Commit Graph

1193 Commits

Author SHA1 Message Date
Christoph Kords 467c186f0f annihilation of screws 2012-11-17 13:50:20 +00:00
Nader Zaafarani dc5cd8a4c4 A modified twin-twin interaction matrix for BCC is introduced.
An introduction of a third parameter at the interactionTwinTwin in the material.config for BCC-dislotwin materials is essential.
2012-11-16 13:39:08 +00:00
Philip Eisenlohr d9a98417ca switched element library to geomType based.
saves to copy same geometry description for different elements that are essentially similar regarding the IP number but differ in total node count.

introduced quadratic tetrahedron (Marc element 127 -- element 157 might also work, but did not perform well in fully elastic calc so far)
2012-11-15 22:45:20 +00:00
Christoph Kords aec163941d calculate ip coordinates only once when the first ip enters calculation mode 2012-11-15 12:31:39 +00:00
Philip Eisenlohr bdbc202c7e corrected typos 2012-11-15 09:22:36 +00:00
Nader Zaafarani c0a5a1dfd1 Formation of the Slip-Slip interaction matrix for BCC. 2012-11-14 17:35:33 +00:00
Martin Diehl 7e683ca7c3 removed coordinates from call to CPFEM_general and introduced direct storage of coordinates to mesh_ipCoordinates 2012-11-14 14:38:10 +00:00
Martin Diehl 1896c07c70 corrected some bugs in the last commits 2012-11-14 14:33:41 +00:00
Nader Zaafarani c8be3a03bd The twin system <111>{112} for BCC is introduced. 2012-11-14 13:43:59 +00:00
Nader Zaafarani 6b010b4a46 Twin-slip interaction matrix for BCC is set to 0. 2012-11-14 11:53:22 +00:00
Nader Zaafarani b0464ad176 A modified slip-twin interaction matrices for FCC and BCC are introduced.
The shear twin value for BCC is corrected.
An introduction of a third parameter at the interactionSlipTwin in the material.config for dislotwin materials is essential.
2012-11-14 11:13:16 +00:00
Philip Eisenlohr fb2981b4c4 switched matrix indices in SlipSlip, SlipTwin, TwinSlip, and TwinTwin such that first index refers to first name and second to second... 2012-11-14 10:27:23 +00:00
Philip Eisenlohr e4ce63d689 switched matrix indices in SlipSlip, SlipTwin, TwinSlip, and TwinTwin such that first index refers to first name and second to second... (used to be transposed for memory efficiency) 2012-11-14 10:22:34 +00:00
Philip Eisenlohr 789e6c7d83 dropped support of MSC.Marc/Mentat 2007 and 2008 2012-11-14 09:57:18 +00:00
Philip Eisenlohr ad9639f2f7 check for existence of files before sym-linking to them. 2012-11-14 09:40:45 +00:00
Martin Diehl c3926efd93 introduced logic to use gfortran as default if ifort is not found 2012-11-13 19:12:00 +00:00
Martin Diehl 922042d8d5 now automatically using gfortran if no ifort is found 2012-11-13 18:40:14 +00:00
Martin Diehl 0c87fc16f4 renamed the keyword for the make options from make to options 2012-11-13 17:26:25 +00:00
Martin Diehl 70c4e11742 added comments and structured the code. Temperature is not longer stored for each point but only to simplify restart behavior as long as it is not fully supported by the constitutive models 2012-11-12 14:14:39 +00:00
Christoph Kords 3c53f3ec9a last version contains buggy mesh.f90; corrected typo in initialization 2012-11-09 07:52:44 +00:00
Christoph Kords 366ac28694 parallelized mesh_build_subNodeCoords and mesh_build_ipCoordinates 2012-11-09 07:47:14 +00:00
Martin Diehl b1c3c57412 some more finetuning, still not running on gfortran 4.5.0 2012-11-08 21:33:58 +00:00
Martin Diehl c831716b26 reseting value vector when reading in for loadcase file, otherwise NaNs might be in there 2012-11-08 20:35:31 +00:00
Christoph Kords 11264f3fe4 forgot to check for convergence flag in FPI integrator 2012-11-08 20:15:19 +00:00
Christoph Kords 60438cdbcc criterion for crystallite cutback loop changed from crystallite_subStep to crystallite_todo; this avoids problems when the last substep of the crystallite increment is below subStepMinCryst (which is allowed during last wind forward)
