a)', '... update stress field P(F) .....................................'
made DAMASK to work with gfortran: -removed to long lines -restructured f2py modules and merged make_DAMASK2Python into setup processing -setup_code.py now sets library path in makefile and asks for compile switches for spectral code -substituted \ in format strings with $ restructured DAMASK_spectral: -more logical output and structure of code -better input for spectral debug parameters
2011-12-06 22:28:17 +05:30
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! evaluate constitutive response
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
call deformed_fft(res,geomdim,defgrad_av_lab,1.0_pReal,defgrad,coordinates) ! calculate current coordinates
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
ielem = 0_pInt
implemented calculation of divergence in real space, polished spectral debugging
2011-11-21 23:42:40 +05:30
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
ielem = ielem + 1_pInt
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
call CPFEM_general(3_pInt,& ! collect cycle
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
coordinates(i,j,k,1:3), defgradold(i,j,k,1:3,1:3), defgrad(i,j,k,1:3,1:3),&
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
temperature(i,j,k),timeinc,ielem,1_pInt,&
cstress,dsde, pstress, dPdF)
merged calcmodes, i.e. equilibrium and fulfilling of stress BC is done in one step, made convergence independent of size and resolution, polishing output in DAMASK_spectral.f90 added function to compute eigenvalues without eigenvectors and function to convert a 3x3 logical to a 9 vector in math.f90 removed obsolete variable in numerics.f90
2011-08-26 19:36:37 +05:30
enddo; enddo; enddo
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
tensorField_real = 0.0_pReal ! needed because of the padding for FFTW
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
c_current = 0.0_pReal
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
ielem = 0_pInt
implemented calculation of divergence in real space, polished spectral debugging
2011-11-21 23:42:40 +05:30
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
ielem = ielem + 1_pInt
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
call CPFEM_general(CPFEM_mode,& ! first element in first iteration retains CPFEM_mode 1,
coordinates(i,j,k,1:3),&
defgradold(i,j,k,1:3,1:3), defgrad(i,j,k,1:3,1:3),& ! others get 2 (saves winding forward effort)
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
temperature(i,j,k),timeinc,ielem,1_pInt,&
cstress,dsde, pstress,dPdF)
CPFEM_mode = 2_pInt
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
tensorField_real(i,j,k,1:3,1:3) = pstress
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
c_current = c_current + dPdF
merged calcmodes, i.e. equilibrium and fulfilling of stress BC is done in one step, made convergence independent of size and resolution, polishing output in DAMASK_spectral.f90 added function to compute eigenvalues without eigenvectors and function to convert a 3x3 logical to a 9 vector in math.f90 removed obsolete variable in numerics.f90
2011-08-26 19:36:37 +05:30
enddo; enddo; enddo
made DAMASK to work with gfortran: -removed to long lines -restructured f2py modules and merged make_DAMASK2Python into setup processing -setup_code.py now sets library path in makefile and asks for compile switches for spectral code -substituted \ in format strings with $ restructured DAMASK_spectral: -more logical output and structure of code -better input for spectral debug parameters
2011-12-06 22:28:17 +05:30
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! copy one component of the stress field to to a single FT and check for mismatch
if (debugFFTW) then
row = (mod(totalIncsCounter+iter-2_pInt,9_pInt))/3_pInt + 1_pInt ! go through the elements of the tensors, controlled by totalIncsCounter and iter, starting at 1
column = (mod(totalIncsCounter+iter-2_pInt,3_pInt)) + 1_pInt
scalarField_real(1:res(1),1:res(2),1:res(3)) =& ! store the selected component
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
cmplx(tensorField_real(1:res(1),1:res(2),1:res(3),row,column),0.0_pReal,pReal)
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
endif
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! build polarization field
if (.not. simplified_algorithm) then
tau_real = 0.0_pReal ! padding
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
tau_real(i,j,k,1:3,1:3)&
