211f66a728
added elastic stiffness matrix as crystallite output
2012-03-01 13:06:09 +00:00
040e244993
Added stress-order terms to analytic stiffness
2012-02-27 17:40:28 +00:00
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
28d654d61e
forgot to remove some print statements in previous commit
2012-02-22 20:22:54 +00:00
b9a82156c9
crystallite.f90: can now calculate analytic jacobian by setting analyticJaco = 1 in numerics.config
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math.f90: added math_mul3333xx3333…
numerics.f90: to read in analyticJaco and Lp_frac
2012-02-22 20:11:09 +00:00
d68a3d1869
added LF=UNIX to a bunch of files
2012-02-22 13:30:00 +00:00
d8ffc29236
again: adding pInt, removing redundant use statments, chang in dble to real(,pReal)
2012-02-21 16:31:37 +00:00
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.
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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
c786336af3
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore.
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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
94100e8d8e
missing line break
2012-02-13 15:21:03 +00:00
156ec4582a
polishing, adding _pInt etc. where applicable
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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
fa32a00d56
changed symmetryID initialization to integer (instead of float) value
2012-02-10 17:46:43 +00:00
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
c5128e94eb
some f2008 standard related correction i didn't check in last time
2012-02-01 20:20:05 +00:00
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
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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
80583fefb5
added compilation_info.f90, to store compilation date,time and compiler info in each file
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added #include statement at each init() routine
2012-01-31 14:54:49 +00:00
1330576a01
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor
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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
6fec57bbd7
replaced variable fraction by "timefraction"
2012-01-26 12:48:59 +00:00
4980f57fd5
added total Green-Lagrange strain to crystallite outputs
2012-01-20 10:25:35 +00:00
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
a7d9d711f6
edited lines exceeding 132 chars (before any comment started)
2012-01-11 16:56:35 +00:00
5ebeb96e85
made DAMASK to work with gfortran:
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-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
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
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
c35ea33f8e
did a lot of polishing:
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- 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
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
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
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
75c67f53f7
introduced alternative location for material configuration.
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If present, the >>>JOB.materialConfig<<< file takes precedence over the standard >>>material.config<<<
2011-08-02 10:14:16 +00:00
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
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
8041587a72
changed internal debug verbosity in accord with debug.config listing.
2011-06-06 15:27:35 +00:00
e5a2d829b0
new substructure with 'include' and 'config' directories
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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
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
5814262f55
moved some write statements within stateIntegrationEuler
2011-04-14 09:35:56 +00:00
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
7d84a0911e
removed unused variables
2011-04-13 14:16:22 +00:00
c1b8391110
changed enconding of all source files to UTF-8 without BOM (signature) Codepage 65001
2011-04-07 07:20:28 +00:00
fcdb805225
added copyright text to all f90 (free) format files
2011-04-04 14:09:54 +00:00
790dbed1e4
* removed last remnants of old debugger
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* 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
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
3d51dd36fa
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization.
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* 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
7be2edb10e
added "texture
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" as possible crystallite output => reports ID for later discrimination...
2011-03-22 13:40:27 +00:00
462eda6736
split parallel region in integrateStateFPI into two
2011-03-21 14:30:10 +00:00
5ee73dee72
age dotState before resetting it to zero, otherwise the statedamping does not work.
2011-03-21 13:06:11 +00:00
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
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)
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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
235266b169
openmp parallelization working again (at least for j2 and nonlocal constitutive model).
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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
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
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statement should be changed to check for zero values
2011-03-11 10:05:30 +00:00
ad4706673b
* removed calculations for dipole formation/dissociation by stress change, since it is not used anyways; also removed associated constitutive outputs from material.config
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* removed input variables in constitutive_collectDotState and constitutive_postResults that are not needed anymore (because of recent changes in constitutive_nonlocal)
2011-02-25 09:53:20 +00:00
2f503f5cdb
added "Lp" as crystallite output
2011-02-25 08:15:26 +00:00
96d3682d5e
* new global integer variable "numerics_integrationMode" (1 indicating integration of central solution, 2 indicating integration of perturbed state)
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* combined "integrator" and "integratorStiffness" in new global variable "numerics_integrator"
2011-02-23 08:29:51 +00:00
466ced911e
* check convergence for nonlocals also in stiffness calculation mode
2011-02-09 08:39:07 +00:00
c00a42a9a4
fixed last remaining tensor outputs to their transposed versions
2011-01-27 14:29:06 +00:00
6ac06af517
sorry, forgot to alter the most important part: post_results..! eventually, the t16 has defgrads and friends in correct format: du_i/dx_j is listed as linear array (1,1),(1,2),(1,3),(2,1),...
