Commit Graph

1039 Commits

Author SHA1 Message Date
Martin Diehl 138e9c43eb some comments (talking to Ricardo) 2011-02-25 16:24:23 +00:00
Martin Diehl a6d1e5c911 now deleted old _single files 2011-02-25 12:49:18 +00:00
Martin Diehl 8cae4d609a some polishing for single precision version.
Now only prec and mpie_spectral are needed in different versions
2011-02-25 12:41:46 +00:00
Christoph Kords ad4706673b * removed calculations for dipole formation/dissociation by stress change, since it is not used anyways; also removed associated constitutive outputs from material.config
* removed input variables in constitutive_collectDotState and constitutive_postResults that are not needed anymore (because of recent changes in constitutive_nonlocal)
2011-02-25 09:53:20 +00:00
Martin Diehl cd5407b08b removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used.
Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90.
For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 09:25:53 +00:00
Christoph Kords 2f503f5cdb added "Lp" as crystallite output 2011-02-25 08:15:26 +00:00
Christoph Kords e022810e66 fixed problem in internal stress calculation for periodic neighborhood 2011-02-25 08:10:11 +00:00
Martin Diehl f525c02ded added single precision libraries for FFTW
First try of implement single precision crystal plasticity, not working yet.
polishing text about geometry construction.
polishing postResults, still having problems concerning machines without MSC installation
2011-02-24 18:39:57 +00:00
Christoph Kords e49e5e13af * in flux calculation: take care of special case for single element model
* do not overwrite "constitutive_nonlocal_rhoDotFlux" when doing a state perturbation, so we can use it for output
2011-02-24 10:01:41 +00:00
Christoph Kords 8aef9b1c13 check for twin nodes only in direction of the surface normal. this solves a problem with models of single element thickness and periodic fluxes. 2011-02-24 09:26:30 +00:00
Christoph Kords fed53a7e60 in subroutine "mesh_marc_get_mpieOptions": need at least one additional string after keywords "$mpie" and "periodic", not two as it used to be 2011-02-23 12:33:51 +00:00
Christoph Kords 430966eb20 sorry, forgot to commit the numerics.f90, too 2011-02-23 12:30:52 +00:00
Christoph Kords 96d3682d5e * new global integer variable "numerics_integrationMode" (1 indicating integration of central solution, 2 indicating integration of perturbed state)
* combined "integrator" and "integratorStiffness" in new global variable "numerics_integrator"
2011-02-23 08:29:51 +00:00
Christoph Kords d835380bc0 * "constitutive_nonlocal_flux" is set to zero in "constitutive_nonlocal_dotState", not in "constitutive_nonlocal_microstructure"
* dislocation flux and internal stress calculation now consistent with new definition of slip system lattice according to paper (polarity of screws inverted)
2011-02-23 08:08:06 +00:00
Martin Diehl 3c944e79fa did some things Philip told me to do (postResults for spectral files is now working without MSC installation) 2011-02-22 16:18:47 +00:00
Philip Eisenlohr 003b0def46 fixed a stupido error 2011-02-22 16:06:24 +00:00
Martin Diehl 333445be8b changed meshing routine from python to fortran (f2py) 2011-02-22 16:00:22 +00:00
Philip Eisenlohr 2dc3b35725 no need anymore for msc python interface when dealing with spectralOut files 2011-02-22 15:57:27 +00:00
Martin Diehl 8a5e28d5a6 now using fft reconstruction in 3Dvisualize, linear python code for reconstruction is removed 2011-02-21 21:03:21 +00:00
Martin Diehl c399a06c97 tried to implement an inverse reconstruction, meaning to calculate an average deformation gradient from the 8 cornes of a node in reference and current configuration. Not working yet.
polishing, mainly in fft reconstruction.
added fftw library file and fortran file for type specification
added folder references with literature for visualization/geometry reconstruction
2011-02-21 16:30:18 +00:00
Martin Diehl 8dd1a694a3 extended IO to cope with different name for solverJob and Model
polishing, added error codes
added FFTW library files
2011-02-21 14:37:38 +00:00
Philip Eisenlohr 34336bc659 fixed bug when no argument was supplied 2011-02-18 09:02:29 +00:00
Christoph Kords b21c153761 restructured constitutive_nonlocal_compatibility and incorporated the "surfaceTransmissivity" in the compatibility calculation 2011-02-16 16:38:18 +00:00
Christoph Kords 24d33bf2ff * added a new material parameter "surfaceTransmissivity" (default value 1.0) which allows to change the transmissivity of the material surface between 0 and 1
* now complaining when encountering an unknown nonlocal parameter in material.config
* use same error ID for all material parameters out of bounds
* symmetric flux calculation in side dotState can now be omitted (because of new treatment of periodicity)
* switching back to "local flux balance" (add leaving and entering fluxes at central MP, don't touch neighbor) instead of "flux distribution" (subtract leaving fluxes from central MP and add them at neighboring MP). This has the advantage that there is almost no need for CRITICAL statements in parallelization, so hopefully this results in some speed up.
2011-02-16 16:35:38 +00:00
