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DAMASK_EICMD/code/DAMASK_spectral.f90

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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
! Copyright 2011 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 ID functionality and correct line endings
2010-06-08 15:40:57 +05:30
!* $Id$
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
!
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
mpie_spectral now can read loadcase data adapted error codes
2010-06-10 20:21:10 +05:30
!********************************************************************
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
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
use prec, only: pInt, pReal, DAMASK_NaN
mpie_spectral now can read loadcase data adapted error codes
2010-06-10 20:21:10 +05:30
use IO
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
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
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
use mesh, only: mesh_ipCenterOfGravity
use CPFEM, only: CPFEM_general, CPFEM_initAll
use FEsolving, only: restartWrite, restartReadInc
use numerics, only: err_div_tol, err_stress_tolrel , rotation_tol,&
itmax, memory_efficient, DAMASK_NumThreadsInt, divergence_correction, &
fftw_planner_flag, fftw_timelimit
added raw output, gmsh output is still included
2010-10-27 22:45:49 +05:30
use homogenization, only: materialpoint_sizeResults, materialpoint_results
implemented calculation of divergence in real space, polished spectral debugging
2011-11-21 23:42:40 +05:30
!$ use OMP_LIB ! the openMP function library
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
first shot at mpie_spectral wrapper
2010-06-08 15:38:15 +05:30
implicit none
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 to read from loadcase and geom file
implemented calculation of divergence in real space, polished spectral debugging
2011-11-21 23:42:40 +05:30
real(pReal), dimension(9) :: temp_valueVector ! stores information temporarily from loadcase file
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
logical, dimension(9) :: temp_maskVector
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
integer(pInt), parameter :: 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
(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
fixed bugs (sorry...)
2012-01-12 20:38:44 +05:30
maxNchunksGeom = 7_pInt, & ! 4 identifiers, 3 values
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
myUnit = 234_pInt
integer(pInt), dimension (1_pInt + maxNchunksLoadcase*2_pInt) :: positions ! this is longer than needed for geometry parsing
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
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
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
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
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) :: 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
temperature = 300_pReal ! isothermal starting conditions
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
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
real(pReal), dimension(3) :: geomdimension = 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
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) :: res1_red
added first version of spectral method, changed corrected functions to get correct path to files
2010-07-01 20:50:06 +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.
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
real(pReal), dimension(3,3) :: pstress, pstress_av, defgrad_av_lab, &
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
defgradAim = math_I3, defgradAimOld= math_I3, defgradAimCorr= math_I3,&
mask_stress, mask_defgrad, fDot, &
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
pstress_av_lab, defgradAim_lab ! quantities rotated to other coordinate system
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), dimension(3,3,3,3) :: dPdF, c0_reference, c_current = 0.0_pReal, s_prev, c_prev ! stiffness and compliance
real(pReal), dimension(6) :: cstress ! cauchy stress
real(pReal), dimension(6,6) :: dsde ! small strain stiffness
real(pReal), dimension(9,9) :: s_prev99, c_prev99 ! compliance and stiffness in matrix notation
real(pReal), dimension(:,:), allocatable :: s_reduced, c_reduced ! reduced compliance and stiffness (only for stress BC)
integer(pInt) :: size_reduced = 0.0_pReal ! number of stress BCs
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
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(:,:,:,:,:), allocatable :: defgrad, defgradold
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(:,:,:,:), allocatable :: coordinates
real(pReal), dimension(:,:,:), allocatable :: temperature
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
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
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
real(pReal), dimension(3,3) :: xiDyad ! product of wave vectors
real(pReal), dimension(:,:,:,:,:,:,:), allocatable :: gamma_hat ! gamma operator (field) for spectral method
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
real(pReal), dimension(:,:,:,:), allocatable :: xi ! wave vector field for divergence and for gamma operator
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
integer(pInt), dimension(3) :: k_s
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
type(C_PTR) :: data_fftw, fftw_stress, fftw_fluctuation
real(pReal), dimension(:,:,:,:,:), pointer :: data_real
complex(pReal), dimension(:,:,:,:,:), pointer :: data_complex
!debugging (proof of correct transformation)
type(C_PTR) :: fftw_debug, fftw_debug_forward, fftw_debug_backward
real(pReal), dimension(:,:,:), pointer :: fftw_debug_real
complex(pReal), dimension(:,:,:), pointer :: fftw_debug_complex
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
! variables for regriding
real(pReal), dimension(:,:,:,:) ,allocatable :: deformed_small
real(pReal), dimension(:,:) ,allocatable :: deformed_large
real(pReal), dimension(:,:,:,:) ,allocatable :: new_coordinates
type(kdtree2), pointer :: tree
real(pReal), dimension(3) :: shift
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.
