Commit Graph

178 Commits

Author SHA1 Message Date
Martin Diehl 755e0e2440 vtk files are now correctly written to current working directory.
updated Lib_VTK_IO.f90
2013-05-08 16:10:21 +00:00
Martin Diehl 85d4a37d95 moved public data res,size and homog from mesh to DAMASK_spectral_utilities (as grid and geomSize) 2013-05-08 15:52:29 +00:00
Martin Diehl 2ba986be2a introduced new dummy module "libs" for inclusion of further library sources. contains kdtree2 and Lib_VTK_IO at and is enabled for the spectral solver only at the moment 2013-04-16 12:45:12 +00:00
Christoph Kords d80d416c32 2d elements now have a volume corresponding to a thickness of 1; used to have zero volume
now also 2d elements can be used with nonlocal model
2013-04-09 18:07:30 +00:00
Martin Diehl 39a70e8a19 fixed bug in coordinate calculation when no average F was given (scaled wrong by ncp_elems**2)
other changes: just polishing + some more comments
2013-03-27 12:28:55 +00:00
Christoph Kords e25af5db04 added function for finding the (non-periodic) nearest neighbor 2013-03-27 10:14:44 +00:00
Franz Roters 02f092492e updated copyright header 2013-03-22 17:35:05 +00:00
Martin Diehl b9e0326240 added function to calculate the gradient, addGradient.py will follow 2013-03-07 07:58:42 +00:00
Martin Diehl 1ce6028ad3 simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver 2013-03-06 19:34:30 +00:00
Martin Diehl 7e0ea5dd04 hickups in doxygen documentation fixed 2013-03-05 14:35:26 +00:00
Pratheek Shanthraj 07ff1f7c93 reporting current time for most module inits 2013-02-25 16:34:59 +00:00
Philip Eisenlohr d8da2f60d8 added core module function math_periodicNearestNeighborDistances 2013-02-19 14:56:26 +00:00
Martin Diehl c7c81a5ab5 removed unused variables and declared external functions as external 2013-02-11 09:44:17 +00:00
Martin Diehl c2495d0d4a changed misplaced private to public statement and renamed qsort to math_qsort 2013-02-01 07:26:21 +00:00
Martin Diehl e74b5da19a changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.)
changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0)
enabled 3D visualize to work with odd resolution by switching to linear reconstruction
PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case
further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 16:28:08 +00:00
Martin Diehl 093cf92338 remove omp statements during initialization, "line" for reading in from material.config now has a default (empty) value to prevent conditional jump depend on this value 2013-01-08 22:11:59 +00:00
Martin Diehl 19d86ca06a removed unnecsessary omp statements, removed one transpose in constitutitve 2013-01-08 11:09:20 +00:00
Martin Diehl b1f28ba5e7 made restart working for all solvers and added corresponding test
corrected error handling for FFT based function in case of odd numbers etc.
2012-12-14 17:30:22 +00:00
Philip Eisenlohr 1e32eb560e corrected buggy calculation of Schmid matrix for twins introduced in rev1809.
(stress acting on twin systems was overestimated by factor of sqrt(3) due to that!!)

additional polishing.
2012-11-23 17:02:50 +00:00
Martin Diehl 11ed7fab86 corrected bug in curl calculation causing the output of transposed tensor (according to information stored in testing/9102/proof/Curl of Tensor - Physics Forums.pdf)
addCurl test is now done against analytical solution and working, added it to list of automated tests.
small improvements on test.py
2012-11-23 15:16:51 +00:00
Philip Eisenlohr 7d196fbb25 polishing 2012-11-22 09:58:36 +00:00
Philip Eisenlohr 1b2edd7e7d fixed error in _identity (wrong delta-function)
added _exp33 for matrix exponential
added trace33 for matrix trace
2012-10-12 17:54:20 +00:00
Martin Diehl 22812c9a91 some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4
new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing)
updated preprocessing for documentation to handle precision correctly
2012-08-30 20:26:28 +00:00
Martin Diehl 299d9e6bc4 fixed bug in seed initialization that didn't allow to redo calculations that started with a random seed. Now the whole random seed array is set to one value, previously only the first one was reported and the remaining ones were random
removed old random function used by halton
2012-08-30 14:58:30 +00:00
Martin Diehl 0959ff3299 substituted hand written matrix inversion by LAPACK version with precision selection.
also introduced check for inversion into DAMASK_spectral_Utilities.f90 for the stress BC calculation. This part is further improved by using 5% of the reference stiffness to avoid trouble in the fully plastic regime (where the stiffness is underestimated)

