Commit Graph

945 Commits

Author SHA1 Message Date
Martin Diehl bd9e81fbec intermediate, not working state of new solver structure 2012-07-20 15:33:13 +00:00
Martin Diehl ad3f9d8050 removed old standalone AL solver and introduced new structure for solver zoo 2012-07-19 17:24:56 +00:00
Martin Diehl 7d4ff278cb worked on the restart capabilities 2012-07-19 14:16:59 +00:00
Martin Diehl 13caf2d389 made linear shape reconstruction working again, pretty similar results like corrected FFT reconstruction 2012-07-18 18:39:59 +00:00
Martin Diehl a22163c2ae reverted unwanted commit of Makefile 2012-07-18 12:34:46 +00:00
Martin Diehl 95d292b286 2012-07-18 12:31:07 +00:00
Philip Eisenlohr 7c6fc121fd condensed error reporting for constitutive_XYZ_init
removed erroneous check for structure>3
2012-07-17 17:36:24 +00:00
Philip Eisenlohr 0fdd43b54b minor clarification of file content and its use 2012-07-05 10:02:20 +00:00
Philip Eisenlohr 4d09ef0648 changed variable name "debug_what" to "debug_level" 2012-07-05 09:54:50 +00:00
Philip Eisenlohr b69f446caa added constitutive_none
added wrongly deleted "endif" statements
removed tmglib and refblas from linker command for lapack (Koen??)
xxxROOT is changed by setup_code unless commented-out... So had to delete '#' again.
2012-07-03 13:59:38 +00:00
Philip Eisenlohr aeb1e18268 passing of multiple make options possible now 2012-07-03 13:57:05 +00:00
Philip Eisenlohr 7f10ab0996 corrected to consistent naming: "IMKL"
restored xxxROOT to commented-out auto entries.
commented-out currently unused PETSC parts.
added "refblas" and "tmglib" to LAPACK library inclusion (seems to be necessary since 3.2.1).
2012-07-03 12:36:54 +00:00
Franz Roters 823013d485 new plasticity: none
see material.config for necessary parameters (lattice_structure, elastic constants)
2012-07-03 11:16:38 +00:00
Philip Eisenlohr b4103b205d parts of the material.config can now be set to echo their content back into the log-file (i.e. STDOUT / unit 6)
use keyword "/echo/" before first section in the respective parts that you want to see echoed back into the log file.
2012-06-26 10:24:54 +00:00
Martin Diehl 767842acbf now real time monitoring of DAMASK_spectral output to screen
working with GNU Fortran as well (new checking for return code)
2012-06-25 09:03:19 +00:00
Martin Diehl 0606845f15 reordered calculation of current stiffness to enable restarting with different resolution 2012-06-22 09:20:23 +00:00
Martin Diehl bd462d12c6 fixed some bugs in the regridding routine 2012-06-20 18:33:20 +00:00
Martin Diehl d650972904 corrected some bugs concerning the regridding
prevented FEsolving from potentially write to a none existing file
started to introduce petsc into the make chain (nothing happens if PETSC_DIR is not set)
2012-06-20 12:49:46 +00:00
Nan Jia f5eb8fcb25 fixed bug caused by the inconsistent sequence of slip and twin systems 2012-06-19 16:06:25 +00:00
Martin Diehl 481268c8c2 fixed closing of file (unit 222) statement in FEsolving.f90
added missing keyword in mesh.f90 with ifndef Spectral statement (needed for Marc and Abaqus)
2012-06-19 14:33:24 +00:00
Krishna Komerla 06be437bc9 added minRes to regridding function and writing out of new geometry file
updated f2py wrapper to enable the use of init functions.
added 2 new error messages to io
2012-06-19 13:31:15 +00:00
Martin Diehl 8537e87b7e added shell scripts to run tests from crontab, improved numbering in spectral compile tests and added some first files for testing restart capabilities of spectral solver.
added configuration file for generation of code documentation using doxygen
restart of spectral solver is fixed and seem to work now also for restart at significant deformation.
spectral solver now gives exit code 2 if some increments did not converge
2012-06-18 15:27:01 +00:00
Philip Eisenlohr d9c6f9e134 switch on restartRead logical when requested by "--restart" cmdline switch 2012-06-18 09:27:36 +00:00
Franz Roters 380f40561b first calculation of Tstar still used hard coded Hooke, now usese constitutive_TandItsTangent(...) 2012-06-18 07:26:34 +00:00
Martin Diehl b2fd3e1180 introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only.
Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver.
Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile.
Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 16:10:21 +00:00
Martin Diehl eb39d332bd ULTRA OPTIMIZATION wasnt working anymore, seems to be related to Bertholds update of ws12 and ws13. had to remove -static from optimization string to be able to link again. Added some support for IKLM, but this didn't solve the problem 2012-06-13 17:19:16 +00:00
Martin Diehl 3ef17c208b set default lapack to lapack instead of acml, added definition of makro for spectral solver for later use in preprocessor 2012-06-13 13:45:58 +00:00
Martin Diehl 052b526bde made compilation of spectral code a command line switch and removed interactive question 2012-06-13 13:42:00 +00:00
Franz Roters 7754416b35 now both getSolverJobName and getSolverWorkingDirectoryName use unit 5! 2012-06-13 09:58:06 +00:00
Franz Roters d3d0cfdab1 common blocks from 2012
updated setup to also create DAMASK_marc2012.f90
2012-06-13 07:30:27 +00:00
Franz Roters a5c27f22ca now uses unit 5 for file name inquiery (unit 6 points to stdout in 2012, might be a bug though) 2012-06-13 07:28:43 +00:00
Franz Roters 5b7f2e122e fixed usage of OpenMP function library 2012-06-12 09:44:05 +00:00
Christoph Kords fc7b4d6471 new function stateJump, which takes care of immediate changes in the state (deltaState); this introduces discontinuities in the state evolution; therefore this is always and only once done after each integration step, so no evaluation of deltaState for intermediate steps of e.g. the Runge-Kutta integrator; otherwise integration becomes a pain without significant gain in accuracy
deltaState now successfully tested for nonlocal model; was not correct for integrators 1,4,5 before
2012-06-06 15:11:30 +00:00
Martin Diehl fa7f9866df removed phase contrast/preconditioning
added information on itmin in output, impoved output
set exit code to 0 on successful termination (seems to be unix standard)
exit codes:
0: successful termination
1: error (using IO_error)
2: require regrid 
updated the AL solver, still VERY experimental
2012-06-05 16:34:20 +00:00
Martin Diehl 4b6800b89a removed some unwanted open statements when writing out the sizeState 2012-06-05 13:13:33 +00:00
Franz Roters 01522cf6f2 check for valid elasticity model
improved error message in case of unknown elaticity/plasticity model
2012-06-02 14:23:28 +00:00
Nan Jia 3af9165b08 useless debugging inforomation (asking for elastic moduli output) is removed 2012-05-31 09:25:04 +00:00
Christoph Kords 145d971d7e added some debug output 2012-05-30 08:05:36 +00:00
Christoph Kords 5cc73a15a9 small correction in debug output 2012-05-30 07:41:22 +00:00
Martin Diehl 0127828f70 corrected initialization order 2012-05-29 15:08:18 +00:00
Taymor El Achkar e1c5671e1f relaxed error message triggering such that purely elastic calculations and more than one constitutive instance using hex lattice are possible. no twinning possible if no slip system exists 2012-05-24 14:08:48 +00:00
Martin Diehl 1003cfa7f8 added missing space in makefile, made removing of old files in Makefile silent and updated files for tests to current versions 2012-05-23 18:08:34 +00:00
Philip Eisenlohr c607441717 (likely) fixed a bug in the FFT-based geometry reconstruction. For (hopefully) correct math see Appendix B in paper. 2012-05-22 18:35:15 +00:00
Nan Jia bbf790a0a5 Input parameter 'QedgePerSbSystem' which denotes activation energy for each shear band system is added 2012-05-22 16:10:28 +00:00
Franz Roters 9201133913 activated keyword expansion 2012-05-22 12:45:37 +00:00
Martin Diehl cec3357e8f corrected bug causing wrong element construction when using spectral solver. Also improved error messages for invalid resolution, dimension, and homogenization. 2012-05-21 09:06:02 +00:00
Christoph Kords 20f203f799 allow minimum stable dipole height equal to zero; ensure that maximum stable dipole height is not smaller than the minimum value 2012-05-20 13:57:35 +00:00
Christoph Kords 5b02d4e8eb dipole dissociation and formation by change in stress as new mechanism in deltaState; had to add dipole height to state variables, which is however updated by deltaState instead of microstructure; alternatively microstructure had to know the current stress state 2012-05-18 14:35:52 +00:00
Christoph Kords 4da6907648 moved remobilization of dead dislocations from dotState to deltaState 2012-05-18 13:35:44 +00:00
Christoph Kords a5c1624648 check for invalid mesh type once in constitutive_init and not every time constitutive_nonlocal_dotState is called 2012-05-18 13:15:23 +00:00
Christoph Kords 8c849d62ee small corrections for how to treat the new deltaState in FPI and euler integration; all integrators successfully tested with j2 2012-05-18 13:00:15 +00:00
Christoph Kords abbae76c51 instantaneous jumps in the state by constitutive_deltaState are now incorporated for all state integrators. still they (should) not influence the result, since all constitutive laws simply return zero for the deltaState 2012-05-17 15:25:21 +00:00
Christoph Kords 351c2c6e65 deltaState depends on the current state, no the state at the beginning of the timestep 2012-05-17 12:18:30 +00:00
Christoph Kords f6d5efeed3 removed arguments Fe and Fp from collectDeltaState function call 2012-05-17 11:04:22 +00:00
Christoph Kords a54439e3b5 dotState does not have to be reset to zero. this is a remnant from older versions when the dotState for the nonlocal model used to be updated by the neighboring integration point 2012-05-16 15:35:14 +00:00
Christoph Kords 84d4652a07 all constitutive modules now contain a new function "deltaState", which in the future allows to have an instantaneous and incremental change of the state (additional to the rate based evolution with dotState). 2012-05-16 14:43:26 +00:00