= tensorField_real(i,j,k,1:3,1:3) &
minor improvement on the still not working long (polarization field based) algorithm
2012-02-02 18:50:09 +05:30
- math_mul3333xx33(c0_reference,defgrad(i,j,k,1:3,1:3))
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
enddo; enddo; enddo
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
call fftw_execute_dft_r2c(plan_tau,tau_real,tau_fourier)
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
endif
!--------------------------------------------------------------------------------------------------
! call function to calculate divergence from math (for post processing) to check results
if (debugDivergence) &
call divergence_fft(res,geomdim,3_pInt,&
tensorField_real(1:res(1),1:res(2),1:res(3),1:3,1:3),divergence_postProc) !padding
doing average correction now in Fourier space, now sure that the constant term is correct. changed order of stress BC calculation/spectral method to avoid average calculation of stress in real space
2012-02-02 02:00:27 +05:30
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
doing average correction now in Fourier space, now sure that the constant term is correct. changed order of stress BC calculation/spectral method to avoid average calculation of stress in real space
2012-02-02 02:00:27 +05:30
! doing the FT because it simplifies calculation of average stress in real space also
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
call fftw_execute_dft_r2c(plan_stress,tensorField_real,tensorField_fourier)
pstress_av_lab = real(tensorField_fourier(1,1,1,1:3,1:3),pReal)*wgt
doing average correction now in Fourier space, now sure that the constant term is correct. changed order of stress BC calculation/spectral method to avoid average calculation of stress in real space
2012-02-02 02:00:27 +05:30
pstress_av = math_rotate_forward33(pstress_av_lab,bc(loadcase)%rotation)
write (*,'(a,/,3(3(f12.7,1x)/))',advance='no') 'Piola-Kirchhoff stress / MPa:',&
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
math_transpose33(pstress_av)/1.e6_pReal
doing average correction now in Fourier space, now sure that the constant term is correct. changed order of stress BC calculation/spectral method to avoid average calculation of stress in real space
2012-02-02 02:00:27 +05:30
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
!--------------------------------------------------------------------------------------------------
! comparing 1 and 3x3 FT results
if (debugFFTW) then
call fftw_execute_dft(plan_scalarField_forth,scalarField_real,scalarField_fourier)
print '(a,i1,1x,i1)', 'checking FT results of compontent ', row, column
changed calculation of gamma_hat back to (working, but theoretically wrong) order
2012-02-13 22:45:02 +05:30
print '(a,2(es11.4,1x))', 'max FT relative error ',&
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
maxval( real((scalarField_fourier(1:res1_red,1:res(2),1:res(3))-&
tensorField_fourier(1:res1_red,1:res(2),1:res(3),row,column))/&
scalarField_fourier(1:res1_red,1:res(2),1:res(3)))), &
maxval(aimag((scalarField_fourier(1:res1_red,1:res(2),1:res(3))-&
tensorField_fourier(1:res1_red,1:res(2),1:res(3),row,column))/&
scalarField_fourier(1:res1_red,1:res(2),1:res(3))))
endif
!--------------------------------------------------------------------------------------------------
! removing highest frequencies
tensorField_fourier ( res1_red,1:res(2) , 1:res(3) ,1:3,1:3)&
= cmplx(0.0_pReal,0.0_pReal,pReal)
tensorField_fourier (1:res1_red, res(2)/2_pInt+1_pInt,1:res(3) ,1:3,1:3)&
= cmplx(0.0_pReal,0.0_pReal,pReal)
if(res(3)>1_pInt) &
tensorField_fourier (1:res1_red,1:res(2), res(3)/2_pInt+1_pInt,1:3,1:3)&
= cmplx(0.0_pReal,0.0_pReal,pReal)
doing average correction now in Fourier space, now sure that the constant term is correct. changed order of stress BC calculation/spectral method to avoid average calculation of stress in real space
2012-02-02 02:00:27 +05:30
!--------------------------------------------------------------------------------------------------
! stress BC handling
if(size_reduced > 0_pInt) then ! calculate stress BC if applied
err_stress = maxval(abs(mask_stress * (pstress_av - bc(loadcase)%stress))) ! maximum deviaton (tensor norm not applicable)
err_stress_tol = maxval(abs(pstress_av)) * err_stress_tolrel ! don't use any tensor norm because the comparison should be coherent
print '(a)', ''
print '(a)', '... correcting deformation gradient to fulfill BCs ...............'