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
real(pReal) :: time = 0.0_pReal, time0 = 0.0_pReal, timeinc ! elapsed time, begin of interval, time interval
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
real(pReal) :: guessmode, err_div, err_stress, err_stress_tol, p_hat_avg
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
complex(pReal) :: err_div_avg_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), parameter :: img = cmplx(0.0_pReal,1.0_pReal)
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, &
ierr, notConvergedCounter = 0_pInt, totalIncsCounter = 0_pInt
logical :: errmatinv
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
real(pReal) :: defgradDet, defgradDetMax, defgradDetMin
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) :: correctionFactor
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
integer(pInt), dimension(3) :: cutting_freq
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
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
! --- debugging variables
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
type(C_PTR) :: divergence
real(pReal), dimension(:,:,:,:), pointer :: divergence_real
complex(pReal), dimension(:,:,:,:), pointer :: divergence_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
real(pReal) :: p_real_avg, err_div_max, err_real_div_avg, err_real_div_max
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 :: debugGeneral, debugDivergence, debugRestart, debugFFTW
type(C_PTR) :: fftw_divergence ! plan for fftw backward transform of divergence
integer(pInt) :: row, column
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
! --- initializing model size independed parameters
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
!$ call omp_set_num_threads(DAMASK_NumThreadsInt) ! set number of threads for parallel execution set by DAMASK_NUM_THREADS
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
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)', ' $Id$'
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)', ''
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)', ''
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
! Reading the loadcase file and allocate variables for loadcases
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()
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. IO_open_file(myUnit,path)) call IO_error(error_ID = 30_pInt,ext_msg = trim(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
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
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)
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, 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
changed input of loadcase. Now fdot (time derivative) can be used instead of velocity gradient. Velocity gradient needs to have each line fully or not at all defined, as for other loadcases the stress BCs are not known in advance. Also added the possibility to keep guessing along trajectory of former loadcase. changed back to use the compliance of initial linear material behavior. added counter of non-converged steps renamed compiler flags in makefile
2011-07-13 22:03:12 +05:30
case('fdot')
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
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
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
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
if ((N_l + N_Fdot /= N_n) .or. (N_n /= N_t)) & ! sanity check
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
call IO_error(error_ID=37_pInt,ext_msg = trim(path)) ! error message for incomplete loadcase
allocate (bc(N_Loadcases))
mpie_spectral now can read loadcase data adapted error codes
2010-06-10 20:21:10 +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
! --- reading the loadcase 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
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 (IO_isBlank(line)) cycle ! skip empty lines
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)))
implemented calculation of divergence in real space, polished spectral debugging
2011-11-21 23:42:40 +05:30
case('fdot','l','velocitygrad','velgrad','velocitygradient') ! assign values for the deformation BC matrix
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)%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: 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)%maskDeformation = transpose(reshape(temp_maskVector,(/3,3/)))
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
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) 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
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 (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: 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)%maskStress = transpose(reshape(bc(loadcase)%maskStressVector,(/3,3/)))
bc(loadcase)%stress = math_plain9to33(temp_valueVector)
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)
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
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)
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)
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
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
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)
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
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')
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)%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')
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
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
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
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
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: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))
case('rotation','rot') ! assign values for the rotation of loadcase matrix
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
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
! --- read header of geom file to get the information needed before the 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
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 (.not. IO_open_file(myUnit,trim(path)//InputFileExtension))&
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
call IO_error(error_ID=101_pInt,ext_msg = 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
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
call IO_error(error_ID=42_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')
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
geomdimension(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')
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
geomdimension(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')
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
geomdimension(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)
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.(gotDimension .and. gotHomogenization .and. gotResolution)) call IO_error(error_ID = 45_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
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.&
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
(mod(res(3),2_pInt)/=0_pInt .and. res(3)/= 1_pInt)) call IO_error(error_ID = 103_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
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
! --- initialization of CPFEM_general (= constitutive law)
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
call CPFEM_initAll(bc(1)%temperature,1_pInt,1_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
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
! --- debugging parameters
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
debugGeneral = iand(debug_spectral,debug_spectralGeneral) > 0_pInt
debugDivergence = iand(debug_spectral,debug_spectralDivergence) > 0_pInt
debugRestart = iand(debug_spectral,debug_spectralRestart) > 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
debugFFTW = iand(debug_spectral,debug_spectralFFTW) > 0_pInt
implemented calculation of divergence in real space, polished spectral debugging
2011-11-21 23:42:40 +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
! --- output of geometry
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)', '============================================================='
implemented calculation of divergence in real space, polished spectral debugging
2011-11-21 23:42:40 +05:30
print '(a,i12,i12,i12)','resolution a b c:', res
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,f12.5,f12.5,f12.5)','dimension x y z:', geomdimension
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())
final merge with edits dropped intermediately from rev 1190.
2012-01-16 20:40:16 +05:30
bc(1)%followFormerTrajectory = .false. ! cannot guess along trajectory for first inc of first loadcase
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +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
! --- consistency checks and output of loadcase
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. &
any(bc(loadcase)%maskDeformation(j,1:3) .eqv. .false.)) errorID = 32_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 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 '(3(3(f12.6,x)/)$)', merge(math_transpose3x3(bc(loadcase)%deformation),&
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
reshape(spread(DAMASK_NaN,1,9),(/3,3/)),transpose(bc(loadcase)%maskDeformation))
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,/,3(3(f12.6,x)/)$)','stress / GPa:',1e-9*merge(math_transpose3x3(bc(loadcase)%stress),&
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
reshape(spread(DAMASK_NaN,1,9),(/3,3/)),&
transpose(bc(loadcase)%maskStress))
if (any(bc(loadcase)%rotation /= math_I3)) &
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,3(3(f12.6,x)/)$)','rotation of loadframe:',math_transpose3x3(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
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)%maskStress .eqv. bc(loadcase)%maskDeformation)) errorID = 31 ! 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. &
reshape((/.false.,.true.,.true.,.true.,.false.,.true.,.true.,.true.,.false./),(/3,3/)))) &
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
errorID = 38_pInt ! no rotation is allowed by stress BC
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(abs(math_mul33x33(bc(loadcase)%rotation,math_transpose3x3(bc(loadcase)%rotation))-math_I3)&
> reshape(spread(rotation_tol,1,9),(/3,3/)))&
.or. abs(math_det3x3(bc(loadcase)%rotation)) > 1.0_pReal + rotation_tol) &
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
errorID = 46_pInt ! given rotation matrix contains strain
final merge with edits dropped intermediately from rev 1190.