Franz Roters df2d520630 stripping abaqus comments is now aware of damask comments 2012-05-15 14:59:26 +00:00
Franz Roters 701cf2e71b replaced duplicated math entry by missing mesh entry 2012-05-15 14:58:47 +00:00
Martin Diehl 0d745adfa0 corrected NaN in prec_single.f90 (was already silent but with typo), polished output and added switch in order to check range on all files except of prec.f90 (in which NaN is defined) 2012-05-11 12:46:17 +00:00
Franz Roters 7ee368f324 check whether there is any constitutive output 2012-05-11 07:38:20 +00:00
Franz Roters f8f9c089d6 check for NaN in math_QuaternionInSST 2012-05-11 07:37:32 +00:00
Franz Roters babf2647fb use non signaling version of NaN 2012-05-11 07:35:52 +00:00
Martin Diehl ce83026965 corrected bug in fft based geometry reconstruction causing mirrored geometries 2012-05-09 14:56:25 +00:00
Taymor El Achkar d11aa15a67 changed indices counting (fortran to python style, easier division to get rid of periodic copies)
corrected f2py pyf file
2012-05-09 10:09:56 +00:00
Krishna Komerla fbd075dc6e corrected automatic determination of resolution 2012-05-08 15:12:43 +00:00
Krishna Komerla c752dd5474 regridding is now working, changed the subroutine into a function
changed order of arrays in nearest neighbor search to make it fortran fast
constitutive.f90 and homogenization.f90 write state size out during initialization
setup/setup_processing.py is using byterecl to be compatible with binary files written out by solver
2012-05-08 14:57:06 +00:00
Taymor El Achkar a9a72cee97 fixed bug in nearest neighbor search, corrected error message for kdtree2.f90 2012-05-08 13:16:59 +00:00
Franz Roters eb8265b914 fixed potential division by zero error discovered by our American friends 2012-05-08 07:16:00 +00:00
Pratheek Shanthraj bdc46a8828 using better measure (norm) of phase contrast for preconditioning 2012-05-07 08:12:13 +00:00
Krishna Komerla 4b18278781 reworked neares neigbor search subroutine, now also works for voronoi tesselation (general nn search in periodic cell) 2012-05-04 13:07:37 +00:00
Martin Diehl 863f0c766e removed line continuation causing trouble 2012-05-04 08:19:12 +00:00
Martin Diehl b4775249e8 corrected standard check to make f2py working with gfortran 2012-05-03 17:12:36 +00:00
Martin Diehl 26c6063a2c utf8 encoding output to screen now for all solvers using intel ifort>10 or any gfortran (old versions might not support it, but we don't use them anyway) 2012-04-28 10:46:41 +00:00
Philip Eisenlohr dbeac18df6 no more dropping of comments in Abaqus input file assembly 2012-04-27 14:33:39 +00:00
Krishna Komerla 83e89fba3c improved regridding, especially interfacing to python (also for nearest neighbor search) 2012-04-24 17:02:27 +00:00
Krishna Komerla e33c34d86b corrected wrong integer arithmetics in calculation of coordinates in DAMASK_spectral.f90 2012-04-24 16:59:38 +00:00
Philip Eisenlohr 83e22c00a2 added missing allocation of slopeLnRate array.
changed parsing to lowercase name.
2012-04-20 12:18:38 +00:00
Martin Diehl d2c4874db3 several small corrections/polishing 2012-04-20 11:58:41 +00:00
Pratheek Shanthraj c889d20ba0 added simple preconditioning to improve convergence for high phase contrast materials in standard algorithm 2012-04-20 09:42:57 +00:00
Philip Eisenlohr caff3124fd changed multiplier keyword from "times" to "copies of" to prevent ambiguity. 2012-04-17 10:05:49 +00:00
Philip Eisenlohr dbc5a3a3ce subnodeparent check is now running only over actual number (not max) of parent nodes... 2012-04-17 09:19:44 +00:00
Martin Diehl f905a97cdf fixed bug (causing sigsev) concerning new functions mesh_spectral_get*** 2012-04-12 08:03:08 +00:00
Martin Diehl 8c559cbdc9 fixed bug concerning file handling. 2012-04-11 18:46:36 +00:00
Martin Diehl 37fa6c2e14 merged code for python and spectral solver interfacing (shared most of it anyway).
put functionality for getting header information (dimension, homogenization, resolution) in functions in mesh.f90
2012-04-11 17:28:08 +00:00
Martin Diehl a18e5e48dc added 'times' keyword in function for continuous int values: "4 times 1 => 1 1 1 1", mainly for geom files of spectral solver.
corrected name for contin"U"ousIntValues functions
2012-04-11 17:24:50 +00:00
Martin Diehl 91cfd21c88 corrected some copy and paste errors 2012-04-11 14:12:30 +00:00
Martin Diehl 9a92d343dc added Onurs modified description for tausat in j2 law.
Polishing phenopowerlaw
2012-04-11 14:01:02 +00:00
Martin Diehl f2da887899 added missing ":" in mesh.f90, introduced absolute stress tolerance for spectral solver in numerics.config/numerics.f90 2012-04-11 12:57:25 +00:00
Krishna Komerla f20cecd421 integrated subroutine for regridding into mesh.f90 and made it available for python 2012-04-10 15:15:46 +00:00
Krishna Komerla d638c563af reworked python - fortran interfacing 2012-04-10 13:30:34 +00:00
Martin Diehl b17740c9c3 corrected misplaced line for linear guessing 2012-04-06 14:23:06 +00:00
Christoph Kords 79592d2f0f get debug info for spectral solver as well 2012-04-05 09:17:09 +00:00
Martin Diehl 990f547091 improved AL solver, now using guesses for P(x) to improve performance. Changes (and whole solver) still experimental 2012-03-31 12:41:46 +00:00
Christoph Kords 91a70b0fb3 before turning terminally ill report at which g,i,e crystallite did not converge 2012-03-30 13:16:45 +00:00
Martin Diehl c29ae95af7 new version of AL spectral solver (seems to work, but still experimental)
new concept of DAMASK for Python: Now using also IO.f90, debug.f90 etc. instead of mimicing their necessary function. This needs DAMASK_python.f90 and DAMASK_python_interface.f90 (At the moment more or less copies of respective spectral files).