changed calculation of gamma_hat back to (working, but theoretically wrong) order
2012-02-13 22:45:02 +05:30
print '(a,f6.2,a,es11.4,a)', 'error stress = ', err_stress/err_stress_tol, &
fixed bug concerning calculation of gamma operator and improved output to screen
2012-02-13 18:08:46 +05:30
' (',err_stress,' Pa)'
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
defgradAim = defgradAim - math_mul3333xx33(s_prev, ((pstress_av - bc(loadcase)%stress))) ! residual on given stress components
doing average correction now in Fourier space, now sure that the constant term is correct. changed order of stress BC calculation/spectral method to avoid average calculation of stress in real space
2012-02-02 02:00:27 +05:30
if(debugGeneral) write (*,'(a,/,3(3(f12.7,1x)/))',advance='no') 'new deformation aim:',&
math_transpose33(defgradAim)
changed calculation of gamma_hat back to (working, but theoretically wrong) order
2012-02-13 22:45:02 +05:30
print '(a,1x,es11.4)' , 'determinant of new deformation: ', math_det33(defgradAim)
doing average correction now in Fourier space, now sure that the constant term is correct. changed order of stress BC calculation/spectral method to avoid average calculation of stress in real space
2012-02-02 02:00:27 +05:30
else
minor improvement on the still not working long (polarization field based) algorithm
2012-02-02 18:50:09 +05:30
err_stress_tol = +huge(1.0_pReal)
doing average correction now in Fourier space, now sure that the constant term is correct. changed order of stress BC calculation/spectral method to avoid average calculation of stress in real space
2012-02-02 02:00:27 +05:30
endif
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
defgradAim_lab = math_rotate_backward33(defgradAim,bc(loadcase)%rotation) ! boundary conditions from load frame into lab (Fourier) frame
doing average correction now in Fourier space, now sure that the constant term is correct. changed order of stress BC calculation/spectral method to avoid average calculation of stress in real space
2012-02-02 02:00:27 +05:30
!--------------------------------------------------------------------------------------------------
! actual spectral method
print '(a)', ''
print '(a)', '... calculating equilibrium with spectral method .................'
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! calculating RMS divergence criterion in Fourier space
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
pstress_av_L2 = sqrt(maxval (math_eigenvalues33(math_mul33x33(pstress_av_lab,& ! L_2 norm of average stress
math_transpose33(pstress_av_lab)))))
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
err_div_RMS = 0.0_pReal
do k = 1_pInt, res(3); do j = 1_pInt, res(2)
do i = 2_pInt, res1_red -1_pInt ! Has somewhere a conj. complex counterpart. Therefore count it twice.
err_div_RMS = err_div_RMS &
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
+ 2.0_pReal*(sum (real(math_mul33x3_complex(tensorField_fourier(i,j,k,1:3,1:3),& ! (sqrt(real(a)**2 + aimag(a)**2))**2 = real(a)**2 + aimag(a)**2. do not take square root and square again
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
xi(1:3,i,j,k))*two_pi_img)**2.0_pReal)& ! --> sum squared L_2 norm of vector
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
+sum(aimag(math_mul33x3_complex(tensorField_fourier(i,j,k,1:3,1:3),&
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
xi(1:3,i,j,k))*two_pi_img)**2.0_pReal))
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
enddo
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
err_div_RMS = err_div_RMS & ! Those two layers (DC and Nyquist) do not have a conjugate complex counterpart
+ sum(real(math_mul33x3_complex(tensorField_fourier(1 ,j,k,1:3,1:3),&
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
xi(1:3,1 ,j,k))*two_pi_img)**2.0_pReal)&
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
+ sum(aimag(math_mul33x3_complex(tensorField_fourier(1 ,j,k,1:3,1:3),&
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
xi(1:3,1 ,j,k))*two_pi_img)**2.0_pReal)&
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
+ sum(real(math_mul33x3_complex(tensorField_fourier(res1_red,j,k,1:3,1:3),&
