Commit Graph

590 Commits

Author SHA1 Message Date
Martin Diehl 42f8b0a063 labels of slip and twin systems for more self-explanatory output 2018-08-28 12:27:56 +02:00
Martin Diehl 94695f773e more verbose and works for arbitrary precision 2018-08-28 07:47:05 +02:00
Franz Roters 38fd517c44 Merge remote-tracking branch 'remotes/origin/36-faster-file-handling-for-material-config-use-stream-access-instead-of-line-wise-reading' into development 2018-08-27 15:13:16 +02:00
Martin Diehl b11666effa Merge branch 'development' into 38-introduce-rudimentary-PETSc-based-FEM-solver 2018-08-26 13:59:50 +02:00
Martin Diehl a5f139b786 unused variables 2018-08-26 11:53:18 +02:00
Martin Diehl 241b2ade8b more portable way to define PI
https://software.intel.com/en-us/forums/intel-visual-fortran-compiler-for-windows/topic/490432
and compiler will not complain about truncation
2018-08-26 11:40:38 +02:00
Martin Diehl 22a232ad08 bug: memory access out of bounds
introduced when moderninzing reading in of parameters
2018-08-25 15:50:43 +02:00
Martin Diehl 7ecb7689f1 Intel compiler failed with SIGSEV
derived types, pointers, finalize .... altogether seems to bring both Compilers to their limits.
I cannot see what was wrong before, but now it works and might be a little faster
2018-08-23 00:13:57 +02:00
Martin Diehl 271b9ba76b intersting note ... 2018-08-22 23:28:47 +02:00
Martin Diehl 8c5f3d4e07 only needed once 2018-08-22 22:52:12 +02:00
Martin Diehl 51b4ef319a HDF5 was not compiled due to missing dependency 2018-08-22 20:12:16 +02:00
Martin Diehl dc596e6789 zero termination does not work 2018-08-22 18:09:17 +02:00
Martin Diehl 1a943df97e small flaws 2018-08-22 17:52:00 +02:00
Martin Diehl ab45818d51 seems to work now
anyway, nicer code
2018-08-22 14:30:51 +02:00
Martin Diehl 1b5623ad6c avoid out of bound access, removed unneeded stuff 2018-08-22 14:22:37 +02:00
Martin Diehl 037ab3d081 getTag works now for tags with the same start and close tag
needed for '/echo/'. Still suggest to rather use /echo\
2018-08-22 13:10:59 +02:00
Martin Diehl 52088691d1 improved linked list and fixed solution for strange bug
Bug: Using automated LHS re-allocation for a string array that with global scope seems to cause trouble
     Hence, "parse_file" works with a local string and assings only once to it

Linked_List: Now storing data in the list head also and last element is always empty.
             Finalize allows simple handling of deallocation
2018-08-22 11:51:23 +02:00
Martin Diehl 52002f654e to converge at one point to one (or two) string lenth values 2018-08-22 09:14:16 +02:00
Martin Diehl 0068dba40f Merge branch 'development' into 36-faster-file-handling-for-material-config-use-stream-access-instead-of-line-wise-reading 2018-08-22 09:11:33 +02:00
Martin Diehl 4d432e5462 Merge branch 'development' into 38-introduce-rudimentary-PETSc-based-FEM-solver 2018-08-21 23:03:56 +02:00
Martin Diehl 0fa902100c Merge branch 'development' into 39-simplify-obscure-numerics-integration-mode 2018-08-21 22:59:57 +02:00
Martin Diehl 61070fd908 Merge branch 'development' into 37-include-hdf5-routines 2018-08-21 22:46:30 +02:00
Martin Diehl 8de321382f using final seems to be the better approach
http://www.training.prace-ri.eu/uploads/tx_pracetmo/AdvFTN_handout.pdf
still needs in-depth analysis, even though I cannot reproduce 'terminally ill'
2018-08-21 08:14:59 +02:00
Martin Diehl d146417abe hot fix for terminally ill with gfortran 7.3
might be a bug in the compiler or in the linked list.
waste some memory at the moment...
check linked list carefully before enabling again and blaming gfortran
2018-08-21 07:41:10 +02:00
Martin Diehl 465d950ab1 gfortran 7.3 and optimized code still gives 'terminally ill' 2018-08-21 07:09:50 +02:00
Martin Diehl 60f56255e4 [skip sc] [skip ci] simplified interfacing 2018-08-20 23:14:49 +02:00
Martin Diehl 69ad600916 more explicit file opening
still having trouble with Gfortran 7.3 and no numerics.config
2018-08-20 22:36:55 +02:00
Philip Eisenlohr 87a8a9536b absTol for divergence was way too tight 2018-08-20 16:34:43 -04:00
Martin Diehl c78396dd78 randomized FILEUNIT
matrix inversion error when numerics.config is not there or not present
very strange
2018-08-20 22:11:53 +02:00
Martin Diehl e47677738a more verbose error 2018-08-20 17:57:15 +02:00
Martin Diehl 031c59954f working directory is changed automatically 2018-08-20 17:45:34 +02:00
Martin Diehl 29cd8fa5e2 Merge branch 'development' into 36-include-hdf5-routines 2018-08-20 17:35:32 +02:00
Martin Diehl dbed7056e5 [skip sc] cleaning 2018-08-20 17:08:33 +02:00
Martin Diehl 93562d5142 mapping of elements etc not needed for PETSc-based FEM and spectral
solvers
2018-08-20 16:42:47 +02:00
Martin Diehl e3e905938e all elements are CP elements 2018-08-20 16:23:05 +02:00
Martin Diehl 3e4c878304 using shared interface for spectral and FEM solver
group_scalar seems inappropriate as integers are also scalars. renamed
to group_float (is actually usually of double precision).