polished and renamed the scripts for converging ang files
renamed voronoi_randomSeeding.py to spectral_randomSeeding.py
2012-03-29 19:54:31 +00:00
Martin Diehl 17826d7c98 now initializing planner flag for fftw with useful value even if init wasn't executed 2012-03-26 10:03:39 +00:00
Franz Roters 7947ae36b3 changed default value of err_div_tol 2012-03-22 10:33:54 +00:00
Franz Roters 00de182873 corrected if statement to check assembly of input files 2012-03-22 07:44:46 +00:00
Martin Diehl 44d8282863 corrected reading in of ABAQUS debug modes and made numbering scheme for debugging depending on variables hoping to prevent these errors in debug.f90
Put all (now public) logicals in FEsolving.f90 again into one specification statement
2012-03-21 18:04:52 +00:00
Martin Diehl 15dd860de9 new switch "SOLVER", set it to SOLVER=AL to compile the Augmented Lagrange version of the spectral solver 2012-03-21 18:01:25 +00:00
Pratheek Shanthraj 131c9ac93e dPdF calculations made consistent with constitutive_TandItsTangent 2012-03-21 15:00:36 +00:00
Franz Roters 8a2f2c5a95 stress iteration loop now uses generalized elasticity by calling TandItsTangent
the anlalytical tangent calculation should now be adopted to also use TandItsTangent
2012-03-21 10:57:27 +00:00
Franz Roters 8d8a8103eb lastIncConverged, outdatedByNewInc, and cutBack need to be public as well!
please keep in mind the FEM interfaces which also need to work!!!
2012-03-21 07:51:07 +00:00
Martin Diehl dbdc7ddfa2 debug.config, debug.f90, DAMASK_abaqus_exp.f, DAMASK_abaqus_std.f: changed to new debug scheme (wasn't working)
lattice.f90, FEsolving.f90: explicitly defined public functions and variables, all others are now private
numerics.f90: changed output format of real numbers, now instead of 0.1eX 1.0e(X-1) is printed to screen
Makefile: now using correct Optimization flags for OPTIMIZATION=AGGRESSIVE
DAMASK_spectral_AL.f90: improved, but still testing. Stress BCs now seem to be handled correctly
2012-03-20 18:01:31 +00:00
Martin Diehl 04d83ec9cd added "-assume byterecl" in Makefile for ifortran to specify with "recl=" the size of the file in bytes instead of 4byte chunk when opening files. (same as in gfortran per default).
no important changes in other files
2012-03-20 12:26:21 +00:00
Philip Eisenlohr 012d568cf8 slightly restructured divergence debug output 2012-03-19 16:41:55 +00:00
Martin Diehl 632d57cc31 corrected div calculation regarding dimension and resolution 2012-03-19 13:19:15 +00:00
Christoph Kords 5263366615 adding switch in material.config for short range stress correction 2012-03-15 14:58:12 +00:00
Christoph Kords 7330031579 corrected special treatment of periodic images in calculation of stress correction 2012-03-15 10:08:08 +00:00
Philip Eisenlohr d4463fe56a shifted location of elasticity part closer to plasticity... (constitutive has been shaken back and forth quite a bit today ;-] ) 2012-03-15 09:51:33 +00:00
Christoph Kords ea634d978a adapted comments to recent change 2012-03-15 09:47:32 +00:00
Franz Roters b7fc4fe6e4 fixed one last typo, now it finally compiles, sorry for this! 2012-03-15 09:42:33 +00:00
Franz Roters 4d90d90886 last comment also holds for this one 2012-03-15 09:25:15 +00:00
Franz Roters 70a44fbbdd constitutive models need to skip new keyword elasticity when reading their arameters 2012-03-15 09:22:24 +00:00
Christoph Kords 503f6ed040 i think it's elasticity not elaticity, right? 2012-03-15 08:46:51 +00:00
Franz Roters 36edb4dd9f introduced keyword elasticity in material.config
added constitutive_TandItsTangent and special version constitutive_hooke_TandItsTangent
those are however not yet used and need to be tested
2012-03-14 16:16:11 +00:00
Christoph Kords 9cbbb7cab5 Dead dislocations are treated the same as mobile dislocations for the flux part though they do not contribute to slip. By that the pileup of dead dislocations is able to diminish with time (kinetics are the same as for the glide part; this is not correct but gives valuable results). Also remobilization of dead dislocations at neighbor is taken into account for flux. 2012-03-14 15:32:50 +00:00
Christoph Kords 6bca2150f2 local stress correction of gradient in dead dislocations and neighboring excess density is additive 2012-03-14 15:24:19 +00:00
Christoph Kords 06c93435f2 viscosity term in kinetics law proportional to resolvedstress minus forest term 2012-03-14 15:18:36 +00:00
Pratheek Shanthraj c2f5cebacb simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for 2012-03-14 13:56:50 +00:00
Christoph Kords 2b5ed4ab93 corrected name of makefile (first letter upper case) 2012-03-14 11:58:05 +00:00
Christoph Kords d2652cae47 multiplication only controlled by screws 2012-03-13 14:19:36 +00:00
Franz Roters 433d8a338c missed several occurences of constitution 2012-03-12 14:43:19 +00:00
Franz Roters c9ed989dad replaced keyword constitution with plasticity in preparation of upcomming generalized elasticity 2012-03-12 14:09:37 +00:00
Martin Diehl efd653fb00 removed old *.output* and *.spectralOut as they are not updated anyway from reference.