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
xi(1:3,res1_red,j,k))*two_pi_img)**2.0_pReal)&
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
+ sum(aimag(math_mul33x3_complex(tensorField_fourier(res1_red,j,k,1:3,1:3),&
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
xi(1:3,res1_red,j,k))*two_pi_img)**2.0_pReal)
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
enddo; enddo
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
err_div_RMS = sqrt(err_div_RMS)*wgt ! RMS in real space calculated with Parsevals theorem from Fourier space
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
if(err_div_RMS/pstress_av_L2*sqrt(wgt) * correctionFactor>err_div&
.and.iter >2_pInt&
.and.err_stress < err_stress_tol) then
print*, 'Increasing divergence, stopping iterations'
iter = itmax
endif
err_div = err_div_RMS/pstress_av_L2*sqrt(wgt) * correctionFactor ! criterion to stop iterations
made DAMASK to work with gfortran: -removed to long lines -restructured f2py modules and merged make_DAMASK2Python into setup processing -setup_code.py now sets library path in makefile and asks for compile switches for spectral code -substituted \ in format strings with $ restructured DAMASK_spectral: -more logical output and structure of code -better input for spectral debug parameters
2011-12-06 22:28:17 +05:30
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! calculate additional divergence criteria and report
if(debugDivergence) then ! calculate divergence again
err_div_max = 0.0_pReal
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res1_red
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
temp3_Complex = math_mul33x3_complex(tensorField_fourier(i,j,k,1:3,1:3),&
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
xi(1:3,i,j,k))*two_pi_img
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
err_div_max = max(err_div_max,sqrt(sum(abs(temp3_Complex)**2.0_pReal)))
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
divergence_fourier(i,j,k,1:3) = temp3_Complex ! need divergence NOT squared
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
enddo; enddo; enddo
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
call fftw_execute_dft_c2r(plan_divergence,divergence_fourier,divergence_real)
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
divergence_real = divergence_real*wgt
err_real_div_RMS = 0.0_pReal
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
err_real_div_max = 0.0_pReal
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
max_div_error = 0.0_pReal
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
max_div_error= max(max_div_error,maxval((divergence_real(i,j,k,1:3)&
-divergence_postProc(i,j,k,1:3))/divergence_real(i,j,k,1:3)))
err_real_div_RMS = err_real_div_RMS + sum(divergence_real(i,j,k,1:3)**2.0_pReal) ! avg of L_2 norm of div(stress) in real space
err_real_div_max = max(err_real_div_max, sqrt(sum(divergence_real(i,j,k,1:3)**2.0_pReal))) ! maximum of L two norm of div(stress) in real space
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
enddo; enddo; enddo
corrected weighting of difference divergence measures, added some additional output and introduced exit code 0 for successful termination.
2012-01-31 01:55:04 +05:30
err_real_div_RMS = sqrt(wgt*err_real_div_RMS) ! RMS in real space
err_div_max = err_div_max*sqrt(wgt)
changed calculation of gamma_hat back to (working, but theoretically wrong) order
2012-02-13 22:45:02 +05:30
print '(a,es11.4)', 'error divergence FT RMS = ',err_div_RMS
print '(a,es11.4)', 'error divergence FT max = ',err_div_max
print '(a,es11.4)', 'error divergence Real RMS = ',err_real_div_RMS
print '(a,es11.4)', 'error divergence Real max = ',err_real_div_max
print '(a,es11.4)', 'max deviat. from postProc = ',max_div_error
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
endif
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
print '(a,f6.2,a,es11.4,3a)','error divergence = ', err_div/err_div_tol, &
' (',err_div_RMS,' N/m',char(179),')'
corrected weighting of difference divergence measures, added some additional output and introduced exit code 0 for successful termination.