fixed bug in the adaptive Euler integrator and the RK4 integrator, which could not reach the stateJump function, because of erroneous check for converged flag; also corrected the state counter for the RK4 integrator
2012-11-08 20:00:29 +00:00
Martin Diehl ee5903c767 replaced real 'guessmode' with logical 'guess', caused trouble on gfortran 6.3 with ultra optimization 2012-11-08 19:32:00 +00:00
Martin Diehl 6a86f36407 now having libraries from Makefile before PETSc Libraries in linker order 2012-11-08 18:26:10 +00:00
Christoph Kords c775edaa6d better avoid initialization of residuum_old with huge, since it posed problems in Abaqus 2012-11-08 13:26:22 +00:00
Christoph Kords dad9922f54 fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain
added some OMP FLUSH statements were necessary 
replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 15:43:29 +00:00
Martin Diehl bbcffa668b some small changes in including PETSc *.h90 files to prevent warnings.
It seems that a bug in old gfortran 4.5.0 causes the problems, at least with 4.7.3 it seems to work after fixing the bugs in IO.f90
2012-11-07 13:11:41 +00:00
Martin Diehl 9b99825ac6 preventing array index out of bounds in case of empty line, removed to goto statements 2012-11-07 09:31:46 +00:00
Martin Diehl 5214b93342 fixed bug when reading in geometry for spectral solver 2012-11-06 17:16:01 +00:00
Martin Diehl 3ada4897fb reordered PETSc initialization (now first part done in interface, setting of parameters done in numerics), removed unnecessary includes for PETSc
still not running with gfortran, use at own risk!
2012-11-06 16:00:51 +00:00
Martin Diehl a86d528a4a replaced call flush(6) by flush(6), slightly improved formating for output of gfortran version 2012-11-06 15:50:20 +00:00
Christoph Kords 5b6baa7c0d introduced distinction between ip coordinates and cell center coordinates; the former can be globally calculated by subroutine mesh_build_ipCoordinates, the latter locally by the function mesh_cellCenterCoordinates; renamed mesh_ipCenterOfGravity to mesh_ipCordinates 2012-11-06 14:37:13 +00:00
Christoph Kords bb033c5fe7 Simplified algorithm of crystallite_integrateStress while preserving (almost) same functionality.
Removed "leapfrogging" (increase of step for next guess, when last guess was ok); Replaced Armijo rule testing for step size by simple check if the residuum got better, since the former virtually did not have any effect; consistently using the 2-norm of the residuum rather than infinity-norm for the convergence check throughout the function
2012-11-06 12:35:45 +00:00
Christoph Kords 639d6e0655 inserted missing flush(crystallite_todo) in parallel section; might have caused trouble in parallel calculations before 2012-11-05 14:45:52 +00:00
Martin Diehl 086fe138b1 substituted matrix inversion to solve equation by direct solution routine from LAPACK 2012-10-31 09:56:26 +00:00
Christoph Kords 55dc286be2 corrected limit for upper stable dipole distance; fixed a bug in the postResults where division by zero might happen 2012-10-29 13:02:01 +00:00
Christoph Kords f666f8dcf3 added possibility to scale the plastic shearrate by the ratio of mobile to total density; keyword in material.config is "deadZone" 2012-10-29 12:49:28 +00:00
Martin Diehl ca596bc7af error messages are now printed, added svn properties 2012-10-25 09:16:17 +00:00
Christoph Kords 93cc466749 third entry in mesh_ipNeighborhood stores the neighbor_index that points from each neighbor back to the central ip; needed in nonlocal model 2012-10-24 14:03:02 +00:00
Martin Diehl 13b55275b1 documented utilities and structured, worked on the restart capabilities of the new basic solver 2012-10-24 11:31:40 +00:00
Philip Eisenlohr 5ad0eda1b6 switched saturation behavior!!