introduced a numbering scheme for variants
calculated new reference results due to slight changes
2012-03-09 16:30:42 +00:00
Martin Diehl ac5dd14c5f removed some small bugs in IO.f90 (related to initialization of variables)
DAMASK_spectral.f90 adopted to new debug scheme, substituted print with write statements
2012-03-09 15:22:52 +00:00
Martin Diehl bd9667bd4b added new, flexible debugging scheme.
now all modules have their own debug specification.
compiles and runs, I hope nothing is broken
did a lot of polishing
2012-03-08 20:25:28 +00:00
Martin Diehl dec9451b1e first draft of the Augmented Lagrangian based algorithm, still experimental 2012-03-07 17:37:40 +00:00
Martin Diehl 2a7888c7e1 removed (in IO.f90) a dangerous initialization statement.
Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4
for more details.

Other files are just a little bit polished
2012-03-07 10:07:29 +00:00
Martin Diehl d00c3c9e19 added error for to IO to substitute stop statement in kdtree2
explicitly defined all functions in as either public or private in the modules to have a quick overview on all functions and parameters that are available
2012-03-06 14:52:48 +00:00
Pratheek Shanthraj 17e9698659 added time_sensitive flag to ignore or add time sensitive component to analytic jacobian (should be close to perturbed jacobian when ignored)
now uses sub_dt for analytic jacobian calculations
bug fixes
2012-03-01 19:42:43 +00:00
Martin Diehl df03dee91c improved readability, removed archive statements. With new option FASTBUILD=YES build without any warnings etc 2012-03-01 19:34:42 +00:00
Nan Jia 211f66a728 added elastic stiffness matrix as crystallite output 2012-03-01 13:06:09 +00:00
Pratheek Shanthraj 040e244993 Added stress-order terms to analytic stiffness 2012-02-27 17:40:28 +00:00
Pratheek Shanthraj 99d6dcecb5 fixed bug in calculation of analytic jacobian (should work much better now). parallelized analytic jacobian calculation loop 2012-02-24 14:07:46 +00:00
Martin Diehl f2ee67d03d disabled multi file optimization when setting OPTIMIZATION=OFF and improved comments on compiler switches 2012-02-24 13:38:15 +00:00
Franz Roters 1042ac018f output values used for Lp_frac and analyticJaco
improved comment for Lp_frac on numerics.config
2012-02-24 08:21:18 +00:00
Martin Diehl 478a6d110c mixed things up, did not want to commit constitutive_nonlocal.f90 but rather DAMASK_spectral.f90!!!!
did a lot of polishing on constitutive_nonlocal.f90 (mostly checked in at last commit), for changes on DAMASK_spectral.f90 see previous message
2012-02-23 17:20:57 +00:00
Martin Diehl a98832100f introduced itmin parameter for spectral code for defining minimum number of cycles
removed simplified_algorthim flag because the basic scheme using the polarization field will not be implemented
introduced divergence_correction flag for making divergence criterion resolution-independent (still experimental and not set by default)
corrected output and restart frequency (now modulo on incs of current load case)
2012-02-23 16:43:17 +00:00
Franz Roters 989a2b2d39 added default entries for Lp_frac and analyticJaco 2012-02-23 10:53:15 +00:00
Pratheek Shanthraj 28d654d61e forgot to remove some print statements in previous commit 2012-02-22 20:22:54 +00:00
Pratheek Shanthraj b9a82156c9 crystallite.f90: can now calculate analytic jacobian by setting analyticJaco = 1 in numerics.config
math.f90: added math_mul3333xx3333…

numerics.f90: to read in analyticJaco and Lp_frac
2012-02-22 20:11:09 +00:00
Christoph Kords 9bf5b9dc86 dotState=NaN enforces cutback, if evolution rates lead to negative densities 2012-02-22 16:08:22 +00:00
Martin Diehl 21db79ce25 automated copyright information seems to be very complicated, not working yet 2012-02-22 14:06:28 +00:00
Martin Diehl e25f605838 still trying to add copyright information by keyword via svn 2012-02-22 13:56:03 +00:00
Martin Diehl 20fdd302d7 trying to add copyright information by keyword via svn 2012-02-22 13:47:39 +00:00
Martin Diehl ca401292e7 2012-02-22 13:46:33 +00:00
Martin Diehl ca59c9936f trying to add copyright information by keyword via svn 2012-02-22 13:43:35 +00:00
Martin Diehl b0e2707a94 trying to add copyright information by keyword via svn 2012-02-22 13:40:03 +00:00
Martin Diehl d68a3d1869 added LF=UNIX to a bunch of files 2012-02-22 13:30:00 +00:00
Martin Diehl d8ffc29236 again: adding pInt, removing redundant use statments, chang in dble to real(,pReal) 2012-02-21 16:31:37 +00:00
Martin Diehl 9dc730dea4 now getting path separator by counting slashes and backslashes in $PATH environment variable 2012-02-21 16:04:16 +00:00
Martin Diehl 79663a7f76 polishing: adding pInt, removing unused use-statements etc 2012-02-21 16:00:00 +00:00
Martin Diehl 23cda48709 cleaning up, removing includes not needed 2012-02-21 15:42:47 +00:00
Martin Diehl 87a83d82b7 changed assumed arrays (:) to properly defined ones (gfortran 4.7 was complaining) and remove use statements that are not needed 2012-02-21 15:39:36 +00:00
Christoph Kords 8dc6e256c0 choose textures and phases of example materials according to what the labels suggest 2012-02-21 13:16:59 +00:00
Christoph Kords 97b2240fe9 take absolute dislocation velocities when testing Courant-Friedrichs-Lewy condition 2012-02-21 13:11:47 +00:00
Martin Diehl 6c0f9d163b polishing: removed variable names like 'unit' and 'data' that are keywords of fortran and ensured that integer and real precision matches independent of machine standard.
