Commit Graph

238 Commits

Author SHA1 Message Date
Christoph Kords 8a45a90775 new crystallite output "grainrotationX", "grainrotationY", "grainrotationZ" that gives the deviation of the initial orientation in degrees around the sample reference x/y/z axis, while "grainrotation" still gives the same as axis angle pair in crystal coordinates 2013-01-16 08:45:41 +00:00
Christoph Kords 7dd1130e92 reset syncSubFrac flag when turning terminallyIll 2012-12-16 16:18:36 +00:00
Christoph Kords 92d2c83334 more debugging info for timesyncing 2012-12-16 11:30:19 +00:00
Christoph Kords 4f12073dcb once again corrected parallelization statements
added some debugging writes for timesyncing
2012-12-16 10:54:13 +00:00
Christoph Kords f744fc1d47 fixed bug in parallelization: flushing of crystallite_todo was missing at a couple of places 2012-12-11 15:05:08 +00:00
Christoph Kords 6a9b19e4c0 fixed bug in timesyncing procedure: if any ip that synchronizes its time step did not converge, all nonlocals become terminally ill; before, this led to an infinite loop in crystallite 2012-12-11 13:42:22 +00:00
Christoph Kords 35a0483507 fixed bug in last revision: FE_geomType was not in namespace 2012-12-10 17:22:16 +00:00
Philip Eisenlohr 10ed848258 fixed 2 bugs: missing mapping with FE_geomtype(mesh_element(2,...)) 2012-12-10 17:03:28 +00:00
Christoph Kords 98d02dcffb removed call to microstructure in stateJump function, since this is already done in the state integrator subroutine 2012-12-07 07:50:41 +00:00
Christoph Kords 0986a66449 accidentally also included some changes in crystallite_integrateStress in last commit; reverted these changes in this revision 2012-12-03 16:34:41 +00:00
Christoph Kords f2dacb5f40 polished debugging output 2012-12-03 16:29:54 +00:00
Christoph Kords f92d34dd22 removed some unused variables 2012-11-29 18:44:00 +00:00
Christoph Kords e10000a338 Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2. 2012-11-27 18:36:55 +00:00
Christoph Kords e584c0e6e8 deleted space in front of preprocessor line 2012-11-22 20:04:33 +00:00
Christoph Kords 38ec462f4a order of integration now same for all state integrators: first calculate the dotState and then the deltaState 2012-11-22 13:04:19 +00:00
Philip Eisenlohr 7d196fbb25 polishing 2012-11-22 09:58:36 +00:00
Philip Eisenlohr d189a6a7a0 polishing 2012-11-21 16:57:57 +00:00
Christoph Kords 760af1fbbf crystallite_requested now masked by execIP, now elemhomogeneous works again 2012-11-19 15:13:48 +00:00
Christoph Kords 9fb94cd707 breaking crystallite loop in case of terminally ill (this functionality was probably lost since rev1886) 2012-11-19 08:39:48 +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 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
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
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 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 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
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
Christoph Kords 5f0440fde3 crystallite_integrateStress now raises an error if Fp becomes NaN 2012-10-17 16:19:42 +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 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 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
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
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
Philip Eisenlohr 4d09ef0648 changed variable name "debug_what" to "debug_level" 2012-07-05 09:54:50 +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
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
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 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
Franz Roters 7ee368f324 check whether there is any constitutive output 2012-05-11 07:38:20 +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
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
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
Franz Roters c9ed989dad replaced keyword constitution with plasticity in preparation of upcomming generalized elasticity 2012-03-12 14:09:37 +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 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
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
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
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 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
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
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
Philip Eisenlohr fa32a00d56 changed symmetryID initialization to integer (instead of float) value 2012-02-10 17:46:43 +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
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
Christoph Kords 1330576a01 added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor
renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 13:50:00 +00:00
Christoph Kords 6fec57bbd7 replaced variable fraction by "timefraction" 2012-01-26 12:48:59 +00:00
Christoph Kords 4980f57fd5 added total Green-Lagrange strain to crystallite outputs 2012-01-20 10:25:35 +00:00
Christoph Kords 8739b9522e dislocation stress does not add to stress field anymore, but is only available as constitutive output for purposes of postprocessing. instead, we now use a backstress term (which is added to the resolved shear stress) that depends on the gradient of excess density on the same slip system. 2012-01-17 10:26:57 +00:00
Philip Eisenlohr a7d9d711f6 edited lines exceeding 132 chars (before any comment started) 2012-01-11 16:56:35 +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
Christoph Kords 9d1bc584d0 corrected stress integration scheme: now use norm(Lpresiduum) as a target function for Armijo's rule instead of whole tensor Lp; also corrected the guess for the improvement in Lp 2011-11-04 12:57:12 +00:00
Christoph Kords ca3d21a3b6 Depending on which state integrator one uses for the stiffness calculation, the initial state has to be chosen accordingly: e.g. for FPI choose last converged state, but for explicit RK choose converged state from start of increment (in case of explicit euler no state integration at all, but only stress integration). For this purpose we also need to remember "Fe" which now follows the cutbacking procedure as it is used for "Fp". 2011-11-04 12:44:50 +00:00
Martin Diehl c35ea33f8e did a lot of polishing:
- removed unnecessary "return" before end of subroutine or function:
- changed undetermined array length (:) to (1:3)