was \dot s_alpha = (1-s_alpha/s_inf)^a h_alphabeta \dot gamma_beta
now \dot s_alpha = h_alphabeta  (1-s_beta/s_inf)^a \dot gamma_beta

current form is consistent with the genmat implementation (and appears to make more physical sense). Kalidindi_etal1992 suggested this form, but altered it to the alpha-one in Bachu+Kalidindi1998... By now, it seems that some groups use alpha, others beta approach.

introduced two new absolute tolerance values for "shears" and "twinFrac" (default 1e-6).
2012-10-22 14:55:07 +00:00
Christoph Kords 2be331b74d In crystallite for state integrators 2 and 3: now that "stateJump" is called before integrating dotState, we have to do state = state + dotState *dt instead of state = subState0 + dotState * dt; otherwise the deltaState is lost 2012-10-22 13:34:15 +00:00
Christoph Kords 0980920b66 In crystallite: for state integrators 2 and 3 the deltaState always has to be done at the beginning of the integration, not at the end; otherwise the stiffness calculation can be completely wrong, when the state is changed after the stress integration for the central solution.
Also changed some debugging levels in crystallite and mainly in constitutive_nonlocal
2012-10-22 07:59:35 +00:00
Christoph Kords 3ecaa9e371 modified multiplication term in order to mimic a discrete distribution of dislocation sources; namely, at high resolution, when there is (on average) less than one source per integration point, a random generator decides whether there is a source in the finite volume or not; if there is one, then the multiplication turns independent of the density and depends only on the velocity/volume times a scalar factor; recovers density*velocity/lambda for large finite volumes 2012-10-19 11:40:17 +00:00
Christoph Kords 36676029e1 for state integrator 2 (explicit euler) and 3 (adaptive 2nd order euler): don't do any state evolution during stiffness perturbation, but only stress integration, since for those cases the state is not restored after every perturbation step 2012-10-19 11:20:31 +00:00
Martin Diehl b9f97ba5da unified naming scheme, fixed a bug in the new basic scheme, and added a statistic file similar to abaqus to store the information on needed cut backs and iterations for each inc 2012-10-19 08:44:21 +00:00
Christoph Kords 6230dacbac only first broken ip signals "terminally ill" 2012-10-18 13:48:06 +00:00
Christoph Kords 4a6e08bb69 changed keyword in spectral geometry file for multiplication of entries from "copies of" to "of" 2012-10-18 10:17:16 +00:00
Philip Eisenlohr dd5f453994 mainly cosmetics. added some comments. changed debug levels for some outputs. corrected (probably non-essential) check for NaN in FPI stressIntegrator. 2012-10-18 09:53:26 +00:00
Philip Eisenlohr 79a5a30a90 removed now obsolete vectorproduct variables st, tt... 2012-10-18 07:25:49 +00:00
Christoph Kords 5f0440fde3 crystallite_integrateStress now raises an error if Fp becomes NaN 2012-10-17 16:19:42 +00:00
Philip Eisenlohr 31f20e51da just to be able to tell about the bug I found in the hex slip systems---which I actually forgot to mention during the last commit---I slipped in a syntax error that now is fixed, too... 2012-10-12 20:31:50 +00:00
Philip Eisenlohr 05c5ea42d7 prepared loop distributions to hold "over shooters" 2012-10-12 18:00:55 +00:00
Philip Eisenlohr 82a13af474 tidied up the Schmid matrix calculations.
added internal check against dilatation in Schmid matrices.