removed cut_off parameter for damask_spectral
removed outpot of derived divergence measures and added RMS output in brackets
added comments and options to the makefile
2012-02-15 18:58:38 +00:00
Nan Jia db06c797cd store number of outputs for each instance of the constitution in constitutive_[j2/titanmod/...]_Nouput and use this value to loop over all valid outputs when determining the size of the outputs array 2012-02-14 15:19:59 +00:00
Martin Diehl 49a964aeda removed public statement in derived data type causing trouble on older compilers 2012-02-14 13:56:35 +00:00
Martin Diehl 8f22d5a324 corrected geometry reconstruction (fluctuations were scaled wrong) and translated some comments from german to english 2012-02-14 13:43:36 +00:00
Martin Diehl d9522bf588 minor changes, substituting implicit type conversions with explicit ones 2012-02-14 12:17:47 +00:00
Christoph Kords 30c55c3142 added check for unknown keywords again (in agreement with Philip ;-)
indeed 'constitution' and '/nonlocal/' are the only keywords which have to be ignored, since they are parsed elsewhere
2012-02-14 09:22:37 +00:00
Philip Eisenlohr 9b73cb3c65 removed parameter check complaining about unknown keyword as default case. there are just too many keywords that do not trigger a variable assignment to cope with them (e.g. /nonlocal/, constitution, etc.)
I suggest to kill similar logic from other files if present somewhere...
2012-02-13 23:30:59 +00:00
Christoph Kords c786336af3 reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore.
all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 17:41:27 +00:00
Martin Diehl dd51e1da81 changed calculation of gamma_hat back to (working, but theoretically wrong) order 2012-02-13 17:15:02 +00:00
Krishna Komerla 94100e8d8e missing line break 2012-02-13 15:21:03 +00:00
Martin Diehl 156ec4582a polishing, adding _pInt etc. where applicable
post_results now handels zero increment different (like FEM, it is always there even if it is not counted)
2012-02-13 14:18:07 +00:00
Martin Diehl f03e7c459c small polishing, exchanged stops in math.f90 with calls to IO_error 2012-02-13 14:08:07 +00:00
Martin Diehl a6864bf599 added missing 'dotF' 2012-02-13 12:41:44 +00:00
Martin Diehl df07299f78 fixed bug concerning calculation of gamma operator and improved output to screen 2012-02-13 12:38:46 +00:00
Philip Eisenlohr fa32a00d56 changed symmetryID initialization to integer (instead of float) value 2012-02-10 17:46:43 +00:00
Philip Eisenlohr b211c13487 added "dotF" synonym to load case parsing. 2012-02-10 17:45:45 +00:00
Martin Diehl 1cc2315954 restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing
makefile now calls compiler with lot of warning flags
2012-02-10 11:59:59 +00:00
Martin Diehl 37ac7bf1b4 fixing inconsistencies in variable assignments 2012-02-10 11:56:05 +00:00
Martin Diehl cff66b5cc3 removed implicit type castings 2012-02-10 11:24:53 +00:00
Christoph Kords 26b4f886ba whoops, accidentally removed _pInt in the IO_error calls which where previously added by Martin 2012-02-10 07:58:33 +00:00
Christoph Kords ff53b9754b somewhat better readable format without as much linebreaks 2012-02-10 07:50:29 +00:00
Martin Diehl 7a23833a39 removed line>132 characters, added _pInt when calling IO_error 2012-02-09 17:28:55 +00:00
Martin Diehl 0e2894f2b1 corrected handling of highest frequencies, polished and checked for standard compliance 2012-02-09 15:58:15 +00:00
Martin Diehl 724ec040a2 added pInts and pReals 2012-02-09 15:55:04 +00:00
Philip Eisenlohr dced3f9430 changed FFT reporting of dimension and resolution to one line each. 2012-02-09 13:18:59 +00:00
Martin Diehl 195491aaaa added missing pInts 2012-02-09 12:35:55 +00:00
Martin Diehl a26456f9c0 now handling capitals in restart argument correctly 2012-02-09 12:20:14 +00:00
Christoph Kords e7d407c2f6 crystallite_Fp has to be initialized in crystallite_init, cause it is used by constitutive_microstructure 2012-02-03 14:52:09 +00:00
Christoph Kords 5ddade27fc changed Peierls stress to more realistic values for fcc 2012-02-03 13:12:45 +00:00
Christoph Kords d62eddc0cd corrected kinetics law and changed parameters. For solid solution hardening there are 3 parameters: the activation energy, the concentration of obstacles that determines the activation length and meanfreepath, and the obstacle size that determines the activation volume. For the Peierls mechanism there is: the width of doublekinks that determines the activation volume and the Peierls stress for edge and screw.
Still testing needed to check whether the current formulation makes sense or not.