2012-01-31 01:55:04 +05:30
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! divergence is calculated from FT(stress), depending on algorithm use field for spectral method
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
if (.not. simplified_algorithm) tensorField_fourier = tau_fourier
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! to the actual spectral method calculation (mechanical equilibrium)
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
if(memory_efficient) then ! memory saving version, on-the-fly calculation of gamma_hat
fixed bug concerning calculation of gamma operator and improved output to screen
2012-02-13 18:08:46 +05:30
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
do k = 1_pInt, res(3); do j = 1_pInt, res(2) ;do i = 1_pInt, res1_red
fixed bug concerning calculation of gamma operator and improved output to screen
2012-02-13 18:08:46 +05:30
! if(k==res(3)/2 .or. k==res(3)/2+2 .or.&
! j==res(2)/2 .or. j==res(2)/2+2 .or.&
! i==res(1)/2 .or. i==res(1)/2+2) then
! forall( m = 1_pInt:3_pInt, n = 1_pInt:3_pInt)&
! temp33_Complex(m,n) = sum(s0_reference(m,n, 1:3,1:3)* tensorField_fourier(i,j,k,1:3,1:3))
! else
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
if(any([i,j,k] /= 1_pInt)) then ! singular point at xi=(0.0,0.0,0.0) i.e. i=j=k=1
forall(l = 1_pInt:3_pInt, m = 1_pInt:3_pInt) &
xiDyad(l,m) = xi(l, i,j,k)*xi(m, i,j,k)
forall(l = 1_pInt:3_pInt, m = 1_pInt:3_pInt) &
temp33_Real(l,m) = sum(c0_reference(l,m,1:3,1:3)*xiDyad)
temp33_Real = math_inv33(temp33_Real)
forall(l=1_pInt:3_pInt, m=1_pInt:3_pInt, n=1_pInt:3_pInt, p=1_pInt:3_pInt)&
gamma_hat(1,1,1, l,m,n,p) = temp33_Real(l,n)*xiDyad(m,p)
forall(l = 1_pInt:3_pInt, m = 1_pInt:3_pInt) &
temp33_Complex(l,m) = sum(gamma_hat(1,1,1, l,m, 1:3,1:3) *&
tensorField_fourier(i,j,k,1:3,1:3))
tensorField_fourier(i,j,k,1:3,1:3) = temp33_Complex
endif
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
enddo; enddo; enddo
fixed bug concerning calculation of gamma operator and improved output to screen
2012-02-13 18:08:46 +05:30
polishing: removed variable names like 'unit' and 'data' that are keywords of fortran and ensured that integer and real precision matches independent of machine standard. removed cut_off parameter for damask_spectral removed outpot of derived divergence measures and added RMS output in brackets added comments and options to the makefile
2012-02-16 00:28:38 +05:30
else ! use precalculated gamma-operator
fixed bug concerning calculation of gamma operator and improved output to screen
2012-02-13 18:08:46 +05:30
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt,res1_red
forall( m = 1_pInt:3_pInt, n = 1_pInt:3_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
temp33_Complex(m,n) = sum(gamma_hat(i,j,k, m,n, 1:3,1:3) *&
tensorField_fourier(i,j,k,1:3,1:3))
fixed bug concerning calculation of gamma operator and improved output to screen
2012-02-13 18:08:46 +05:30
tensorField_fourier(i,j,k, 1:3,1:3) = temp33_Complex
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
enddo; enddo; enddo
fixed bug concerning calculation of gamma operator and improved output to screen
2012-02-13 18:08:46 +05:30
endif
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
if (simplified_algorithm) then ! do not use the polarization field based algorithm
tensorField_fourier(1,1,1,1:3,1:3) = cmplx((defgrad_av_lab - defgradAim_lab) & ! assign (negative) average deformation gradient change to zero frequency (real part)
* real(Npoints,pReal),0.0_pReal,pReal) ! singular point at xi=(0.0,0.0,0.0) i.e. i=j=k=1
fixed bug concerning calculation of gamma operator and improved output to screen
2012-02-13 18:08:46 +05:30
else
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
tensorField_fourier(1,1,1,1:3,1:3) = cmplx(defgradAim_lab*real(Npoints,pReal),& ! assign deformation aim to zero frequency (real part)
0.0_pReal,pReal)
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
endif
made DAMASK to work with gfortran: -removed to long lines -restructured f2py modules and merged make_DAMASK2Python into setup processing -setup_code.py now sets library path in makefile and asks for compile switches for spectral code -substituted \ in format strings with $ restructured DAMASK_spectral: -more logical output and structure of code -better input for spectral debug parameters
2011-12-06 22:28:17 +05:30
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
!--------------------------------------------------------------------------------------------------
! comparing 1 and 3x3 inverse FT results
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
if (debugFFTW) then
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res1_red
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
scalarField_fourier(i,j,k) = tensorField_fourier(i,j,k,row,column)
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
enddo; enddo; enddo
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
do i = 0_pInt, res(1)/2_pInt-2_pInt !unpack fft data for conj complex symmetric part
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
m = 1_pInt
