98528f9a89
added possibility for multi-level inclusion of files in *.config and loadcase files.
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include subfiles by stating
{path/to/include}
2013-06-26 19:19:00 +00:00
1c25403b5b
changed default values of AL spectral solver tolerances. should've been done along with commit 2254.
2013-06-12 10:06:04 +00:00
c7ba8a2a9b
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 17:52:46 +00:00
8b2d9d8155
further improvements on implementing the plain mode
2013-04-16 17:07:27 +00:00
ddcc795461
allowed arbitrary grid (formerly know as resolution), i.e. any integer>1 in each dimension is possible.
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removed square root correction for divergence (doesn't make sense)
fixed FFT debug of spectral solver
2013-04-10 10:19:16 +00:00
965ab38217
corrected error bounds for spectral parameter "maxCutback"
2013-03-28 16:04:47 +00:00
7f37f55904
added missing line continuation in numerics and explicit private statements in the other files
2013-03-28 10:37:00 +00:00
d2ae06015a
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 10:02:11 +00:00
15b6242585
set more appropriate default values for spectral solver tolerances (abs stress BC was at huge())
2013-03-26 16:36:52 +00:00
e6f6c22a30
polished Abaqus Standard, changed inclusion of OMP functionality from "spectral style" (include) to "marc style" (use) to prevent explicit from crashing
2013-03-25 18:25:15 +00:00
02f092492e
updated copyright header
2013-03-22 17:35:05 +00:00
dd06d07e1c
set default number of iteration for spectral solver to 250 instead of 40, abaqus doxygen now does the correct inclusion (everything appeared twice before)
2013-03-14 23:10:02 +00:00
1779510dda
remove some unused variables, set default value for divergence calculation to 1.e-5 and made calculation independent of dim and res
2013-03-12 18:48:28 +00:00
0209a1d5a7
restructured AL solver to resemble polarization scheme and introduced alpha and beta parameters in numerics to determine what kind of solution you want. alpha = beta = 1 results in the AL scheme. alpha = beta = 2 results in the accelerated scheme. safe values are anything in between. changed the solver to use stress calculations on the campatible field which seems to result in faster convergence.
2013-02-28 17:35:02 +00:00
59da88460e
preparation for introduction of plain mode and restructuring of calc modes for CPFEM_general
2013-02-27 20:41:14 +00:00
07ff1f7c93
reporting current time for most module inits
2013-02-25 16:34:59 +00:00
a98be4e0cf
IO_error and IO_warning crashed for string of zero length (or only containing whitespaces), fixed now.
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Also added BEGIN and END statement to numerics in case of non-presen DAMASK_NUM_THREADS, would prevent this error and is better for debugging
2013-02-20 21:56:59 +00:00
c7c81a5ab5
removed unused variables and declared external functions as external
2013-02-11 09:44:17 +00:00
e9f351c69b
forgot to commit
2013-02-08 15:56:58 +00:00
c6a79d2b3d
divergence_correction for basic solver variants has now 3 possibilities:
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0: uncorrected, slope per sidelength (physical dimension) e = res/dim
1: corrected by sidelength, slope per unitlength e = res/1
2: corrected such that distance between FPs e = 1
alway regarding the medium length of x,y,z direction
2013-01-16 10:40:53 +00:00
0d5e91ac87
corrected reporting of basic PETSc variant and unified reporting of all spectral solvers
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improved warning and error in IO, now able to report correctly elements up to 9 digits
2013-01-09 22:19:32 +00:00
738f363263
corrected small issues with PETSc debugging
2013-01-03 16:17:23 +00:00
5c0c7121e7
made PETSc silent by removing -snes_view from default options.
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introduced PETSc option for debugging that introduces some debugging options into the petsc options and move PETSc initialization from numerics to DAMASK_spectral_utilities
2012-12-15 18:07:49 +00:00
566b680319
made new spectral solver the default (no need for SOLVER=NEW anymore) and added additional warnings switche to be used with gfortran >= 4.6
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added comments
2012-12-15 16:21:10 +00:00
b1f28ba5e7
made restart working for all solvers and added corresponding test
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corrected error handling for FFT based function in case of odd numbers etc.
2012-12-14 17:30:22 +00:00
7b87987751
introduced option for regridding to numerics.f90, working as follows:
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first cut back is tried if material point model oder BVP solver does not converge.
If no regridding is enabled after max cut back, in case of non-converged material point the simulation stops and in case of non-converged BVP solver it continues.
set regridMode to 2 to enable regridding if BVP solver OR materialPoint model do not converge,
set regridMode to 1 to enable regridding if materialPoint model do not converge, non-converged BVP solver will be ignored as in the standard case.
For regridding, the load case need to have a restart freq set.
enabled restarting for Basic PETSc variant
2012-12-14 15:18:04 +00:00
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
3ada4897fb
reordered PETSc initialization (now first part done in interface, setting of parameters done in numerics), removed unnecessary includes for PETSc
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still not running with gfortran, use at own risk!