2012-01-16 20:40:16 +05:30
if (bc(loadcase)%time < 0.0_pReal) errorID = 34_pInt ! negative time increment
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 (bc(loadcase)%incs < 1_pInt) errorID = 35_pInt ! non-positive incs count
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
if (bc(loadcase)%outputfrequency < 1_pInt) errorID = 36_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 some switches and variables to the makefile to make it more flexible DAMASK_spectral.f90 is a "debug version" with a number of different criteria to determine divergence. will be removed later on.
2011-07-25 22:00:21 +05:30
! Initialization of fftw (see manual on fftw.org for more details)
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 (pReal /= C_DOUBLE .or. pInt /= C_INT) call IO_error(error_ID=102)
first try of implementing a rotation of the loadcase coordinate system. Seems to work so far for one loadcase and homogeneous materials.
2011-10-24 23:56:34 +05:30
#ifdef _OPENMP
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(DAMASK_NumThreadsInt > 0_pInt) 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
ierr = fftw_init_threads()
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 (ierr == 0_pInt) call IO_error(error_ID = 104_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
call fftw_plan_with_nthreads(DAMASK_NumThreadsInt)
endif
first try of implementing a rotation of the loadcase coordinate system. Seems to work so far for one loadcase and homogeneous materials.
2011-10-24 23:56:34 +05:30
#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
call fftw_set_timelimit(fftw_timelimit)
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
!*************************************************************
corrected number of incs reported in spectralOut-file inc 0 contains undeformed results plus lots of typographic polishing
2011-04-06 15:28:17 +05:30
! Loop over loadcases defined in the loadcase file
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
do loadcase = 1_pInt, N_Loadcases
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
!*************************************************************
changed input of loadcase. Now fdot (time derivative) can be used instead of velocity gradient. Velocity gradient needs to have each line fully or not at all defined, as for other loadcases the stress BCs are not known in advance. Also added the possibility to keep guessing along trajectory of former loadcase. changed back to use the compliance of initial linear material behavior. added counter of non-converged steps renamed compiler flags in makefile
2011-07-13 22:03:12 +05:30
time0 = time ! loadcase start time
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)%followFormerTrajectory) then ! continue to guess along former trajectory where applicable
changed input of loadcase. Now fdot (time derivative) can be used instead of velocity gradient. Velocity gradient needs to have each line fully or not at all defined, as for other loadcases the stress BCs are not known in advance. Also added the possibility to keep guessing along trajectory of former loadcase. changed back to use the compliance of initial linear material behavior. added counter of non-converged steps renamed compiler flags in makefile
2011-07-13 22:03:12 +05:30
guessmode = 1.0_pReal
else
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
guessmode = 0.0_pReal ! change of load case, homogeneous guess for the first inc
changed input of loadcase. Now fdot (time derivative) can be used instead of velocity gradient. Velocity gradient needs to have each line fully or not at all defined, as for other loadcases the stress BCs are not known in advance. Also added the possibility to keep guessing along trajectory of former loadcase. changed back to use the compliance of initial linear material behavior. added counter of non-converged steps renamed compiler flags in makefile
2011-07-13 22:03:12 +05:30
endif
Ability to define loglinear time increments by using 'logincs' or 'logsteps' instead of 'incs' in loadcase file is added.
2011-07-06 18:40:18 +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
mask_defgrad = merge(ones,zeroes,bc(loadcase)%maskDeformation)
mask_stress = merge(ones,zeroes,bc(loadcase)%maskStress)
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
size_reduced = count(bc(loadcase)%maskStressVector)
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
allocate (c_reduced(size_reduced,size_reduced)); c_reduced = 0.0_pReal
allocate (s_reduced(size_reduced,size_reduced)); s_reduced = 0.0_pReal
DEBUGGING VERSION for calculation of Divergence (various methods implemented). DO NOT USE. Wait for next update coming in a few minutes
2011-08-10 21:32:13 +05:30
final merge with edits dropped intermediately from rev 1190.
2012-01-16 20:40:16 +05:30
timeinc = bc(loadcase)%time/bc(loadcase)%incs ! only valid for given linear time scale. will be overwritten later in case logarithmic scale is used
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
final merge with edits dropped intermediately from rev 1190.
2012-01-16 20:40:16 +05:30
fDot = bc(loadcase)%deformation ! only valid for given fDot. will be overwritten later in case L is given
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
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
!*************************************************************
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
! loop oper incs defined in input file for current loadcase
do inc = 1_pInt, bc(loadcase)%incs
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
!*************************************************************
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
! forwarding time
final merge with edits dropped intermediately from rev 1190.
2012-01-16 20:40:16 +05:30
if (bc(loadcase)%logscale == 1_pInt) then ! logarithmic scale
if (loadcase == 1_pInt) then ! 1st loadcase of logarithmic scale
if (inc == 1_pInt) then ! 1st inc of 1st loadcase of logarithmic scale
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
timeinc = bc(1)%time*(2.0_pReal**real( 1_pInt-bc(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd
final merge with edits dropped intermediately from rev 1190.
2012-01-16 20:40:16 +05:30
else ! not-1st inc of 1st loadcase of logarithmic scale
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
timeinc = bc(1)%time*(2.0_pReal**real(inc-1_pInt-bc(1)%incs ,pReal))
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
endif
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
else ! not-1st loadcase of logarithmic scale
final merge with edits dropped intermediately from rev 1190.
