Commit Graph

311 Commits

Author SHA1 Message Date
Christoph Kords 803e1a8c05 In order to help preventing further memory leaks all array sections now have an explicit instead of assumed shape, e.g. Fe(1:3,1:3) instead of Fe(:,:). 2011-02-09 13:12:46 +00:00
Christoph Kords 466ced911e * check convergence for nonlocals also in stiffness calculation mode 2011-02-09 08:39:07 +00:00
Christoph Kords 921967c2ba * found memory leak in nonlocal model! "constitutive_nonlocal_rhoDotFlux" has to have upper index bound of 10 for second dimension, not 8.
* need to recalculate dislocation velocity in postResults, otherwise we take values of last perturbed state! So the following outputs were up to now showing the perturbed state: shearrate, dislocation velocity, all density rates!
2011-02-09 08:28:47 +00:00
Christoph Kords 17a6c0e59b enhanced comment on dislocation kinetics 2011-02-08 12:48:50 +00:00
Christoph Kords 6731659aa4 added hint that extreme values of stress and tangent belong to previous cycle 2011-02-08 12:43:30 +00:00
Christoph Kords 0a30fb739a now reporting extreme values of stress and tangent, that were returned to marc, in output file 2011-02-08 10:25:51 +00:00
Martin Diehl 7a7ca1aab7 mpie_spectral and mpie_interface: changed workingdir from pathToLoadFile to pathToGeomFile
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
Christoph Kords faba13f7fd * now able to introduce some scatter in the initial single dislocation density (only for nonlocal model!) ; setting the parameter "rhoSglScatter" to a positive value generates a gauss distribution for the dislocation density with standard deviation equal to "rhoSglScatter"
* dislocation stress calculation is only done for nonlocal constitution ("/nonlocal/" keyword is present in material.config)
2011-02-04 15:41:32 +00:00
Alankar Alankar b362755457 grain orientation shuffling was skipped for /elemhomo/. no clue why, now dropped... 2011-02-03 17:25:58 +00:00
Martin Diehl fec2c14a4e removed hard-coded tolerances from mpie_spectral and put them to numerics/IO
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
Christoph Kords b72d75ed05 corrected indices in flux density output 2011-01-28 12:49:58 +00:00
Philip Eisenlohr c00a42a9a4 fixed last remaining tensor outputs to their transposed versions 2011-01-27 14:29:06 +00:00
Martin Diehl aa7d5afd94 changed ifort options back to previous ones as -fast is not working 2011-01-26 13:33:44 +00:00
Christoph Kords 05d4d5fef2 * kinetics now according to Mohles; enables solid solution hardening
* changed example in material.config accordingly
2011-01-26 10:17:42 +00:00
Philip Eisenlohr 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
Philip Eisenlohr 4ee40df5ba transposed writing into t16 file (and screen/debug) did not work with just stating array(1:3,:)...
fixed by using math_transpose3x3 (and similar) instead.
2011-01-24 15:02:19 +00:00
Philip Eisenlohr 794aeb253b crystallite and CPFEM now print/output tensors in ij notation (used to be, particularly in the t16, ji, i.e. transposed...)
math reports random seed used for rnd() generation
2011-01-20 19:25:45 +00:00
Martin Diehl b546d3bb91 some corrections regarding Multicore-support on mpie_spectral.f90 and makefile
slight changes on mpie_spectral.f90 regarding file output
2011-01-12 17:02:42 +00:00
Christoph Kords 062c6b3d54 * allow zero cutoff radius
* added missing error codes
2011-01-12 12:36:48 +00:00
Christoph Kords d92f992eb7 if nonlocal ip has local neighbor assume perfect transparency of the (perhaps virtual) phase boundary. this is only a quick fix! need to rethink the way constitutive and real boundaries are treated! 2011-01-11 18:00:29 +00:00
Christoph Kords 6a3dd78259 fluxes are disabled when keyword "/nonlocal/" is omitted in the material.config (this is a way to use the constitutive_nonlocal model as a local dislocation based model) 2011-01-11 14:55:36 +00:00
Martin Diehl ccc6aac10b did not delete mpie_spectral2.f90 properly 2011-01-07 13:11:32 +00:00
Martin Diehl 71fb5eedf2 changed makefile: material subroutines are now compiled using openmp, enabled linux threads for fftw3 (also did some slight changes to enable that in the fortran source code)
renamed mpie_spectral2.f90 to mpie_spectral2d.f90 (testing file, not properly working at the moment)
changed file extension and variable names in mpie_spectral.f90 and mpie_spectral_interface.f90 from "mesh" to "geom". Removed direct output from mpie_spectral.f90, all output is now base on materialpoint_results(:,1,:)
2011-01-07 12:56:45 +00:00
Franz Roters 9447330ab0 ATTENTION repository has been moved to new server!
Now at musvn1:/home/svn/repos/cpfem
2011-01-05 16:11:51 +00:00
Franz Roters 096a4803b0 some polishing concerning openMP initialization
number of threads is now written to *.out file
2010-12-02 11:04:29 +00:00
Denny Tjahjanto 36f27edd75 1. Adding more comments
2. Changing 'subroutine' into 'function' for optimizing the computation time
2010-11-26 11:50:20 +00:00
Christoph Kords 6b199e7830 allow 2digit values to be read in for MPIE_NUM_THREADS 2010-11-25 10:34:55 +00:00
Christoph Kords ea6a6c9503 * environment variable MPIE_NUM_THREADS now determines number of threads used in parallel regions
* default value of the OMP_NUM_THREADS variable has to be restored at the end of mpie subroutine, since marc also seems to use and change(!) this 
* usage: "export MPIE_NUM_THREADS=<number of threads>" to set variable in shell, then restart mentat and compile with option 3 (at the moment this does only work on ws 6, since all other workstations use compiler option "-save"; this puts all local variables by default in static memory, which is a killer for parallelization!)
2010-11-19 17:45:27 +00:00
Christoph Kords b9b226548c * enclose wall time measurement for LpAndItsTangent and count of leapfrogbreaks by CRITICAL construct
* 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
Christoph Kords 15728d3305 enclose wall time measurement for dotState and dotTemperature function by CRITICAL construct 2010-11-19 17:19:03 +00:00
Christoph Kords 4f267f4375 parallelization now works properly (not yet tested extensively though):
* 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
Christoph Kords 14594dc9e2 * OpenMP does not like unbounded array subscripts in function calls
* some write statements were still not enclosed by CRITICAL construct, some needed a MASTER construct
2010-11-11 13:14:53 +00:00
Christoph Kords bca951325d * cpfem will now produce a warning if all components of the stiffness tensor are close to zero 2010-11-04 18:18:01 +00:00
Philip Eisenlohr 54748bb6a5 cycleCounter reset was 0 now -1 ==> occurence of jacobian calculation is now correct, i.e. always calc at start of new increment 2010-11-04 18:15:50 +00:00
Christoph Kords 405d5529e7 * checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-(((
* 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
Philip Eisenlohr 0dd99cb965 lattice: (re)introduced _symmetryType function to replace unsafe lookup array
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
Denny Tjahjanto 763c20b302 Introducing the capability to restart jobs that crashed in the middle of sims. At the moment, this feature is exclusive for Marc.
Major changes:

CPFEM.f90 => 
1. Moving the initialization out of CPFEM_general into a separate subroutine, which is directly called by the hypela2 (Beware, the Abaqus version must also be modified in order to adapt with this change).
2. Restore primary state variables in CPFEM_init from binary files when requested (Marc flag: restart read).
3. Writing primary state variables into binary files (Marc flag: restart write).

FEsolving.f90 =>
1. Adding functions to recognize Marc restart flags: read and write and the corresponding restart file (parent job).
2. Change the initial value of cycleCounter = -1 in conjuction with the change made the ping-pong scheme

homogenization_RGC.f90 =>
1. Just syntax polishing.

IO.f90 =>
1. Adding functions/subroutines to open binary files for writing the primary state variables for restart purpose.

mpie_cpfem_marc.f90

1. Modification of the general scheme for collection and calculation in order to accommodate the newly added restart feature.
2010-11-03 14:39:18 +00:00
Christoph Kords 4c20daa00d state loop count was wrong for adaptive euler integration 2010-10-28 12:22:17 +00:00
Martin Diehl 17812c1f9e added raw output, gmsh output is still included 2010-10-27 17:15:49 +00:00
Christoph Kords 9320d48305 in RKCK45 state integration: dotState was not saved in last Runge-Kutta step 2010-10-27 08:48:04 +00:00
Christoph Kords f5f3ef5ecc * have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation)
* 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
Christoph Kords 4439282239 no change to previous version, just forget to mention one important change of the last revision:
* fluxes are now again calculated and distributed only! by the originating material point. this means that the central MP might change the dotState of its neighbor. have to see whether locks slow down parallel computation
2010-10-26 13:49:58 +00:00
Christoph Kords 62d06001ea * corrected compatibility for screws (always positive)
* detection of grain boundary in constitutive_nonlocal_microstructure with the help of transmissivity
* enforce positive densities in constitutive_nonlocal_microstructure (needed because dotState does not create cutbacks for negative densities anymore)
* reset single mobile densities below certain threshold to zero (also done in constitutive_nonlocal_microstructure)
* constitutive_nonlocal_kinetics only gets local state variable as input, no need for the entire array here
* dv_dtau is always positive
* multiplication is only active when there is already some initial density of the respective type
2010-10-26 13:42:18 +00:00
Christoph Kords 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!)
* somewhat simplified convergence check for adaptive euler and runge-kutta
2010-10-26 13:16:37 +00:00
Martin Diehl 26cb618b6d changed calculation to small strain/cauchy stress 2010-10-20 11:27:10 +00:00
Martin Diehl da35eaa8a1 changed spectral algorithm to version proposed by Ricardo 2001 (using tau_field instead of stress_field).
Still using largestrain-formulation
2010-10-20 09:27:47 +00:00
Martin Diehl 3837dad51e fixed bug in mpie_spectral.f90 concerning spectral method (now deltaF hat get the right value)
added mpie_spectral2.f90, a version that should get the new algorithm proposed in 2010. until now, it is the same as mpie_spectral.f90 (large strain formulation by suquet et al) but with c2c, c2c FFT
2010-10-20 08:59:00 +00:00
Christoph Kords 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
Christoph Kords fffe731447 * had to correct nonlocal slip system compatibility and flux calculation. last update gave wrong results. 2010-10-15 13:19:26 +00:00
Philip Eisenlohr 61f8a5fcbe corrected UpperCase "SolidSolutionStrength" in config file parsing. 2010-10-15 12:59:00 +00:00