Test for Marc 2010 is updated because the new inversion give slightly different results near 0 (order of e-13)
2012-08-28 16:59:45 +00:00
Martin Diehl efd1b513cf fixed bug in divergenceFDM 2012-08-27 15:43:17 +00:00
Martin Diehl 96ba5ecae4 moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90
f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7!
changed python pre- and postprocessing scripts.
If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 08:04:47 +00:00
Martin Diehl 55a5112f36 added comments for doxygen documentation 2012-08-25 11:46:36 +00:00
Martin Diehl 405c3765bd fixed bug in fiber texture component caused non-even distribution by correctly getting numbers of the halton sequence 2012-08-24 13:27:55 +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
Philip Eisenlohr 4d09ef0648 changed variable name "debug_what" to "debug_level" 2012-07-05 09:54:50 +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
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
Franz Roters f8f9c089d6 check for NaN in math_QuaternionInSST 2012-05-11 07:37:32 +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 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
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
Krishna Komerla 83e89fba3c improved regridding, especially interfacing to python (also for nearest neighbor search) 2012-04-24 17:02:27 +00:00
Krishna Komerla d638c563af reworked python - fortran interfacing 2012-04-10 13:30:34 +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 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
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
Martin Diehl 23cda48709 cleaning up, removing includes not needed 2012-02-21 15:42:47 +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
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
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 f03e7c459c small polishing, exchanged stops in math.f90 with calls to IO_error 2012-02-13 14:08:07 +00:00
Martin Diehl cff66b5cc3 removed implicit type castings 2012-02-10 11:24:53 +00:00
Martin Diehl 0e2894f2b1 corrected handling of highest frequencies, polished and checked for standard compliance 2012-02-09 15:58:15 +00:00
Philip Eisenlohr dced3f9430 changed FFT reporting of dimension and resolution to one line each. 2012-02-09 13:18:59 +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 faed4ec232 added deallocation of arrays (fftw_free) 2012-02-02 13:19:35 +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 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 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
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 bd48620de2 improved Curl_fft, corrected Divergence_fft and added math_skew3x3 2012-01-25 10:30:39 +00:00
Philip Eisenlohr 0cb90d4926 corrected debug_verbosity glitch (missed ">0" in logical expression) 2012-01-23 13:32:37 +00:00
Philip Eisenlohr a13aeb045f corrected curl_fft subroutine 2012-01-19 20:38:52 +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 99fa0e0be8 corrected calculation of curl (last version was more a dummy function) 2011-12-23 12:23:13 +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 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
Martin Diehl ace6851389 moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly.
polished math.f90 (mainly added _pInt/_pReal and intent(in/out))
curl_fft is still a dummy function
2011-12-01 12:01:13 +00:00
Martin Diehl ee7022d8cf correctet random seed generation to work with gfortran. 2011-11-04 10:29:35 +00:00
Martin Diehl 15c356c3a7 some small improvements regarding the rotation of the loadcase frame 2011-10-25 13:38:24 +00:00
Martin Diehl c13aa2a829 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 18:26:34 +00:00
Martin Diehl 8ac1891b3c moved DAMASK_NaN to prec.f90 respectively prec_single.f90 as it is precision dependent 2011-10-20 16:46:11 +00:00
Martin Diehl 7604a8aeb4 corrected calculation of NaN, renamed variable to 'DAMASK_NaN'
!incremental update, wait for commit of damask_spectral.f90 before checking out
2011-10-18 09:21:38 +00:00
Franz Roters 8edb59d50c removed some unused variables 2011-09-26 09:55:38 +00:00
Franz Roters ee83904548 added math_spectralDecompositionSym3x3 used by shear band model 2011-09-14 13:26:00 +00:00
Martin Diehl 0469d37fc3 cleaned and restructured output on screen, changed L_inf norm to L_2 for calculation of error in Fourier space.
removed unnecessary function from math.f90
added some documents/manuals regarding spectral method
2011-08-31 14:37:01 +00:00
Martin Diehl 8f90f1f1f9 corrected description of algorithm to invert matrix 2011-08-30 07:29:13 +00:00
Martin Diehl 4fb1cb8f87 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 14:06:37 +00:00
Martin Diehl f99bf63397 removed functions added for debugging of divergence calculation to math.f90
corrected calculation of stress BC condition. Depending on given BC, the stiffness matrix is reduced and than inversed. Then it is filled with zeros and used for the calculation of the correct change of deformation gradient. All calculation is done using dP/dF
2011-08-10 17:45:37 +00:00
Martin Diehl 34de2e301b DEBUGGING VERSION for calculation of Divergence (various methods implemented). DO NOT USE. Wait for next update coming in a few minutes 2011-08-10 16:02:13 +00:00
Martin Diehl 3adb7ab382 corrected makefile, now working again without giving standard values explicitly.
did some small modification in order to make it possible to compile with gfortran. Changed NaN=0.0/0.0 to bitwise representation (3 different ways)
2011-08-01 10:11:32 +00:00
Christoph Kords fb121b1435 * boundary condition masking changed
* damper initialized with one 
* inversion of Mandelized stiffness tensor does not work, have to use plain tensor
* new functions in math that allow for conversion between Mandel and Plain tensors
2011-07-29 15:57:39 +00:00
Philip Eisenlohr 1877026d86 sorry, dangling "endif"... 2011-06-14 14:35:55 +00:00
Philip Eisenlohr cc925cadee changed output/debug-level relation for two statements 2011-06-14 14:08:13 +00:00
Franz Roters 08d39342e4 reworked restarting for compatibility with abaqus (not yet fully working)
added new orientation feature for direct simulation:
  component type (random) asigns random orientation to an entire grain
2011-05-28 09:44:43 +00:00
Franz Roters 7d84a0911e removed unused variables 2011-04-13 14:16:22 +00:00
Franz Roters c1b8391110 changed enconding of all source files to UTF-8 without BOM (signature) Codepage 65001 2011-04-07 07:20:28 +00:00
Franz Roters fcdb805225 added copyright text to all f90 (free) format files 2011-04-04 14:09:54 +00:00
Christoph Kords 11138e3ee2 debugging output is now controlled by the "verbosity" parameter in the debug.config ranging from 0 (=almost no output) to 8 (=very detailed output)
0 : only version infos and all from "hypela2"/"umat"
1 : basic outputs from "CPFEM.f90", basic output from initialization routines, debug_info
2 : extensive outputs from "CPFEM.f90", extensive output from initialization routines
3 : basic outputs from "homogenization.f90"
4 : extensive outputs from "homogenization.f90"
5 : basic outputs from "crystallite.f90"
6 : extensive outputs from "crystallite.f90"
7 : basic outputs from the constitutive files 
8 : extensive outputs from the constitutive files