To prevent problems with some code analysing tools:
- "3D oneliner loops" (with ";) only for "do" and "enddo" at the same time
- removed line continuation in OMP statements

made the makefile more flexible, removed heap-arrays switch
2011-09-13 15:54:06 +00:00
Christoph Kords b300cc7faa ip volume is now based on the determinant of F. "mesh_ipVolume" represents the initial volume and is multiplied with det(F) wherever the current volume is needed. Since this works for all solver types, the "volume" output in crystallite is now also correct for spectral method and abaqus. 2011-08-19 11:18:56 +00:00
Christoph Kords 1ffb59a96a Calculation of current ip volumes now working. Crystallite output also reflects current grain volume, not reference volume. However, this is only available for Marc. Abaqus and spectral method still return the reference ip volume. The ip coordinates though are correctly updated for all solver types. 2011-08-10 16:37:17 +00:00
Christoph Kords ef7405fe21 Stress integration now uses Armijo rule to find an appropriate correction of Lp: decreases step in case that residuum does not improve significantly, accelerates as usual in case of good convergence. This turned out to improve convergence behavior. 2011-08-02 11:29:08 +00:00
Martin Diehl 75c67f53f7 introduced alternative location for material configuration.
If present, the >>>JOB.materialConfig<<< file takes precedence over the standard >>>material.config<<<
2011-08-02 10:14:16 +00:00
Martin Diehl 564eb5009f shape mismatch in crystallite, invalid names for variables(pos, size) in homogenization corrected. polishing of DAMASK_spectral_interface and makefile 2011-08-01 18:10:55 +00:00
Philip Eisenlohr a26d9c844b max size of crystallite result is now based on actual use within the mesh, not just picking the largest chunk from the material.config file... 2011-06-08 09:16:48 +00:00
Philip Eisenlohr 8041587a72 changed internal debug verbosity in accord with debug.config listing. 2011-06-06 15:27:35 +00:00
Philip Eisenlohr e5a2d829b0 new substructure with 'include' and 'config' directories
renaming of mpie_... to DAMASK for main usersubroutines

extension of element outputs from 5 to 8 digits (FFT!!!)
2011-05-11 16:38:45 +00:00
Philip Eisenlohr affd383ef8 simplified disorientation calculation. performed FEM check that "grainrotation" reflects the *active* rotation from the starting orientation to the current one with respect to the lab coord system (as expected). 2011-04-14 19:09:44 +00:00
Christoph Kords 5814262f55 moved some write statements within stateIntegrationEuler 2011-04-14 09:35:56 +00:00
Philip Eisenlohr 349f022100 reinstantiated calculation of grainrotation (still needs check for correctness, i.e. active or passive rotation output) 2011-04-13 16:08:52 +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 790dbed1e4 * removed last remnants of old debugger
* replaced "dble" intrinsic function by "real" with pReal kind in constitutive_nonlocal.f90
* removed useless line breaks in output of state in CPFEM.f90
2011-04-04 08:34:52 +00:00
Christoph Kords 314ca3fe7f Internal stress calculation in nonlocal model: instead of integration of excess gradients (->Bayley) we now sum up contributions from adjacent superdislocations within a certain radius R. When periodicity is used, also periodic images are considered in stress evaluation. 2011-03-29 07:34:33 +00:00
Christoph Kords 3d51dd36fa * Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization.
* Also added some more openmp directives to increase percentage of parallelized code.

* "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 07:27:19 +00:00
Nan Jia 7be2edb10e added "texture
" as possible crystallite output => reports ID for later discrimination...
2011-03-22 13:40:27 +00:00
Christoph Kords 462eda6736 split parallel region in integrateStateFPI into two 2011-03-21 14:30:10 +00:00
Christoph Kords 5ee73dee72 age dotState before resetting it to zero, otherwise the statedamping does not work. 2011-03-21 13:06:11 +00:00
Christoph Kords fc6f2ae68f No need to call constitutive_microstructure at the beginning of each crystallite step, since it's already been done at the end of the previous step. Just do it once after initialization to start with correct values for the dependent state variables. 2011-03-21 10:35:42 +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 97a0146672 deactivated one debug statement at the end of crystallite_updateState(g,i,e) as it leads to division by zero if constitutive_state(g,i,e)%p(1:mySize) contains zero values
statement should be changed to check for zero values
2011-03-11 10:05:30 +00:00