2012-01-16 20:40:16 +05:30
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)) )
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
endif
restructured restarting capabilities
2011-11-07 16:34:57 +05:30
endif
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
time = time + timeinc
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
totalIncsCounter = totalIncsCounter + 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
!*************************************************************
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
! Initialization Start
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
!*************************************************************
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 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(totalIncsCounter == restartReadInc) then ! Initialize values
guessmode = 0.0_pReal ! no old values
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(3,res(1), res(2),res(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
data_fftw = fftw_alloc_complex(int(res1_red*res(2)*res(3)*9_pInt,C_SIZE_T)) !C_SIZE_T is of type integer(8)
call c_f_pointer(data_fftw, data_real, [ res(1)+2_pInt,res(2),res(3),3,3])
call c_f_pointer(data_fftw, data_complex, [ res1_red, res(2),res(3),3,3])
if (debugDivergence) then
divergence = fftw_alloc_complex(int(res1_red*res(2)*res(3)*3_pInt,C_SIZE_T)) !C_SIZE_T is of type integer(8)
call c_f_pointer(divergence, divergence_real, [ res(1)+2_pInt,res(2),res(3),3])
call c_f_pointer(divergence, divergence_complex, [ res1_red, res(2),res(3),3])
endif
if (debugFFTW) then
fftw_debug = fftw_alloc_complex(int(res1_red*res(2)*res(3),C_SIZE_T)) !C_SIZE_T is of type integer(8)
call c_f_pointer(fftw_debug, fftw_debug_real, [ res(1)+2_pInt,res(2),res(3)])
call c_f_pointer(fftw_debug, fftw_debug_complex, [ res1_red, res(2),res(3)])
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
endif
implemented calculation of divergence in real space, polished spectral debugging
2011-11-21 23:42:40 +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
fftw_stress = fftw_plan_many_dft_r2c(3,(/res(3),res(2) ,res(1)/),9,& ! dimensions , length in each dimension in reversed order
data_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
data_complex,(/res(3),res(2) ,res1_red/),&
1, res(3)*res(2)* res1_red,fftw_planner_flag)
fftw_fluctuation = fftw_plan_many_dft_c2r(3,(/res(3),res(2) ,res(1)/),9,&
data_complex,(/res(3),res(2) ,res1_red/),&
1, res(3)*res(2)* res1_red,&
data_real,(/res(3),res(2) ,res(1)+2_pInt/),&
1, res(3)*res(2)*(res(1)+2_pInt),fftw_planner_flag)
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 (debugDivergence) &
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
fftw_divergence = fftw_plan_many_dft_c2r(3,(/res(3),res(2) ,res(1)/),3,&
divergence_complex,(/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)
if (debugFFTW) fftw_debug_forward = fftw_plan_dft_r2c_3d(res(3),res(2),res(1),fftw_debug_real,fftw_debug_complex,fftw_planner_flag) !reversed order
if (debugFFTW) fftw_debug_backward= fftw_plan_dft_c2r_3d(res(3),res(2),res(1),fftw_debug_complex,fftw_debug_real,fftw_planner_flag) !reversed order
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 (debugGeneral) then
write (6,*) 'FFTW initialized'
endif
implemented calculation of divergence in real space, polished spectral debugging
2011-11-21 23:42:40 +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 (restartReadInc==1_pInt) then ! not restarting, no deformation at the beginning
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)
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(i,j,k,1:3,1:3) = math_I3
defgradold(i,j,k,1:3,1:3) = math_I3
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +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
else ! using old values
if (IO_read_jobBinaryFile(777,'convergedSpectralDefgrad',trim(getSolverJobName()),size(defgrad))) then
read (777,rec=1) defgrad
close (777)
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
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
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +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
defgradAim = defgradAim * wgt
defgradAimOld = defgradAim
guessmode=0.0_pInt
endif
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
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
coordinates(1:3,i,j,k) = mesh_ipCenterOfGravity(1:3,1,ielem) ! set to initial coordinates ToDo: SHOULD BE UPDATED TO CURRENT POSITION IN FUTURE REVISIONS!!! But do we know them? I don't think so. Otherwise we don't need geometry reconstruction
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
call CPFEM_general(2_pInt,coordinates(1:3,i,j,k),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
if (debugGeneral) then
write (6,*) 'first call to CPFEM_general finished'
endif
do k = 1_pInt, res(3) ! calculation of discrete angular frequencies, ordered as in FFTW (wrap around)
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)
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 i = 1, res1_red
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
k_s(1) = i - 1_pInt
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
xi(3,i,j,k) = 0.0_pReal ! 2D case
if(res(3) > 1_pInt) xi(3,i,j,k) = real(k_s(3), pReal)/geomdimension(3) ! 3D case
xi(2,i,j,k) = real(k_s(2), pReal)/geomdimension(2) ! 2D and 3D case
xi(1,i,j,k) = real(k_s(1), pReal)/geomdimension(1) ! 2D and 3D case
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
enddo; enddo; enddo
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
!remove the given highest frequencies for calculation of the gamma operator
cutting_freq = (/0_pInt,0_pInt,0_pInt/) ! for 0,0,0, just the highest freq. is removed
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
final merge with edits dropped intermediately from rev 1190.