2012-10-12 17:59:50 +00:00
Philip Eisenlohr b20c612e25 added error "0" for internal (run time) checks failing 2012-10-12 17:55:23 +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 324dfda5a2 added comments (doxygen conform) to phenopowerlaw, added warning on specifying h0_sliptwin as it has no effect 2012-10-11 14:49:12 +00:00
Christoph Kords e4054c116d fixed problem with gnu compiler: allocation of variables in constitutive_nonlocal_stateInit was not safe when not using any nonlocal constitution
put header of debugging output in constitutive_init at the start of the function in order to make debugging easier
2012-10-09 12:34:57 +00:00
Christoph Kords a84e0529c3 make correction of hardening coefficients thread safe 2012-10-05 16:05:51 +00:00
Christoph Kords 40a2e652e7 introduced material parameter "linetension", which indicates how strong the effect of the line tension on the hardening coefficients is 2012-10-05 14:42:41 +00:00
Christoph Kords 7cc6108a04 hardening coefficients for fcc are density dependent (line tension effect, Devincre, Kubin, Hoc; 2006; Physical analyses of crystal plasticity by DD simulations)
fixed bug with thermal annihilation producing negative density in case of very small dipole density and high climb velocity
2012-10-04 18:08:40 +00:00
Martin Diehl 80465c0b49 moved option for UTF-8 encoding to spectral interface as this is now called before prec init.
if UTF-8 encoding is needed for FEM solver (old compilers might not support it), add the same statement to the corresponding interface routine
2012-10-04 14:22:39 +00:00
Martin Diehl e2ea3cdff6 again some changes regarding creation of NaN, ieee-conforming way is not in the complilers yet. 2012-10-02 16:53:03 +00:00
Christoph Kords bce8012c89 random distribution of initial dislocation density now really independent of meshsize 2012-10-02 15:26:58 +00:00
Martin Diehl d5ce49c471 numerics got some protected statements and is now reading in the new keywords for the solver selection in small letters.
spectral solver got cut back facilities + improved output to screen
2012-10-02 15:26:56 +00:00
Christoph Kords 91b7883c2a random distribution of initial dislocation density now independent of mesh size 2012-10-02 13:35:34 +00:00
Christoph Kords 1502a71f0c added possibility to start with an initial random distribution of dislocation segments with specific overall density 2012-10-02 12:57:24 +00:00
Martin Diehl 0bcb8f59db added doxygen comments, some polishing, added "protected" statements where applicable 2012-10-02 12:53:25 +00:00
Martin Diehl 6301787df4 moved the the variable cutBack from FEsolving.f90 (where it was not used at all) to the interface routines to make responsibility of cut back control clear
PLEASE RUN setup_code.py IF YOU DO MARC SIMULATIONS, THE INTERFACE HAS CHANGED
2012-10-02 12:46:58 +00:00
Martin Diehl c8b7da432c set debug_level to be protected as it is read-only for other modules 2012-10-02 09:35:39 +00:00
Martin Diehl 4c7bcb8df9 modified formated integer output and added error number in case maximum number of cutbacks is reached 2012-10-02 09:30:13 +00:00
Franz Roters 9fc46b4950 added /echo/ statements 2012-10-02 08:12:53 +00:00
Christoph Kords b99a846503 new scaling feature in numerics (unitlength) did not scale the reference coordinates in the first place; now this is taken care of in mesh.f90, so scaling should work properly 2012-09-25 16:21:58 +00:00
Christoph Kords d0fd3c03c5 forgot to check in; belongs to rev 1762 2012-09-24 16:22:25 +00:00