do k = 1_pInt, res(3)
n = 1_pInt
do j = 1_pInt, res(2)
scalarField_fourier(res(1)-i,j,k) = conjg(scalarField_fourier(2+i,n,m))
if(n == 1_pInt) n = res(2) + 1_pInt
n = n-1_pInt
enddo
if(m == 1_pInt) m = res(3) + 1_pInt
m = m -1_pInt
enddo; enddo
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
endif
!--------------------------------------------------------------------------------------------------
! doing the inverse FT
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
call fftw_execute_dft_c2r(plan_correction,tensorField_fourier,tensorField_real) ! back transform of fluct deformation gradient
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! comparing 1 and 3x3 inverse FT results
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
if (debugFFTW) then
made code standard conform to Fortran 2008 (ignoring warning concerning comments beyond character 132). Basically, changing "x" format specifier to "Nx" ("1x") plus removing $ format specifier added compiler switches for gfortran and ifort to check for standard conformity old gnu compilers <4.4 are not longer supported because they don't provide the c binding for fftw
2012-02-01 00:48:55 +05:30
print '(a,i1,1x,i1)', 'checking iFT results of compontent ', row, column
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
call fftw_execute_dft(plan_scalarField_back,scalarField_fourier,scalarField_real)
changed calculation of gamma_hat back to (working, but theoretically wrong) order
2012-02-13 22:45:02 +05:30
print '(a,es11.4)', 'max iFT relative error ',&
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
maxval((real(scalarField_real(1:res(1),1:res(2),1:res(3)))-&
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
tensorField_real(1:res(1),1:res(2),1:res(3),row,column))/&
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
real(scalarField_real(1:res(1),1:res(2),1:res(3))))
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
endif
!--------------------------------------------------------------------------------------------------
! calculate some additional output
if(debugGeneral) then
maxCorrectionSkew = 0.0_pReal
maxCorrectionSym = 0.0_pReal
temp33_Real = 0.0_pReal
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
maxCorrectionSym = max(maxCorrectionSym,&
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
maxval(math_symmetric33(tensorField_real(i,j,k,1:3,1:3))))
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
maxCorrectionSkew = max(maxCorrectionSkew,&
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
maxval(math_skew33(tensorField_real(i,j,k,1:3,1:3))))
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
temp33_Real = temp33_Real + tensorField_real(i,j,k,1:3,1:3)
enddo; enddo; enddo
changed calculation of gamma_hat back to (working, but theoretically wrong) order
2012-02-13 22:45:02 +05:30
print '(a,1x,es11.4)' , 'max symmetrix correction of deformation:',&
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
maxCorrectionSym*wgt
changed calculation of gamma_hat back to (working, but theoretically wrong) order
2012-02-13 22:45:02 +05:30
print '(a,1x,es11.4)' , 'max skew correction of deformation:',&
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
maxCorrectionSkew*wgt
changed calculation of gamma_hat back to (working, but theoretically wrong) order
2012-02-13 22:45:02 +05:30
print '(a,1x,es11.4)' , 'max sym/skew of avg correction: ',&
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
maxval(math_symmetric33(temp33_real))/&
maxval(math_skew33(temp33_real))
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
endif
made DAMASK to work with gfortran: -removed to long lines -restructured f2py modules and merged make_DAMASK2Python into setup processing -setup_code.py now sets library path in makefile and asks for compile switches for spectral code -substituted \ in format strings with $ restructured DAMASK_spectral: -more logical output and structure of code -better input for spectral debug parameters
2011-12-06 22:28:17 +05:30
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! updated deformation gradient
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
defgrad = defgrad - tensorField_real(1:res(1),1:res(2),1:res(3),1:3,1:3)*wgt ! F(x)^(n+1) = F(x)^(n) + correction; *wgt: correcting for missing normalization
made DAMASK to work with gfortran: -removed to long lines -restructured f2py modules and merged make_DAMASK2Python into setup processing -setup_code.py now sets library path in makefile and asks for compile switches for spectral code -substituted \ in format strings with $ restructured DAMASK_spectral: -more logical output and structure of code -better input for spectral debug parameters
2011-12-06 22:28:17 +05:30
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! updated deformation gradient in case of fluctuation field algorithm
if (.not.simplified_algorithm) then
defgrad = tensorField_real(1:res(1),1:res(2),1:res(3),1:3,1:3) * wgt
endif
corrected weighting of difference divergence measures, added some additional output and introduced exit code 0 for successful termination.