2012-01-16 20:40:16 +05:30
if((k > res(3)/2_pInt - cutting_freq(3)).and.(k <= res(3)/2_pInt + 1_pInt + cutting_freq(3))) xi(3,i,j,k)= 0.0_pReal
if((j > res(2)/2_pInt - cutting_freq(2)).and.(j <= res(2)/2_pInt + 1_pInt + cutting_freq(2))) xi(2,i,j,k)= 0.0_pReal
if((i > res(1)/2_pInt - cutting_freq(1)).and.(i <= res(1)/2_pInt + 1_pInt + cutting_freq(1))) xi(1,i,j,k)= 0.0_pReal
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
enddo; enddo; enddo
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +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
if(memory_efficient) then ! allocate just single fourth order tensor
allocate (gamma_hat(1,1,1,3,3,3,3)); gamma_hat = 0.0_pReal
else ! precalculation of gamma_hat field
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
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
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
if (any(xi(1:3,i,j,k) /= 0.0_pReal)) then
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
do l = 1_pInt ,3_pInt; do m = 1_pInt,3_pInt
xiDyad(l,m) = xi(l,i,j,k)*xi(m,i,j,k)
enddo; enddo
temp33_Real = math_inv3x3(math_mul3333xx33(c0_reference, xiDyad))
else
xiDyad = 0.0_pReal
temp33_Real = 0.0_pReal
endif
do l=1_pInt,3_pInt; do m=1_pInt,3_pInt; do n=1_pInt,3_pInt; do p=1_pInt,3_pInt
gamma_hat(i,j,k, l,m,n,p) = - 0.25*(temp33_Real(l,n)+temp33_Real(n,l)) *&
(xiDyad(m,p)+xiDyad(p,m))
enddo; enddo; enddo; enddo
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +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
endif
if (divergence_correction) then
if (res(3) == 1_pInt) then
correctionFactor = minval(geomdimension(1:2))*wgt**(-1.0_pReal/4.0_pReal) ! 2D case, ToDo: correct?
else
correctionFactor = minval(geomdimension(1:3))*wgt**(-1.0_pReal/4.0_pReal) ! multiplying by minimum dimension to get rid of dimension dependency and phenomenologigal factor wgt**(-1/4) to get rid of resolution dependency
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
else
correctionFactor = 1.0_pReal
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
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
! write header of output file
!$OMP CRITICAL (write2out)
open(538,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())&
//'.spectralOut',form='UNFORMATTED',status='REPLACE')
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(538), 'load', trim(getLoadcaseName())
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
write(538), 'workingdir', trim(getSolverWorkingDirectoryName())
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(538), 'geometry', trim(getSolverJobName())//InputFileExtension
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
write(538), 'resolution', res
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(538), 'dimension', geomdimension
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
write(538), 'materialpoint_sizeResults', materialpoint_sizeResults
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(538), 'loadcases', N_Loadcases
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
write(538), 'frequencies', bc(1:N_Loadcases)%outputfrequency ! one entry per loadcase
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
write(538), 'times', bc(1:N_Loadcases)%time ! one entry per loadcase
write(538), 'logscales', bc(1:N_Loadcases)%logscale
bc(1)%incs = bc(1)%incs + 1_pInt
write(538), 'increments', bc(1:N_Loadcases)%incs ! one entry per loadcase
bc(1)%incs = bc(1)%incs - 1_pInt
write(538), 'startingIncrement', restartReadInc -1_pInt ! start with writing out the previous inc
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
write(538), 'eoh' ! end of header
write(538), materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:Npoints) ! initial (non-deformed) results
!$OMP END CRITICAL (write2out)
endif
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
!*************************************************************
! Initialization End
!*************************************************************
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 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(totalIncsCounter >= restartReadInc) then ! Do calculations (otherwise just forwarding)
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(bc(loadcase)%restartFrequency>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
restartWrite = ( mod(inc - 1_pInt,bc(loadcase)%restartFrequency)==0_pInt) ! at frequency of writing restart information
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
! setting restart parameter for FEsolving (first call to CPFEM_general will write ToDo: true?)
if (bc(loadcase)%velGradApplied) & ! calculate fDot from given L and current F
fDot = math_mul33x33(bc(loadcase)%deformation, defgradAim)
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
!winding forward of deformation aim in loadcase system
temp33_Real = defgradAim
defgradAim = defgradAim &
+ guessmode * mask_stress * (defgradAim - defgradAimOld) &
+ mask_defgrad * fDot * timeinc
defgradAimOld = temp33_Real
! update local deformation gradient
if (any(bc(loadcase)%rotation/=math_I3)) then ! lab and loadcase coordinate system are NOT the same
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
temp33_Real = defgrad(i,j,k,1:3,1:3)
if (bc(loadcase)%velGradApplied) & ! use velocity gradient to calculate new deformation gradient (if not guessing)
fDot = math_mul33x33(bc(loadcase)%deformation,&
math_rotate_forward3x3(defgradold(i,j,k,1:3,1:3),bc(loadcase)%rotation))
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
+ guessmode * (defgrad(i,j,k,1:3,1:3) - defgradold(i,j,k,1:3,1:3))& ! guessing...
+ math_rotate_backward3x3((1.0_pReal-guessmode) * mask_defgrad * fDot,&
bc(loadcase)%rotation) *timeinc ! apply the prescribed value where deformation is given if not guessing
defgradold(i,j,k,1:3,1:3) = temp33_Real
enddo; enddo; enddo
else ! one coordinate system for lab and loadcase, save some multiplications
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
temp33_Real = defgrad(i,j,k,1:3,1:3)
if (bc(loadcase)%velGradApplied) & ! use velocity gradient to calculate new deformation gradient (if not guessing)
fDot = math_mul33x33(bc(loadcase)%deformation,defgradold(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
+ guessmode * (defgrad(i,j,k,1:3,1:3) - defgradold(i,j,k,1:3,1:3))& ! guessing...