Martin Diehl 912277d1ed substituted the call to the flush subroutine with the intrisic flush(6) function 2012-09-24 12:10:28 +00:00
Christoph Kords 8336d0705c new numerics parameter "unitlength" that scales the model size in DAMASK; this enables to use very small models in marc without getting any numerical problems for example with contact which does not seem to work when using very small numbers 2012-09-24 06:13:26 +00:00
Martin Diehl b587bffdd5 added some 'protected' statements to variables that shouldn't be changed by other modules 2012-09-22 16:49:41 +00:00
Krishna Komerla 8ed69170c5 corrected wrong warning complaining about FFTW string when DAMASK_NUM_THREADS undefined 2012-09-14 16:39:42 +00:00
Martin Diehl 1cfc467705 added new cut back parameter for spectral solver and instrumented variables for use with doxygen 2012-09-13 09:48:38 +00:00
Duancheng Ma b9a2890665 fixed bug in loadcase rotation: when not specifying "deg" the rotation was reset to 0,0,0..! 2012-09-06 14:05:28 +00:00
Christoph Kords 29023cea3c minor correction of debugging output 2012-09-05 11:19:46 +00:00
Pratheek Shanthraj 330d71864e fixed bug with stress BC handling 2012-09-05 08:30:15 +00:00
Christoph Kords f153866030 introduced factor to control edge contribution to multiplication;
dislocation density below a single dislocation per IP considered not significant
2012-09-04 16:56:37 +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
Christoph Kords d80b45c1d9 added relativistic correction of velocity (maximum velocity given by parameter in material.config); probability of thermal activation in velocity law not allowed to be greater than one.
output of creation rate for edge jogs now for own system, not collinear.
check for negative densities in dotState now uses absoluteToleranceRho instead of significantRho.
2012-08-30 07:33:13 +00:00
Martin Diehl 8e3b547cbd changed numerics.f90 back to the old openmp statement as this doesn't seem to cause the problem and is standard conforming
corrected typo in constitutive_j2.f90 that might cause abaqus to crash
now running 20 tests of abaqus in order to have a decent statistic about the crash behavior
improved abaqus_v6.env
2012-08-29 16:16:10 +00:00
Martin Diehl 84e3f94424 added flush for easier debugging 2012-08-29 15:23:43 +00:00
Martin Diehl d83150be1b now capturing "terminallyIll" for basic solution, should end in a automatic cutback of time steps for the spectral solver 2012-08-29 05:50:42 +00:00
Martin Diehl 3106b8ce0c corrected definition of integer type for gfortran 2012-08-29 05:19:35 +00:00
Martin Diehl d089c12947 abaqus seems to have similar problems with the openmp lib as marc (use module vs. include file), i hope this fixes the crashes 2012-08-28 19:48:38 +00:00
Martin Diehl 5e9e8497e6 new solver is now compiling without a PETSc installation, however only the plain basic solver is available then.
also removed reporting of PETSc related variables in the case it is not installed/found
2012-08-28 19:19:47 +00:00
Martin Diehl 0f64289d75 fixed bug causing trouble with ifort 11 (abaqus) 2012-08-28 19:10:54 +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 73349d02f5 merged precision info into the file prec.f90 and removed prec_single.f90
precision information is now parsed as a makro, defined by the compiler, eg. -DFLOAT=8 for 8 byte long floats or -- in case no values is given -- for the FEM wrapper by the interface files.

Please don't forget to run setup_code.py  !!!!!!!!!!!