2012-11-06 16:00:51 +00:00
d5ce49c471
numerics got some protected statements and is now reading in the new keywords for the solver selection in small letters.
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spectral solver got cut back facilities + improved output to screen
2012-10-02 15:26:56 +00:00
d0fd3c03c5
forgot to check in; belongs to rev 1762
2012-09-24 16:22:25 +00:00
8ed69170c5
corrected wrong warning complaining about FFTW string when DAMASK_NUM_THREADS undefined
2012-09-14 16:39:42 +00:00
1cfc467705
added new cut back parameter for spectral solver and instrumented variables for use with doxygen
2012-09-13 09:48:38 +00:00
8e3b547cbd
changed numerics.f90 back to the old openmp statement as this doesn't seem to cause the problem and is standard conforming
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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
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
5e9e8497e6
new solver is now compiling without a PETSc installation, however only the plain basic solver is available then.
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also removed reporting of PETSc related variables in the case it is not installed/found
2012-08-28 19:19:47 +00:00
c2c31a0a59
added SolverBasicPETSC module to the new FFT solver (solves the basic scheme using PETSc when mysolver = basicpetsc in numerics.config)
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some bug fixes
2012-08-14 16:58:23 +00:00
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
32f8c9c6ea
moved petsc option string to numerics and added new numerics parameters to config file
2012-08-06 17:27:53 +00:00
7e3a837640
moved calculation and output of geometry related data to mesh.f90, moved output of command line related information to DAMASK_spectral_interface.f90.
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improved new solver structure (use with make SOLVER=NEW)
2012-08-06 12:43:05 +00:00
e2a2621235
updates for AL version of spectral solver
2012-08-06 08:53:12 +00:00
4ed68bb4ae
next round in modularization
2012-07-25 14:01:39 +00:00
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
b2fd3e1180
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only.
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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
5b7f2e122e
fixed usage of OpenMP function library
2012-06-12 09:44:05 +00:00
37fa6c2e14
merged code for python and spectral solver interfacing (shared most of it anyway).
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put functionality for getting header information (dimension, homogenization, resolution) in functions in mesh.f90
2012-04-11 17:28:08 +00:00
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
17826d7c98
now initializing planner flag for fftw with useful value even if init wasn't executed
2012-03-26 10:03:39 +00:00
7947ae36b3
changed default value of err_div_tol
2012-03-22 10:33:54 +00:00
dbdc7ddfa2
debug.config, debug.f90, DAMASK_abaqus_exp.f, DAMASK_abaqus_std.f: changed to new debug scheme (wasn't working)
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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
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
2a7888c7e1
removed (in IO.f90) a dangerous initialization statement.
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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
17e9698659
added time_sensitive flag to ignore or add time sensitive component to analytic jacobian (should be close to perturbed jacobian when ignored)
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now uses sub_dt for analytic jacobian calculations
bug fixes
2012-03-01 19:42:43 +00:00
1042ac018f
output values used for Lp_frac and analyticJaco
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improved comment for Lp_frac on numerics.config
2012-02-24 08:21:18 +00:00
a98832100f
introduced itmin parameter for spectral code for defining minimum number of cycles
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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
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
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
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
f03e7c459c
small polishing, exchanged stops in math.f90 with calls to IO_error
2012-02-13 14:08:07 +00:00
cff66b5cc3
removed implicit type castings
2012-02-10 11:24:53 +00:00
195491aaaa
added missing pInts
2012-02-09 12:35:55 +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
9464937db7
merge declaration and initialization with standard values
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corrected handling of $DAMASK_NUM_THREADS
2012-01-30 20:16:19 +00:00
eeda357710
N^2 initialization loop (former spectralPictureMode) rewritten in material.f90
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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
3e521e32a6
indroduced 3 more flags for fine control of spectral algorithm
2012-01-25 08:56:46 +00:00
3a22bf7e27
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly)
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renamed "steps" consequently to "incs"
moved kdtree2 to math.f90, put original source to private folder
2012-01-13 16:18:16 +00:00
ace6851389
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly.
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polished math.f90 (mainly added _pInt/_pReal and intent(in/out))
curl_fft is still a dummy function
2011-12-01 12:01:13 +00:00
566f16b6e9
implemented calculation of divergence in real space, polished spectral debugging
2011-11-21 18:12:40 +00:00
5ef73e164a
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding
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introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config
added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor)
added precision directive to all values I found
2011-11-15 17:54:18 +00:00
ee7022d8cf
correctet random seed generation to work with gfortran.
2011-11-04 10:29:35 +00:00
15c356c3a7
some small improvements regarding the rotation of the loadcase frame
2011-10-25 13:38:24 +00:00
c13aa2a829
first try of implementing a rotation of the loadcase coordinate system. Seems to work so far for one loadcase and homogeneous materials.