+ (1.0_pReal-guessmode) * mask_defgrad * fDot * timeinc ! apply the prescribed value where deformation is given if not guessing
defgradold(i,j,k,1:3,1:3) = temp33_Real
enddo; enddo; enddo
endif
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
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
final merge with edits dropped intermediately from rev 1190.
2012-01-16 20:40:16 +05:30
c_prev = math_rotate_forward3x3x3x3(c_current*wgt,bc(loadcase)%rotation) ! calculate stiffness from former inc
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
if(size_reduced > 0_pInt) then ! calculate compliance in case stress BC is applied
c_prev99 = math_Plain3333to99(c_prev)
k = 0_pInt ! build reduced stiffness
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
call math_invert(size_reduced, c_reduced, s_reduced, i, errmatinv) ! invert reduced stiffness
if(errmatinv) call IO_error(error_ID=800)
s_prev99 = 0.0_pReal ! build full compliance
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
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
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +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,I5.5,A,es12.6)', 'Increment ', totalIncsCounter, ' Time ',time
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
if (restartWrite ) then
final merge with edits dropped intermediately from rev 1190.
2012-01-16 20:40:16 +05:30
print '(A)', 'writing converged results of previous increment for restart'
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(IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(defgrad))) then ! and writing deformation gradient field to file
write (777,rec=1) defgrad
close (777)
endif
endif
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
!*************************************************************
! convergence loop
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
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)', ''
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
print '(a)', '============================================================='
final merge with edits dropped intermediately from rev 1190.
2012-01-16 20:40:16 +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
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,/,3(3(f12.7,x)/)$)', 'deformation gradient:',&
math_transpose3x3(math_rotate_forward3x3(defgrad_av_lab,bc(loadcase)%rotation))
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
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
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
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
call CPFEM_general(3_pInt,& ! collect cycle
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
coordinates(1:3,i,j,k), defgradold(i,j,k,1:3,1:3), defgrad(i,j,k,1:3,1:3),&
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
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
data_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
if (debugFFTW) then
final merge with edits dropped intermediately from rev 1190.
2012-01-16 20:40:16 +05:30
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
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
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
call CPFEM_general(CPFEM_mode,& ! first element in first iteration retains CPFEM_mode 1,
coordinates(1:3,i,j,k),&
defgradold(i,j,k,1:3,1:3), defgrad(i,j,k,1:3,1:3),& ! others get 2 (saves winding forward effort)
temperature(i,j,k),timeinc,ielem,1_pInt,&
cstress,dsde, pstress,dPdF)
CPFEM_mode = 2_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
data_real(i,j,k,1:3,1:3) = pstress
if (debugFFTW) fftw_debug_real(i,j,k) = pstress(row,column) ! choose an arbitrary component
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
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
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
pstress_av_lab(m,n) = sum(data_real(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
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)', '... calculating equilibrium with spectral method ............'
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
call fftw_execute_dft_r2c(fftw_stress,data_real,data_complex) ! FFT of pstress
if (debugFFTW) then
call fftw_execute_dft_r2c(fftw_debug_forward,fftw_debug_real,fftw_debug_complex)
print '(a,i1,x,i1)', 'checking FT results of compontent ', row, column
print '(a,2(es10.4,x))', 'max FT relative error ',&
maxval( real((fftw_debug_complex(1:res1_red,1:res(2),1:res(3))- data_complex(1:res1_red,1:res(2),1:res(3),row,column))/fftw_debug_real(1:res1_red,1:res(2),1:res(3)))), &
maxval(aimag((fftw_debug_complex(1:res1_red,1:res(2),1:res(3))- data_complex(1:res1_red,1:res(2),1:res(3),row,column))/fftw_debug_real(1:res1_red,1:res(2),1:res(3))))
fftw_debug_complex = 0.0_pReal
endif
p_hat_avg = sqrt(maxval (math_eigenvalues3x3(math_mul33x33(real(data_complex(1,1,1,1:3,1:3)),& ! L_2 norm of average stress (freq 0,0,0) in fourier space,
math_transpose3x3(real(data_complex(1,1,1,1:3,1:3))))))) ! ignore imaginary part as it is always zero for real only input
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
err_div_avg_complex = 0.0_pReal
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
err_div_max = 0.0_pReal ! only important if debugDivergence == .true.
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
divergence_complex = 0.0_pReal ! - '' -
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +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
temp3_Complex = math_mul33x3_complex(data_complex(i,j,k,1:3,1:3),xi(1:3,i,j,k)) ! calculate divergence without factor of 2*pi*img
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
if(debugDivergence) then ! need divergence NOT squared
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
divergence_complex(i,j,k,1:3) = temp3_Complex *img !ToDo negativ img?
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
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
temp3_Complex = temp3_Complex**2.0_pReal ! all criteria need divergence squared
if(i==1_pInt .or. i == res1_red) then ! We are on one of the two slides without conjg. complex counterpart
err_div_avg_complex = err_div_avg_complex + sum(temp3_Complex) ! RMS of L_2 norm of div(stress) in fourier space (Suquet small strain)
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
else ! Has somewhere a conj. complex counterpart. Therefore count it twice.