abaqus_v6.env is adjusted to specify the standard precision (float=8, int=4) and got some extra compilation options, some deprecated warning supressors are removed

Optional Marc modification will follow that allow automatic selection of suitable precision
2012-08-28 16:08:17 +00:00
Christoph Kords f3e7b3cec8 added separate output of dipole formation rate for edge and screw 2012-08-27 15:57:31 +00:00
Christoph Kords aa380dcb08 added separate output of dipole formation rate for edge and screw 2012-08-27 15:57:22 +00:00
Martin Diehl efd1b513cf fixed bug in divergenceFDM 2012-08-27 15:43:17 +00:00
Christoph Kords 9214da4465 added missing labels to list of available outputs 2012-08-27 12:41:57 +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 e335222bd0 added constitutive none to abaqus files 2012-08-24 19:21:39 +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
Christoph Kords 3cd5fa90e8 corrected dislocation multiplication term for special case of zero density 2012-08-24 11:36:46 +00:00
Christoph Kords 4f67d04c69 new parameter "significantRho" for nonlocal constitutive law ; density below this value will hardly contribute to dislocation glide or any dislocation reaction ; old parameter "absoluteToleranceRho" is now used only for its initial purpose, namely the absolute tolerance in the state integration 2012-08-23 05:48:21 +00:00
Christoph Kords 222aed9f60 derivative of velocity with respect to resolved stress was flawed; now much better convergence of stress integration for nonlocal constitutive law 2012-08-21 14:40:01 +00:00
Christoph Kords ad7381cfdd maximum relative step length in stress integration cannot decrease below 1
intermediate tensor "A" is calculated only once before the Lp loop in "integrateStress"
2012-08-21 08:53:36 +00:00
Martin Diehl 35dffd52c1 now using spectral_quit (like old spectal solver, needed because of f2py) 2012-08-20 13:22:34 +00:00
Martin Diehl b96df9987e fixed reading/writing of integer arrays with function for real arrays 2012-08-16 14:55:23 +00:00
Martin Diehl 453c6031a7 added functions for reading values of integer data type to binary file, corrected comment on old versions which are for real (pReal) only 2012-08-16 11:57:15 +00:00
Christoph Kords b2aacf9ca4 rates in constitutive_results are taken directly from last converged step and not calculated again; added output of rates for annihilation of screws and deposition of edge jogs on collinear system 2012-08-16 11:03:22 +00:00
Christoph Kords bd754dbefd corrected debug output of evolution rates; added possibility to change the safety factor for the CFL flux condition via the material.config file; updated the example material.config due to recent changes in nonlocal constitutive 2012-08-16 09:13:38 +00:00
Martin Diehl 0434ef3daa some comments to be seen in documentation 2012-08-15 13:38:38 +00:00
Pratheek Shanthraj c2c31a0a59 added SolverBasicPETSC module to the new FFT solver (solves the basic scheme using PETSc when mysolver = basicpetsc in numerics.config)
some bug fixes
2012-08-14 16:58:23 +00:00
Christoph Kords f5e7d576f1 introduced annihilation of screw dipoles; so far no thermal activation, but immediate annihilation; each annihilated screw dipole leaves behind an edge jog of same length as the dipole height on the collinear system 2012-08-14 12:26:20 +00:00
Christoph Kords c1c5941733 stressAndItsTangent:
when winding forward to last substep in increment, also do the calculation if this substep is below "subStepMinCryst";
output of "wind forward" and "cutback" info only for crystallites that are still "todo"

integrateStress:
maximum component in Lp determines absolute convergence criterium:
aTol = max(maxLpComp * rTol_fromConfig , aTol_fromConfig)
this ensures that small values in Lp do not spoil the convergence, similar to the effect of the relevantStrain parameter before (not needed anymore in the stress integration)
2012-08-14 12:07:59 +00:00
Christoph Kords eae9a34c6b corrected debugging output: extreme values of returned stress and jacobian belong to cpfem debugging, not homogenization 2012-08-14 11:48:43 +00:00
Pratheek Shanthraj 259eb7850e more work on array ordering in new solver. (now working but not tested) 2012-08-10 17:01:58 +00:00
Martin Diehl cd0da03ebc changed comments to doxygen style 2012-08-10 15:58:17 +00:00
Krishna Komerla 08c7be7d15 adaptive regrid now working, updates F and F_lastInc based on mapping. 2012-08-10 15:48:27 +00:00
Martin Diehl b324a98014 changed order of most arrays to fortran-fast, whole new solver still work in progress 2012-08-09 13:04:56 +00:00
Martin Diehl fe4d4d9525 changed comments in prec and IO to be read by doxygen, fine tuned output of doxygen and added precompilation for documentation 2012-08-09 11:01:53 +00:00
Pratheek Shanthraj d0933dad7b added filter option to the spectral solver to mitigate spurious oscillations due to gibb's phenomenon. activate by setting myfilter in config file appropriately (currently only 'none' and 'cosine' options coded). more cleaning up of AL code 2012-08-07 17:23:13 +00:00
Pratheek Shanthraj 925915e30d some cleaning up 2012-08-07 12:02:57 +00:00
Pratheek Shanthraj 32f8c9c6ea moved petsc option string to numerics and added new numerics parameters to config file 2012-08-06 17:27:53 +00:00
Martin Diehl 93658c72db set auto values back to auto 2012-08-06 12:44:07 +00:00
Martin Diehl 7e3a837640 moved calculation and output of geometry related data to mesh.f90, moved output of command line related information to DAMASK_spectral_interface.f90.