2011-01-24 16:23:37 +00:00
4ee40df5ba
transposed writing into t16 file (and screen/debug) did not work with just stating array(1:3,:)...
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fixed by using math_transpose3x3 (and similar) instead.
2011-01-24 15:02:19 +00:00
794aeb253b
crystallite and CPFEM now print/output tensors in ij notation (used to be, particularly in the t16, ji, i.e. transposed...)
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math reports random seed used for rnd() generation
2011-01-20 19:25:45 +00:00
b9b226548c
* enclose wall time measurement for LpAndItsTangent and count of leapfrogbreaks by CRITICAL construct
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* better use SINGLE (having an implicit barrier at the end) instead of MASTER construct
* deleted all explicit BARRIERs after do loops since parallel loop construct implies barrier at the end
2010-11-19 17:29:29 +00:00
4f267f4375
parallelization now works properly (not yet tested extensively though):
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* had to add some BARRIER constructs
* only the master thread is allowed to increase the state counter
yet parallelization seems not to give a significant decrease in calculation time with nonlocal model (because of too many CRITICAL statements?)
2010-11-11 16:16:05 +00:00
14594dc9e2
* OpenMP does not like unbounded array subscripts in function calls
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* some write statements were still not enclosed by CRITICAL construct, some needed a MASTER construct
2010-11-11 13:14:53 +00:00
405d5529e7
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-(((
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* also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 17:22:48 +00:00
0dd99cb965
lattice: (re)introduced _symmetryType function to replace unsafe lookup array
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numerics: polishing
mpie_cpfem_marc: polishing
..powerlaw: aware of symmetryType function
crystallite: aware of symmetryType function, smaller leapfrog acceleration
IO: new warning 101
CPFEM: range of odd stress is now -1e15...+1e15, H_sym is used for stiffness
2010-11-03 14:58:11 +00:00
4c20daa00d
state loop count was wrong for adaptive euler integration
2010-10-28 12:22:17 +00:00
9320d48305
in RKCK45 state integration: dotState was not saved in last Runge-Kutta step
2010-10-27 08:48:04 +00:00
f5f3ef5ecc
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation)
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* in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 14:04:33 +00:00
366d52bd71
* former "relevantRho" and "relevantResistance" is renamed to "atol_rho" and "atol_resistance" and now used as an absolute tolerance for the state residuum. before it was used rather as significant state, so whenever the state dropped below that value it was considered converged. (In dislotwin and titanmod constitutive law there is only one value atol_rho which is used for all the states, though the state array consists not only of densities. We need further parameters here!)
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* somewhat simplified convergence check for adaptive euler and runge-kutta
2010-10-26 13:16:37 +00:00
e49de75fe3
stiffness calculation now only needs a single function call to the respective integrator method instead of one call per grain (which seems to heavily slow down the computation). also no special treatment for non-local material points anymore.
2010-10-15 14:57:13 +00:00
fffe731447
* had to correct nonlocal slip system compatibility and flux calculation. last update gave wrong results.
2010-10-15 13:19:26 +00:00
724960686f
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations"
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* reactivated debugging functionality for "non-standard" integration methods
2010-10-12 13:08:54 +00:00
fce7590c17
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp"
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* now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation
* non-local stuff:
* changed non-local kinetics (Gilman2002)
* enforce zero shearrate for overall carrrier density below relevant density
* enforce zero density for those states that become negative and were below relevant density before
* dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 12:18:49 +00:00
b259fbd9c6
1) added distribution of leapfrog breaks
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2) lattice_symmetryType is now a function (former lookup array was buggy)
3) stricter check of state var values (>0!) and memory deallocation done
2010-09-30 07:31:53 +00:00
83a921eec2
crystallite: polishing
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rest: added "$ID" and line ending settings...
2010-09-23 08:05:50 +00:00
7548858ffa
Some useful changes in damper for quicker convergence.