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
err_div_avg_complex = err_div_avg_complex +2.0*real(sum(temp3_Complex) ) ! Ignore img part (conjg. complex sum will end up 0). This and the different order
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
endif ! compared to c2c transform results in slight numerical deviations.
if(debugDivergence) 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
err_div_max = max(err_div_max,abs(sqrt(sum(temp3_Complex)))) ! maximum of L two norm of div(stress) in fourier space (Suquet large strain)
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
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
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 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
err_div = abs(sqrt (err_div_avg_complex*wgt)) ! weighting by and taking square root (RMS). abs(...) because result is a complex number
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
err_div = err_div *correctionFactor/p_hat_avg ! weighting by average stress and multiplying with correction factor
err_div_max = err_div_max*correctionFactor/p_hat_avg ! - '' - only if debugDivergence == .true. of importance
! calculate additional divergence criteria and report -------------
if(debugDivergence) 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
call fftw_execute_dft_c2r(fftw_divergence,divergence_complex,divergence_real)
divergence_real = divergence_real *pi*2.0_pReal* wgt !pointwise factor 2*pi from differentation and weighting from FT
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
err_real_div_avg = 0.0_pReal
err_real_div_max = 0.0_pReal
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
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
err_real_div_avg = err_real_div_avg + 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
p_real_avg = sqrt(maxval (math_eigenvalues3x3(math_mul33x33(pstress_av_lab,& ! L_2 norm of average stress in real space,
math_transpose3x3(pstress_av_lab)))))
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
err_real_div_avg = sqrt(wgt*err_real_div_avg)*correctionFactor/p_real_avg ! RMS in real space
err_real_div_max = err_real_div_max *correctionFactor/p_real_avg
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
print '(a,es10.4,a,f6.2)', 'error divergence FT avg = ',err_div, ', ', err_div/err_div_tol
print '(a,es10.4)', 'error divergence FT max = ',err_div_max
print '(a,es10.4)', 'error divergence Real avg = ',err_real_div_avg
print '(a,es10.4)', 'error divergence Real max = ',err_real_div_max
else
print '(a,es10.4,a,f6.2)', 'error divergence = ',err_div, ', ', err_div/err_div_tol
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
if(memory_efficient) then ! memory saving version, on-the-fly calculation of gamma_hat
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
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
if (any(xi(1:3,i,j,k) /= 0.0_pReal)) then
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt
xiDyad(l,m) = xi(l,i,j,k)*xi(m,i,j,k)
enddo; enddo
temp33_Real = math_inv3x3(math_mul3333xx33(c0_reference, xiDyad))
else
xiDyad = 0.0_pReal
temp33_Real = 0.0_pReal
endif
do l=1_pInt,3_pInt; do m=1_pInt,3_pInt; do n=1_pInt,3_pInt; do p=1_pInt,3_pInt
gamma_hat(1,1,1, l,m,n,p) = - 0.25_pReal*(temp33_Real(l,n)+temp33_Real(n,l))*&
(xiDyad(m,p) +xiDyad(p,m))
enddo; enddo; enddo; enddo
do m = 1_pInt,3_pInt; do n = 1_pInt,3_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
temp33_Complex(m,n) = sum(gamma_hat(1,1,1, m,n, 1:3,1:3) * data_complex(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
enddo; enddo
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
data_complex(i,j,k,1:3,1:3) = temp33_Complex
if (debugFFTW) fftw_debug_complex(i,j,k) = temp33_Complex(row,column)
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
enddo; enddo; enddo
else ! use precalculated gamma-operator
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
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
do m = 1_pInt,3_pInt; do n = 1_pInt,3_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
temp33_Complex(m,n) = sum(gamma_hat(i,j,k, m,n, 1:3,1:3) * data_complex(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
enddo; enddo
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
data_complex(i,j,k,1:3,1:3) = temp33_Complex
if (debugFFTW) fftw_debug_complex(i,j,k) = temp33_Complex(row,column)
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +05:30
enddo; enddo; enddo
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
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
data_complex(1,1,1,1:3,1:3) = defgrad_av_lab - math_I3 ! assign zero frequency (real part) with average displacement gradient
if (debugFFTW) fftw_debug_complex(1,1,1) = data_complex(1,1,1,row,column)
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 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
call fftw_execute_dft_c2r(fftw_fluctuation,data_complex,data_real) ! back transform of fluct deformation gradient
if (debugFFTW) then
print '(a,i1,x,i1)', 'checking iFT results of compontent ', row, column
call fftw_execute_dft_c2r(fftw_debug_backward,fftw_debug_complex,fftw_debug_real)
print '(a,es10.4)', 'max iFT relative error ',&
maxval((fftw_debug_real(1:res(1),1:res(2),1:res(3))- data_real(1:res(1),1:res(2),1:res(3),row,column))/fftw_debug_real(1:res(1),1:res(2),1:res(3)))
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
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
defgrad = defgrad + data_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
do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
defgrad_av_lab(m,n) = sum(defgrad(1:res(1),1:res(2),1:res(3),m,n))*wgt ! ToDo: check whether this needs recalculation or is equivalent to former defgrad_av
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
enddo; enddo
! stress boundary condition check -------------
pstress_av = math_rotate_forward3x3(pstress_av_lab,bc(loadcase)%rotation)
print '(a,/,3(3(f12.7,x)/)$)', 'Piola-Kirchhoff stress / MPa: ',math_transpose3x3(pstress_av)/1.e6
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)
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
err_stress_tol = maxval(abs(pstress_av)) * err_stress_tolrel ! don't use any tensor norm because the comparison should be coherent
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)', ''
print '(a,es10.4,a,f6.2)', 'error stress = ',err_stress, ', ', err_stress/err_stress_tol
print '(a)', '... correcting deformation gradient to fulfill BCs ..........'