2012-02-03 12:50:54 +00:00
Christoph Kords bbf4f25898 renamed subroutine "mesh_marc_get_mpieOptions" to "mesh_get_damaskOptions" which is now also used for abaqus and spectral input files. The only available option so far is "periodic", which allows for periodic fluxes in the specified direction. Examples for usage (add the following lines to the respective input file, in case of spectral file this goes into the header):
- periodicity in x and z direction for marc:
   $damask periodic x z  
- periodicity in y direction for abaqus:
   **damask periodic y
- periodicity in x and y direction for spectral:
   periodic y x
2012-02-03 12:37:52 +00:00
Krishna Komerla 7e23f84d2c new subroutine find_nearest_neigbor, basically a wrapper function for our purpose to kdtree2
split up kdtree2.f90 again from math.f90 to make the files better accessible
2012-02-02 15:57:22 +00:00
Martin Diehl 72aeb2113a minor improvement on the still not working long (polarization field based) algorithm 2012-02-02 13:20:09 +00:00
Martin Diehl faed4ec232 added deallocation of arrays (fftw_free) 2012-02-02 13:19:35 +00:00
Martin Diehl 2e4f2f3d9c added _pInt where appropriate 2012-02-02 13:19:02 +00:00
Martin Diehl 683384681a doing average correction now in Fourier space, now sure that the constant term is correct.
changed order of stress BC calculation/spectral method to avoid average calculation of stress in real space
2012-02-01 20:30:27 +00:00
Martin Diehl c6fb2122be added some comments for further debuggin/compliance with standard checking 2012-02-01 20:28:58 +00:00
Martin Diehl c5128e94eb some f2008 standard related correction i didn't check in last time 2012-02-01 20:20:05 +00:00
Martin Diehl 800e291240 made code standard conform to Fortran 2008 (ignoring warning concerning comments beyond character 132). Basically, changing "x" format specifier to "Nx" ("1x") plus removing $ format specifier
added compiler switches for gfortran and ifort to check for standard conformity
old gnu compilers <4.4 are not longer supported because they don't provide the c binding for fftw
2012-01-31 19:18:55 +00:00
Martin Diehl 80583fefb5 added compilation_info.f90, to store compilation date,time and compiler info in each file
added #include statement at each init() routine
2012-01-31 14:54:49 +00:00
Martin Diehl 8cf67e1be6 corrected weighting of difference divergence measures, added some additional output and introduced exit code 0 for successful termination. 2012-01-30 20:25:04 +00:00
Martin Diehl 9464937db7 merge declaration and initialization with standard values
corrected handling of $DAMASK_NUM_THREADS
2012-01-30 20:16:19 +00:00
Martin Diehl eeda357710 N^2 initialization loop (former spectralPictureMode) rewritten in material.f90
additional output in DAMASK_spectral_interface.f90 
132 character cut off in constitutive_nonlocal.f90
rounding error in math.f90 complex number initialization (1.0_pReal)*2.0_pReal*pi
new $DAMASK_NUM_THREADS warning in numerics.f90 / IO.f90
polishing in DAMASK_spectral.f90
2012-01-30 13:52:41 +00:00
Christoph Kords 4edd824d8c forgot homogenization.f90 in last commit 2012-01-26 13:51:01 +00:00
Christoph Kords 1330576a01 added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor
renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 13:50:00 +00:00
Christoph Kords df931890e0 corrected typos 2012-01-26 12:50:04 +00:00
Christoph Kords 6fec57bbd7 replaced variable fraction by "timefraction" 2012-01-26 12:48:59 +00:00
Christoph Kords 5a658d1b82 dislocation velocity output for each dislocation type (edge+,edge-,screw+,screw-)
for fcc constitutive_nonlocal_kinetics is called only once and the result is used for each dislocation type, for all other lattice structures we have one call for each dislocation type
2012-01-26 07:43:36 +00:00
Christoph Kords e5407894b5 Reworked kinetics. Now there is a universal law which can be used for both fcc and bcc (and probably even hcp). It mainly consists of an athermal forest cutting part , solid solution and peierls as thermally activated processes, and viscous glide. Therefore, lots of new parameters in the material.config. Not sure yet if the values make sense though.
Also renamed some of the old parameters. 

Unknown constitutive output raises error.