improved new solver structure (use with make SOLVER=NEW)
2012-08-06 12:43:05 +00:00
Christoph Kords a48d180f8c allow prefactor for self-diffusion to be equal to zero 2012-08-06 09:03:33 +00:00
Pratheek Shanthraj e2a2621235 updates for AL version of spectral solver 2012-08-06 08:53:12 +00:00
Christoph Kords e8df3678aa added possibility to assign the transmissivity of grain boundaries a fixed value by use of the keyword "grainboundaryTransmissivity" in the material.config; grain boundaries are identified as interfaces between areas of different material_texture 2012-08-03 14:32:49 +00:00
Martin Diehl 948d9c03d0 new version of modular solver structure 2012-08-03 09:25:48 +00:00
Mahesh Balasubramaniam 3ffba037d4 Reading of euler angles from the loadcase corrected. 2012-08-02 17:52:07 +00:00
Mahesh Balasubramaniam 740357172a Reading of Euler angles from the loadcase corrected. 2012-08-02 17:46:50 +00:00
Martin Diehl ee1bde0cd7 enabling regridding more than once by introducing deallocation of arrays
added J2 test (stub from Taymour)
2012-07-31 15:37:49 +00:00
Martin Diehl 5a89c783d4 deallocating already allocated arrays in case of regridding/restarting (i.e. when calling init more than once) 2012-07-31 14:00:15 +00:00
Martin Diehl 991a7bbd2d reordered initialization for spectral method, corrected bug of deformation BC parsing when prescribing velocity gradient resulting in wrong average deformation 2012-07-30 15:51:48 +00:00
Martin Diehl d4163dd16f further work on modularization, basic scheme is now calculating the same results as DAMASK_spectral.f90 2012-07-30 14:06:22 +00:00
Pratheek Shanthraj c341ddd855 more modularization…. 2012-07-26 13:58:47 +00:00
Martin Diehl 4ed68bb4ae next round in modularization 2012-07-25 14:01:39 +00:00
Martin Diehl e1faad8bcf next round in modularizzation of solvers 2012-07-24 17:07:10 +00:00
Philip Eisenlohr 882c44a61d changed the majority of debugging output to level "extensive" 2012-07-24 15:29:23 +00:00
Christoph Kords 15c5131874 corrected formulation of maximum height of screw dislocation dipoles 2012-07-24 14:50:11 +00:00
Martin Diehl 9c0a161ec0 in case of regridding, undeformed configuration is written out correctly. Restart improve by reading in additional data from converged step. 2012-07-24 12:21:41 +00:00
Christoph Kords c4c00f04f4 no dipole formation by stress decrease;
dipole dissociation rate proportional to "deltaDipoleLimit / oldDipoleLimit", not "deltaDipoleLimit / newDipoleLimit"
2012-07-24 06:57:37 +00:00
Martin Diehl 3d59fec305 further modularisation of spectral solver (only for basic scheme so far) 2012-07-23 10:12:31 +00:00
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