defgradAimCorr = - math_mul3333xx33(s_prev, ((pstress_av - bc(loadcase)%stress))) ! residual on given stress components
defgradAim = defgradAim + defgradAimCorr
print '(a,/,3(3(f12.7,x)/)$)', 'new deformation aim: ', math_transpose3x3(defgradAim)
print '(a,x,es10.4)' , 'with determinant: ', math_det3x3(defgradAim)
else
err_stress_tol = 0.0_pReal
endif
! ------------------------------
! homogeneous correction towards avg deformation gradient -------------
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
defgradAim_lab = math_rotate_backward3x3(defgradAim,bc(loadcase)%rotation) ! boundary conditions from load frame into lab (Fourier) frame
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
do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt
defgrad(1:res(1),1:res(2),1:res(3),m,n) = &
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 18:00:35 +05:30
defgrad(1:res(1),1:res(2),1:res(3),m,n) + (defgradAim_lab(m,n) - defgrad_av_lab(m,n)) ! anticipated target minus current state
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
enddo; enddo
! ------------------------------
! bounds of det(F) -------------
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)
defgradDet = math_det3x3(defgrad(i,j,k,1:3,1:3))
defgradDetMax = max(defgradDetMax,defgradDet)
defgradDetMin = min(defgradDetMin,defgradDet)
enddo; enddo; enddo
print '(a,x,es10.4)' , 'max determinant of deformation:', defgradDetMax
print '(a,x,es10.4)' , 'min determinant of deformation:', defgradDetMin
! ------------------------------
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
removed deadlock when calling IO_warning(33) polished IO_error and IO_warning checked OpenMP critical statements in DAMASK_spectral.f90 corrected writing of headed in DAMASK_spectral.f90
2011-11-02 20:08:42 +05:30
!$OMP CRITICAL (write2out)
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)', ''
important bugfix for reading in results in case of restart
2011-11-18 03:41:05 +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
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
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)', ''
print '(a)', '... writing results to file .................................'
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
removed deadlock when calling IO_warning(33) polished IO_error and IO_warning checked OpenMP critical statements in DAMASK_spectral.f90 corrected writing of headed in DAMASK_spectral.f90
2011-11-02 20:08:42 +05:30
!$OMP END CRITICAL (write2out)
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
! ##################################################
! # test of regridding
! allocate(deformed_small(res(1) ,res(2) ,res(3) ,3)); deformed_small = 0.0_pReal
! allocate(deformed_large(3,Npoints*27_pInt)); deformed_large = 0.0_pReal !ToDo: make it smaller (small corona only)
! call deformed_fft(res,geomdimension,defgrad_av_lab,1.0_pReal,defgrad,deformed_small) ! calculate deformed coordinates
! shift = math_mul33x3(defgrad_av_lab,geomdimension)
! print*, 'defgrad'
! do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
! print*, defgrad(i,j,k,1:3,1:3)
! enddo; enddo; enddo
! print*, 'deformed_small'
! do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
! print*, deformed_small(i,j,k,1:3)
! enddo; enddo; enddo
! print*, 'shift', shift
! ielem = 0_pInt
! do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
! do n = -1, 1
! do m = -1, 1
! do l = -1, 1
! ielem = ielem +1_pInt
! deformed_large(1:3,ielem) = deformed_small(i,j,k,1:3)+ real((/l,m,n/),pReal)*shift
! enddo; enddo; enddo
! enddo; enddo; enddo
! print*, 'deformed_large'
! print*, deformed_large
! tree => kdtree2_create(deformed_large,sort=.true.,rearrange=.true.)
! allocate(new_coordinates(res(1),res(2),res(3),3)); new_coordinates = 0.0_pReal !fluctuation free new coordinates
! do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
! new_coordinates(i,j,k,1:3) = math_mul33x3(defgrad_av_lab,coordinates(1:3,i,j,k))
! enddo; enddo; enddo
! pause
! ##################################################
! # end test of regridding
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
removed deadlock when calling IO_warning(33) polished IO_error and IO_warning checked OpenMP critical statements in DAMASK_spectral.f90 corrected writing of headed in DAMASK_spectral.f90
2011-11-02 20:08:42 +05:30
!$OMP CRITICAL (write2out)
mainly fixed error in output of spectral results (1:N,…) instead of (N,…) rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 15:31:32 +05:30
print '(a)', ''
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor) added precision directive to all values I found
2011-11-15 23:24:18 +05:30
print '(a)', '#############################################################'
final merge with edits dropped intermediately from rev 1190.
2012-01-16 20:40:16 +05:30
print '(i6.6,a,i6.6,a)', notConvergedCounter, ' out of ', &
totalIncsCounter - restartReadInc + 1_pInt, ' increments did not converge!'
removed deadlock when calling IO_warning(33) polished IO_error and IO_warning checked OpenMP critical statements in DAMASK_spectral.f90 corrected writing of headed in DAMASK_spectral.f90
2011-11-02 20:08:42 +05:30
!$OMP END CRITICAL (write2out)
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)
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
call fftw_destroy_plan(fftw_stress); call fftw_destroy_plan(fftw_fluctuation)
if (debugDivergence) call fftw_destroy_plan(fftw_divergence)
if (debugFFTW) then
call fftw_destroy_plan(fftw_debug_forward)
call fftw_destroy_plan(fftw_debug_backward)
endif
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
!
!********************************************************************
first shot at mpie_spectral wrapper
2010-06-08 15:38:15 +05:30
subroutine quit(id)
use prec
implicit none
integer(pInt) id
stop
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