If verbosity is equal to zero, all counters in debug are not set during calculation (e.g. debug_StressLoopDistribution or debug_cumDotStateTicks). This might speed up parallel calculation, because all these need critical statements which extremely slow down parallel computation.
2011-03-21 10:31:17 +00:00
Christoph Kords 235266b169 openmp parallelization working again (at least for j2 and nonlocal constitutive model).
In order to keep it like that, please follow these simple rules:

DON'T use implicit array subscripts:
example:    real, dimension(3,3) :: A,B
                  A(:,2) = B(:,1)               <--- DON'T USE
                  A(1:3,2) = B(1:3,1)       <--- BETTER USE
In many cases the use of explicit array subscripts is inevitable for parallelization. Additionally, it is an easy means to  prevent memory leaks.

Enclose all write statements with the following:
!$OMP CRITICAL (write2out)
<your write statement>
!$OMP END CRITICAL (write2out)

Whenever you change something in the code and are not sure if it affects parallelization and leads to nonconforming behavior, please ask me and/or Franz to check this.
2011-03-17 10:46:17 +00:00
Franz Roters 654b5ea987 set type for acos_arg 2011-03-04 14:57:22 +00:00
Franz Roters 2975c99144 now the maybe not perfect quartenions caused trouble in math_QuaternionToEuler 2011-03-03 14:23:39 +00:00
Franz Roters e7c7ccdcdd improper rotation matrix from pdecomposition could cause negative arguments in squareroot 2011-03-03 10:47:07 +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
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 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 794aeb253b crystallite and CPFEM now print/output tensors in ij notation (used to be, particularly in the t16, ji, i.e. transposed...)
math reports random seed used for rnd() generation
2011-01-20 19:25:45 +00:00
Martin Diehl 3c502561ee added matrix multiplication 3333x33 to math.f90
added some parameters for spectral method to numerics.f90 (tolerance)
changed error message concerning spectral method in IO.f90
corrected calculation of stress BC in mpie_spectral.f90
2010-10-13 16:04:44 +00:00
Philip Eisenlohr a8dfdc6487 added _mul33xx33 double contraction: A_ij * B_ij = scalar 2010-09-30 09:32:49 +00:00
Christoph Kords cb4b4afc88 corrected header for math_qRot 2010-09-30 08:46:58 +00:00