2012-01-31 01:55:04 +05:30
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
!--------------------------------------------------------------------------------------------------
! calculate bounds of det(F) and report
doing average correction now in Fourier space, now sure that the constant term is correct. changed order of stress BC calculation/spectral method to avoid average calculation of stress in real space
2012-02-02 02:00:27 +05:30
if(debugGeneral) then
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
defgradDetMax = -huge(1.0_pReal)
defgradDetMin = +huge(1.0_pReal)
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
defgradDet = math_det33(defgrad(i,j,k,1:3,1:3))
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
defgradDetMax = max(defgradDetMax,defgradDet)
defgradDetMin = min(defgradDetMin,defgradDet)
enddo; enddo; enddo
made DAMASK to work with gfortran: -removed to long lines -restructured f2py modules and merged make_DAMASK2Python into setup processing -setup_code.py now sets library path in makefile and asks for compile switches for spectral code -substituted \ in format strings with $ restructured DAMASK_spectral: -more logical output and structure of code -better input for spectral debug parameters
2011-12-06 22:28:17 +05:30
changed calculation of gamma_hat back to (working, but theoretically wrong) order
2012-02-13 22:45:02 +05:30
print '(a,1x,es11.4)' , 'max determinant of deformation:', defgradDetMax
print '(a,1x,es11.4)' , 'min determinant of deformation:', defgradDetMin
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
endif
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
enddo ! end looping when convergency is achieved
added kdtree2 source and changed makefile to compile it. started to implement the nearest neighbor search for regridding corrected calculation of divergence in real space. corrected handling of maximum stress deviation (removed mask)
2012-01-04 23:13:26 +05:30
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
print '(a)', ''
doing average correction now in Fourier space, now sure that the constant term is correct. changed order of stress BC calculation/spectral method to avoid average calculation of stress in real space
2012-02-02 02:00:27 +05:30
print '(a)', '=================================================================='
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
if(err_div > err_div_tol .or. err_stress > err_stress_tol) then
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
print '(A,I5.5,A)', 'increment ', totalIncsCounter, ' NOT converged'
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
notConvergedCounter = notConvergedCounter + 1_pInt
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
else
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
convergedCounter = convergedCounter + 1_pInt
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
print '(A,I5.5,A)', 'increment ', totalIncsCounter, ' converged'
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
endif
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
if (mod(totalIncsCounter -1_pInt,bc(loadcase)%outputfrequency) == 0_pInt) then ! at output frequency
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
print '(a)', ''
doing average correction now in Fourier space, now sure that the constant term is correct. changed order of stress BC calculation/spectral method to avoid average calculation of stress in real space
2012-02-02 02:00:27 +05:30
print '(a)', '... writing results to file ......................................'
made code standard conform to Fortran 2008 (ignoring warning concerning comments beyond character 132). Basically, changing "x" format specifier to "Nx" ("1x") plus removing $ format specifier added compiler switches for gfortran and ifort to check for standard conformity old gnu compilers <4.4 are not longer supported because they don't provide the c binding for fftw
2012-02-01 00:48:55 +05:30
write(538) materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:Npoints) ! write result to file
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
endif
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
if( bc(loadcase)%restartFrequency > 0_pInt .and. &
mod(inc - 1_pInt,bc(loadcase)%restartFrequency) == 0_pInt) then ! at frequency of writing restart information set restart parameter for FEsolving (first call to CPFEM_general will write ToDo: true?)
restartWrite = .true.