Christoph Kords 8f626c8989 Now able to have real periodicity for fluxes (fluxes leaving the model on one side enter on the other side).
To enable this feature one has to add the following somewhere in the marc input file:
   $mpie periodic x y z
      for having periodicity in all directions
   $mpie periodic z x
      for having periodicity in x and z direction
   etc.
Note that this only works for regular meshes!!!
2011-02-16 16:23:08 +00:00
Alankar Alankar 89ed6f5f66 Did not compile. Fixed missing , 2011-02-15 12:29:01 +00:00
Alankar Alankar c39e04644b Sorting of hex slip-systems done in update 659 was missing. Included again. 2011-02-15 12:21:54 +00:00
Martin Diehl 438bf95105 added ft-based reconstruction of deformed configuration to postprocessingMath.f90 and postprocessingMath.pyf
also added function to calculate average of tensor
some polishing in mpie_spectral.f90, added sanity check to see im resolution is power of 2
2011-02-14 17:21:31 +00:00
Franz Roters cdeb786721 added default path of ACML
BLAS now also works on msuws2
2011-02-14 15:03:45 +00:00
Franz Roters bf2082a15b marc run scripts now link against ACML (AMD Core Math Library) to enable use of BLAS routines
ACML has certainly to be installed first (currently on msuws1 only) and is included for this purpose
2011-02-14 14:25:16 +00:00
Philip Eisenlohr 874d5067c7 switches drawing of servo links temporarily off to speed up processing. 2011-02-11 11:29:58 +00:00
Philip Eisenlohr 171f5375f1 shearrate output now with sign (no |abs| as before) 2011-02-11 10:19:41 +00:00
Martin Diehl 3d7fad6ba9 mpie_spectral.f90: changed fourier transormation, now using the advanced interface to do the tranformation both ways with just one call. now also using the same variable for pk-stress in both domains and the change of deformation gradient in both domains.
postprocessing: renamed name of python/f2py modul from "reconstruct" to "postprocessingMath", added some numerical operations to use for postprocessing.
2011-02-09 17:47:28 +00:00
Christoph Kords 803e1a8c05 In order to help preventing further memory leaks all array sections now have an explicit instead of assumed shape, e.g. Fe(1:3,1:3) instead of Fe(:,:). 2011-02-09 13:12:46 +00:00
Philip Eisenlohr 65ae7de42b fixed bug for missing file name 2011-02-09 09:18:21 +00:00
Christoph Kords 466ced911e * check convergence for nonlocals also in stiffness calculation mode 2011-02-09 08:39:07 +00:00
Christoph Kords 921967c2ba * found memory leak in nonlocal model! "constitutive_nonlocal_rhoDotFlux" has to have upper index bound of 10 for second dimension, not 8.
* need to recalculate dislocation velocity in postResults, otherwise we take values of last perturbed state! So the following outputs were up to now showing the perturbed state: shearrate, dislocation velocity, all density rates!
2011-02-09 08:28:47 +00:00
Christoph Kords 17a6c0e59b enhanced comment on dislocation kinetics 2011-02-08 12:48:50 +00:00
Christoph Kords 6731659aa4 added hint that extreme values of stress and tangent belong to previous cycle 2011-02-08 12:43:30 +00:00
Christoph Kords 0a30fb739a now reporting extreme values of stress and tangent, that were returned to marc, in output file 2011-02-08 10:25:51 +00:00
Martin Diehl 7a7ca1aab7 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 14:35:42 +00:00
Christoph Kords faba13f7fd * now able to introduce some scatter in the initial single dislocation density (only for nonlocal model!) ; setting the parameter "rhoSglScatter" to a positive value generates a gauss distribution for the dislocation density with standard deviation equal to "rhoSglScatter"
* dislocation stress calculation is only done for nonlocal constitution ("/nonlocal/" keyword is present in material.config)
2011-02-04 15:41:32 +00:00
Philip Eisenlohr 6511b4b5a2 added possibility to select predefined colorscheme from config file 2011-02-04 09:36:26 +00:00
Alankar Alankar b362755457 grain orientation shuffling was skipped for /elemhomo/. no clue why, now dropped... 2011-02-03 17:25:58 +00:00
Philip Eisenlohr 05350d573e fixed a bug in new --sort
--separation option now keeps data point location as intact as meaningful after applying averaging
2011-02-01 18:32:20 +00:00
Martin Diehl 669893b397 binary \n will not longer cause problems 2011-02-01 18:25:40 +00:00
Philip Eisenlohr 9d2b1aa942 specified line endings and activated $Id$ 2011-02-01 16:43:58 +00:00
Philip Eisenlohr 14d3d0ba99 less output but can now handle 'n/a' in data files without crashing 2011-02-01 16:43:00 +00:00
Philip Eisenlohr ebf201e89c sorry---wrong file version uploaded before.
now correct: added "--sort" option extending the existing sorting according due to "--separation". This is, for instance, useful for separating /elementhomogeneous/ results by element and later listing the results along x,y,z...

slight improvement in file-error reporting
2011-02-01 13:24:19 +00:00
Philip Eisenlohr 958c51fc26 added "--sort" option extending the existing sorting according due to "--separation". This is, for instance, useful for separating /elementhomogeneous/ results by element and later listing the results along x,y,z... 2011-02-01 13:13:05 +00:00