2011-10-24 18:26:34 +00:00
a8a53ee525
added two parameters to control behavior of FFTW, timelimit is not working at the moment
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remove fftw3.f as it is not needed anymore
!incremental update, wait for commit of damask_spectral.f90 before checking out
2011-10-18 09:16:18 +00:00
c7c541f393
corrected typos and such
2011-09-13 15:57:58 +00:00
4fb1cb8f87
merged calcmodes, i.e. equilibrium and fulfilling of stress BC is done in one step,
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made convergence independent of size and resolution,
polishing output in DAMASK_spectral.f90
added function to compute eigenvalues without eigenvectors and function to convert a 3x3 logical to a 9 vector in math.f90
removed obsolete variable in numerics.f90
2011-08-26 14:06:37 +00:00
907965272b
added option to build DAMASK_spectral without openMP (make OPENMP=OFF)
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fixed bug in bc_temperature assignment that was hitting memory.
Temperature is taken from the first loadcase and evolves from there in an adiabatic fashion for the moment. I.e. T-specifications from later loadcases are ignored...
2011-08-03 17:57:28 +00:00
aa714a3d84
some textconstants were wider than specified in the format string, this might have caused Abaqus to crash due to an illegal memory reference (signal 11)
2011-07-29 14:54:26 +00:00
72d20875de
added some switches and variables to the makefile to make it more flexible
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DAMASK_spectral.f90 is a "debug version" with a number of different criteria to determine divergence. will be removed later on.
2011-07-25 16:30:21 +00:00
8153cd50b4
added spectral numeric parameters to numerics.config, changed values for spectral numeric parameters in numerics.f90 to more suitable values for new method for determination of divergence in Fourier space
2011-07-11 14:28:56 +00:00
2418dfe96d
changed MPIE_NUM_THREADS to DAMASK_NUM_THREADS
2011-05-28 09:42:25 +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
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
430966eb20
sorry, forgot to commit the numerics.f90, too
2011-02-23 12:30:52 +00:00
8dd1a694a3
extended IO to cope with different name for solverJob and Model
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polishing, added error codes
added FFTW library files
2011-02-21 14:37:38 +00:00
7a7ca1aab7
mpie_spectral and mpie_interface: changed workingdir from pathToLoadFile to pathToGeomFile
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mpie_spectral and numerics: added switch to prevent pre calculation of gamma_hat. slower, but saves memory
3Dvisualize: started to add support for gmsh (not fully working yet)
reconstruct: new version of f2py/Fortran subroutines for output of results from spectral method
2011-02-07 14:35:42 +00:00
fec2c14a4e
removed hard-coded tolerances from mpie_spectral and put them to numerics/IO
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removed storage of full cauchy stres field from mpie_spectral.f90, only average is stored now
added cauchy stress and von mises equivalent calculation to spectral post.
2011-01-31 17:07:42 +00:00
096a4803b0
some polishing concerning openMP initialization
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number of threads is now written to *.out file
2010-12-02 11:04:29 +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
3c502561ee
added matrix multiplication 3333x33 to math.f90
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added some parameters for spectral method to numerics.f90 (tolerance)
changed error message concerning spectral method in IO.f90
corrected calculation of stress BC in mpie_spectral.f90
2010-10-13 16:04:44 +00:00
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
dba4ae7ef1
new numerics parameter "defgradTolerance" replaces "relevantStrain" in cpfem, since "relevantStrain" is also used in crystallite but in a different context.
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"defgradTolerance" gets the same standard value as "relevantStrain" so calculations should be consistent with older ones
2010-05-20 14:55:11 +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
8c8ed34356
reworked crystallite part to allow for flexible user output
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--> new "crystallite" part in config file
--> new "crystallite" option for microstructures
--> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 17:39:11 +00:00
3ab5cdc770
Additional feature to the RGC scheme: The volumetric consistency constraint. This is implemented by penalizing any volumetric discrepancy which occurs due to severe relaxation. The penalty for volume inconsistency is described using a power-law model. The setting for this function can be done in the numerics.config via three new parameters, i.e., maxvoldiscrepancy_RGC, voldiscrepancymod_RGC and discrepancypower_RGC. For monintoring, an extra output variable in prescribed in the material.config in the RGC section, namely "(output) volumediscrepancy".
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IO.f90 and numerics.f90 has been modified accordingly to accommodate these changes
2009-12-16 16:20:53 +00:00
59d22d47b2
introduction of a possibility to have homogeneous element (all ips in one element are identical, sort of reduced integration)
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and bugs-fixing in crystallite.f90, homogenization_RGC.f90, numerics.f90.
2009-11-24 15:00:25 +00:00
6702cb3baa
Introduction of a numerical viscosity into the RGC scheme to improve the convergent behavior and the numerical stability of the scheme (see: homogenization_RGC.f90). These changes have been incorporated in all related subroutines (homogenization.f90, IO.f90, numerics.config and numerics.f90).
2009-11-17 13:42:38 +00:00
Philip Eisenlohr