print '(A)', 'writing converged results for restart'
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
call IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(defgrad)) ! writing deformation gradient field to file
write (777,rec=1) defgrad
close (777)
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
restartInc=totalIncsCounter
endif
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
if (update_gamma) then
print*, 'update c0_reference '
c0_reference = c_current*wgt
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
! s0_reference = math_Plain99to3333(s0_99)
!c0_99 = math_Plain3333to99(c0_reference)
! call math_invert(9_pInt, s0_99, c0_99, i, errmatinv) ! invert reduced stiffness
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
! if(errmatinv) call IO_error(error_ID=400_pInt)
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
! print*, (c0_reference - math_Plain99to3333(c0_99))/c0_reference
! pause
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
endif
added kdtree2 source and changed makefile to compile it. started to implement the nearest neighbor search for regridding corrected calculation of divergence in real space. corrected handling of maximum stress deviation (removed mask)
2012-01-04 23:13:26 +05:30
made DAMASK to work with gfortran: -removed to long lines -restructured f2py modules and merged make_DAMASK2Python into setup processing -setup_code.py now sets library path in makefile and asks for compile switches for spectral code -substituted \ in format strings with $ restructured DAMASK_spectral: -more logical output and structure of code -better input for spectral debug parameters
2011-12-06 22:28:17 +05:30
endif ! end calculation/forwarding
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
enddo ! end looping over incs in current loadcase
merged calcmodes, i.e. equilibrium and fulfilling of stress BC is done in one step, made convergence independent of size and resolution, polishing output in DAMASK_spectral.f90 added function to compute eigenvalues without eigenvectors and function to convert a 3x3 logical to a 9 vector in math.f90 removed obsolete variable in numerics.f90
2011-08-26 19:36:37 +05:30
deallocate(c_reduced)
deallocate(s_reduced)
enddo ! end looping over loadcases
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
print '(a)', ''
doing average correction now in Fourier space, now sure that the constant term is correct. changed order of stress BC calculation/spectral method to avoid average calculation of stress in real space
2012-02-02 02:00:27 +05:30
print '(a)', '##################################################################'
final merge with edits dropped intermediately from rev 1190.
2012-01-16 20:40:16 +05:30
print '(i6.6,a,i6.6,a)', notConvergedCounter, ' out of ', &
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing makefile now calls compiler with lot of warning flags
2012-02-10 17:29:59 +05:30
notConvergedCounter + convergedCounter, ' increments did not converge!'
changed makefile: material subroutines are now compiled using openmp, enabled linux threads for fftw3 (also did some slight changes to enable that in the fortran source code) renamed mpie_spectral2.f90 to mpie_spectral2d.f90 (testing file, not properly working at the moment) changed file extension and variable names in mpie_spectral.f90 and mpie_spectral_interface.f90 from "mesh" to "geom". Removed direct output from mpie_spectral.f90, all output is now base on materialpoint_results(:,1,:)
2011-01-07 18:26:45 +05:30
close(538)
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
call fftw_destroy_plan(plan_stress); call fftw_destroy_plan(plan_correction)
if (debugDivergence) call fftw_destroy_plan(plan_divergence)
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
if (debugFFTW) then
added and restructured comments debugGeneral = .true. now enables the additional output restructured the debug options started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 19:57:26 +05:30
call fftw_destroy_plan(plan_scalarField_forth)
call fftw_destroy_plan(plan_scalarField_back)
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
endif
corrected weighting of difference divergence measures, added some additional output and introduced exit code 0 for successful termination.
2012-01-31 01:55:04 +05:30
stop 0
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
end program DAMASK_spectral
mpie_spectral now can read loadcase data adapted error codes
2010-06-10 20:21:10 +05:30
!********************************************************************
! quit subroutine to satisfy IO_error
!
!********************************************************************
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
subroutine quit(stop_id)
first shot at mpie_spectral wrapper
2010-06-08 15:38:15 +05:30
use prec
implicit none
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
integer(pInt), intent(in) :: stop_id
print*, stop_id
stop 'abnormal termination of DAMASK_spectral'
first shot at mpie_spectral wrapper
2010-06-08 15:38:15 +05:30
ip coordinates are now updated every cycle; this is needed for the nonlocal internal stress fields * Marc: node displacements are added to initial node coordinates (mesh_node0) to get current node positions (mesh_node), then ip coordinates are deduced * Abaqus: ip coordinates are directly updated, no update of node coordinates! * Spectral: for the moment no update of either ip or node coordinates! passing only dummy values with initial ip coordinates
2011-05-24 21:27:59 +05:30
end subroutine