2010-09-22 08:54:36 +00:00
18c86ca0b1
Updated corresponding files for titanmod constitutive
2010-09-13 09:29:03 +00:00
9a20f742ea
leaner memory requirement to store states and their rates when calculating the crystallite stiffness
2010-09-13 09:13:25 +00:00
a3c92061f9
1) terminallyIll was reset before FE did cutback --> useless extra calculations of same problem over and over...
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2) local stiffness calculation is now standard for non-local grains
3) stressLoopDistribution discriminates between (a) central solution and (b) stiffness perturbation
4) debugger is switched on as standard... (but verboseDebugger not!)
2010-09-06 16:06:41 +00:00
05568ef73b
calculation of state damper was erroneous for use with nonlocal and other constitution at the same time
2010-08-26 12:54:31 +00:00
197d7ea8d9
rearranged output statements in crystallite init for better readability in output file
2010-08-26 09:52:40 +00:00
c352146fe6
exchanged forall (warning causers) to nested do loops
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deleted (currently unused) symmetrization of H tensor in CPFEM.f90 --> Denny pls advise?
2010-08-19 21:35:38 +00:00
298cecbfec
corrected syntax errors (long lines, line continuation by \) and logical mistake in mpie_cpfem_marc / abq_std which went unnoticed in ifort. Using SunStudio f90 surfaced those...
2010-08-03 23:47:00 +00:00
6d874e2c1f
nonlocal stiffness calculation:
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rather perturb all components at once (and optionally decrease the frequency of the Jacobian update with the iJaco parameter) than perturbing only a single component per cycle
2010-06-17 06:32:56 +00:00
3ce1882d29
when calculating dislocation stress at grain boundaries, densities are now extrapolated similarly to like it was already done at free surfaces
2010-06-07 16:01:37 +00:00
9932c90c73
restoring the crystallite.f90, IO.f90 and material.f90 to the version 575. the version 576 of these files contain some uncleared debugging statements.
2010-05-26 16:34:44 +00:00
d114a600c3
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 15:52:54 +00:00
51da3b6242
sorry, in rev 568 some variables were not declared in crystallite_postResults
2010-05-18 12:36:09 +00:00
d96780967b
added some output variables in crystallite: F, Fe, Fp, Ee, P, S
2010-05-18 07:57:13 +00:00
15328e51cf
Like this Euler angles AND grain rotation should be OK.
2010-05-11 15:06:21 +00:00
2405a51042
crystallite:
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- grainrotation calculation now is done with symmetryID 0, i.e. without symmetry reduction since we want the absolute misorientation.
- While math has everything in radians, post results eulerangles and axisangle are given in degrees.
And: grain rotation seems OK after the previous changes in math module.
2010-05-07 12:01:46 +00:00
ea718573ef
return 180° disorientation about 100 for neighbors with different phases
2010-04-29 12:28:51 +00:00
c34c07a6ff
statedamper has to be local (specific for each e,i,g); with a global damping we may produce spurious convergence
2010-04-29 07:41:29 +00:00
79f286f24c
small typo
2010-04-28 17:45:30 +00:00
0b83fa0fb2
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 17:19:58 +00:00
cab2261693
New array crystallite_symmetryID(i,g,e) is now filled during initialization run with 1 for bcc and fcc phase and 2 for hexagonal phase. The values are needed for misorientation calculations to apply the correct symmetry operators for cubic and hexagonal phases.
2010-04-19 10:03:34 +00:00
249042c2d3
New output can be requested from crystallite:
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(output) grainrotation
it gives the deviation from the initial grain orientation
in axis-angle representation with the angle in degrees.
2010-04-12 11:14:36 +00:00
9b5047c828
corrected two OMP CRITICAL terminations
2010-04-06 06:47:15 +00:00
9026cc4016
again corrections. but this version must work.
2010-03-24 16:23:21 +00:00
40b1478dac
the latest RGC model + corrections for "element homogeneous" feature
2010-03-24 13:20:12 +00:00
f4e5d32cde
added flag verboseDebugger to debug in order to have more control about debugging statements
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set this to true if you want extended debugging info in the output file
2010-03-19 14:14:08 +00:00
948c119ee9
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90.
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beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template).
for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 12:23:17 +00:00
e6fdfdfc36
iJacoStiffness belongs to numerics, not debug
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sorry for not having checked that before
2010-03-17 17:00:54 +00:00
Nan Jia