2012-01-25 17:04:37 +00:00
Martin Diehl e6495c986b corrected order of arguments for calling functions from python, small polishing in math.f90 (substituting manual summation by sum() ) 2012-01-25 14:31:21 +00:00
Martin Diehl fa372523a8 added and restructured comments
debugGeneral = .true. now enables the additional output
restructured the debug options
started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config
corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 14:27:26 +00:00
Martin Diehl 884249aba8 removed hint how to patch fftw, added flag for gfortran to check if maximum length of source files do not exceed 132 characters 2012-01-25 14:24:08 +00:00
Martin Diehl bd48620de2 improved Curl_fft, corrected Divergence_fft and added math_skew3x3 2012-01-25 10:30:39 +00:00
Martin Diehl e7ac99eeca for spectral solver, --restart XX sets restartReadInc to XX-1, meaning restartReadInc is the step to read and XX the step at which the calculation begins 2012-01-25 09:05:38 +00:00
Martin Diehl 656d7a68d2 one new error message for spectral solver 2012-01-25 09:00:40 +00:00
Martin Diehl 3e521e32a6 indroduced 3 more flags for fine control of spectral algorithm 2012-01-25 08:56:46 +00:00
Martin Diehl 52a43c3b32 improved help output and corrected triggering (-h, --help) of help 2012-01-25 08:54:37 +00:00
Philip Eisenlohr 0cb90d4926 corrected debug_verbosity glitch (missed ">0" in logical expression) 2012-01-23 13:32:37 +00:00
Christoph Kords 4980f57fd5 added total Green-Lagrange strain to crystallite outputs 2012-01-20 10:25:35 +00:00
Philip Eisenlohr 43bd667f78 switched array indices of curl_fft in accordance with math.f90 2012-01-19 20:39:33 +00:00
Philip Eisenlohr a13aeb045f corrected curl_fft subroutine 2012-01-19 20:38:52 +00:00
Christoph Kords 1032ff3d47 corrected definition of element base node, which was still flawed 2012-01-19 14:15:26 +00:00
Christoph Kords 6c2a61e489 corrected node coordinates and sorting for spectral method 2012-01-17 16:53:56 +00:00
Christoph Kords 8739b9522e dislocation stress does not add to stress field anymore, but is only available as constitutive output for purposes of postprocessing. instead, we now use a backstress term (which is added to the resolved shear stress) that depends on the gradient of excess density on the same slip system. 2012-01-17 10:26:57 +00:00
Philip Eisenlohr ab7b9247c7 final merge with edits dropped intermediately from rev 1190. 2012-01-16 15:10:16 +00:00
Martin Diehl 3a22bf7e27 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 16:18:16 +00:00
Martin Diehl c644b2c24d corrected rectifyPath function (did not work in case of more than one /../..) 2012-01-13 15:22:42 +00:00
Martin Diehl 2259f44cb1 added parameter for debugging of FFTW in spectral method 2012-01-13 15:21:24 +00:00
Martin Diehl 07186e0751 added output of precision to init 2012-01-13 15:20:29 +00:00
Philip Eisenlohr f3bb2271c9 parsing of spectral geom file now accepts two-dimensional microstructure definition (plus range indications by 'x to y')
For instance:
1 2 3 4
5 6 7 8
9 10 11 12
...
2012-01-12 17:01:24 +00:00
Pratheek Shanthraj 11c71aae86 bugfix release 2012-01-12 16:31:23 +00:00
Philip Eisenlohr 83ff05c8e8 fixed bugs (sorry...) 2012-01-12 15:08:44 +00:00
Pratheek Shanthraj 2ea3c68d3f removed spectralPicturemode 2012-01-12 10:36:17 +00:00
Philip Eisenlohr 7103a44d45 renamed debug variables, plus additional "beautification".
renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 10:23:05 +00:00
Philip Eisenlohr a7d9d711f6 edited lines exceeding 132 chars (before any comment started) 2012-01-11 16:56:35 +00:00
Martin Diehl c54600fd1f 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 17:43:26 +00:00
Martin Diehl ee401520d7 corrected divergence calculation. Still some open questions, but improved understanding a lot 2011-12-23 12:30:35 +00:00
Martin Diehl 6dee2616f5 added help info how to use the executable 2011-12-23 12:29:04 +00:00
Martin Diehl 99fa0e0be8 corrected calculation of curl (last version was more a dummy function) 2011-12-23 12:23:13 +00:00
Philip Eisenlohr e62d083f7a removed (virtually) dead single-precision branch of the spectral solver. 2011-12-22 13:19:27 +00:00
Philip Eisenlohr 35bd460e39 added "core" package capability to processing
(renamed former f2py modules)

reverted pathinfo...
2011-12-22 10:36:59 +00:00
Krishna Komerla f463c2da70 added addCurl.py, not sure if it works correctly. still in old (eq. to addDivergence.py) style 2011-12-21 17:25:31 +00:00
Philip Eisenlohr b0ba5f7ba3 code setup now takes BLAS in order of precedence from IKML, ACML, and LAPACK.
Leave pathinfo blank for BLAS-options that are not available (like IKML typically)
2011-12-20 10:58:51 +00:00
Franz Roters c4a4c5cdca corrected error in apply_DAMASK_modifications
added support for Marc/Mentat2011 (classic)
2011-12-19 16:06:03 +00:00
Philip Eisenlohr 739c524848 makefile substitution now based on regexp match.
condensed makefile syntax.
can now use a system-defined LAPACK instead of ACML (required for OS X...).
fixed bug that 'ULTRA' was not using -O3 for most of the compiling...
2011-12-16 09:11:03 +00:00
Philip Eisenlohr a8dece8694 adopted use of general damask package ("import damask" instead of "damask_tools") 2011-12-15 08:52:41 +00:00
Christoph Kords b2547e0117 Math inversion used to return zero (math_inv3x3) or error (math_invert3x3) for negative determinant. Now checking whether the absolute(!) value of the determinant is close to zero to avoid singularities, negative determinants are very well allowed. 2011-12-14 08:55:24 +00:00
Martin Diehl 031a00237f improved makefile, no directly linking to files of acml
corrected default pathinfo
improved test for intel compiler
2011-12-09 16:34:53 +00:00
Martin Diehl 7d1d2b6229 corrected small mistake in setup_code and makefile
test no. 1500, spectral compile test with intel compiler is now working. adjusted run_test and tamask_test
2011-12-09 15:13:27 +00:00
Philip Eisenlohr 2ceb78c337 introduced new damask_tools method "relPath" and adopted it in setup_processing.py and setup_code.py 2011-12-06 18:38:03 +00:00
Martin Diehl ea0fe7b406 corrected 3D visualize (math.f90 part was not working)
small polishing of voronoi_tessellation.f90
2011-12-06 17:46:33 +00:00
Martin Diehl 5ebeb96e85 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 16:58:17 +00:00
Philip Eisenlohr efadf9f728 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 10:01:32 +00:00