think about better name, types should have a t prefix. tgroupFloat?
2018-08-20 16:09:40 +02:00
Martin Diehl b8d56ae320 unfified interface for spectral and FEM solver
Note: extension to load case and geometry is not added automatically
anymore!
2018-08-20 15:59:13 +02:00
Martin Diehl f29a5b3df3 not used at all 2018-08-20 13:15:44 +02:00
Martin Diehl 543c49426f Merge branch 'development' into 38-introduce-rudimentary-PETSc-based-FEM-solver 2018-08-20 09:09:15 +02:00
Martin Diehl 3a097d1099 Merge branch 'development' into 36-faster-file-handling-for-material-config-use-stream-access-instead-of-line-wise-reading 2018-08-20 09:04:28 +02:00
Martin Diehl 8fb780ab42 now compiles with gfortran 2018-08-20 09:01:13 +02:00
Martin Diehl d6c69e3a18 Merge branch 'development' of magit1.mpie.de:damask/DAMASK into development 2018-08-18 23:17:07 +02:00
Martin Diehl 85358bae1b copy and paste error 2018-08-18 21:30:57 +02:00
Martin Diehl 97659c359a MPI write only in case that PETSc is used 2018-08-18 21:01:25 +02:00
Martin Diehl 3b3e0bc068 forgotten use 2018-08-18 17:11:50 +02:00
Martin Diehl 67314fc204 leftover from reducing numerics_integrator to scalar
postponed simplification to scalar because of heavy modification in plastic
constitutive laws
2018-08-18 16:42:32 +02:00
Martin Diehl 2618593568 :Merge branch 'development' into Integration-Mode-Confusion 2018-08-18 16:37:25 +02:00
Martin Diehl f7c20d74af compiles now, but most likely does not work 2018-08-18 15:58:42 +02:00
Martin Diehl 0d8f17cbe6 adjusting to PETSc 3.9.x 2018-08-18 14:05:57 +02:00
Philip Eisenlohr c03ea8f5c7 added forgotten C66(2,2) read-in from parameter database 2018-08-17 15:43:09 -04:00
Philip Eisenlohr 62d2806fe1 Merge branch 'development' of magit1.mpie.de:damask/DAMASK into development 2018-08-17 14:59:00 -04:00
Martin Diehl d4bcfae82b WIP: adopting to PETSc 3.9.x and modifications in development branch 2018-08-17 12:00:44 +02:00
Martin Diehl 821860987c copied existing files 2018-08-17 00:14:25 +02:00
Martin Diehl 26b08bc21b Merge branch 'development' into 36-faster-file-handling-for-material-config-use-stream-access-instead-of-line-wise-reading 2018-08-16 23:39:14 +02:00
Martin Diehl b64b5b82de integrationMode was always 1, very obscure code
was most likely the leftover of old functionality
2018-08-16 23:33:39 +02:00
Philip Eisenlohr 66e68151ea Merge branch 'development' of magit1.mpie.de:damask/DAMASK into development 2018-08-13 18:28:59 -04:00
Philip Eisenlohr ba215ed9ea small polish 2018-08-13 18:27:51 -04:00
Martin Diehl 5337fb1229 old runtime debugging leftovers 2018-08-05 11:08:17 +02:00
Martin Diehl c0adb61350 outdated description 2018-08-05 10:41:01 +02:00
Martin Diehl 60fc47ca2a unused import 2018-08-05 09:41:27 +02:00
Martin Diehl 386c3e7797 Merge branch 'development' into 36-faster-file-handling-for-material-config-use-stream-access-instead-of-line-wise-reading 2018-08-05 06:04:33 +02:00
Martin Diehl 661636d83e default values needed to suppress error in case of missing key 2018-08-04 22:53:56 +02:00
Martin Diehl f522f79703 Merge branch 'development' into 35-new-style-of-reading-in-parameters-in-lattice 2018-08-04 22:42:14 +02:00
Martin Diehl 6a4260ac07 Merge branch 'development' of magit1.mpie.de:damask/DAMASK into development 2018-08-04 22:29:52 +02:00
Martin Diehl 9360c171a1 polished for merge
access to array(n+m:) is safe for array of size n with m>1
2018-08-04 19:39:50 +02:00
Martin Diehl 20d1264d07 small improvements
default case of error handling, checking for recursion limit, some
comments to also understand it later
2018-08-04 13:58:01 +02:00
Philip Eisenlohr 8edeeaf213 renaming of p_vec and friends to names based on "group" 2018-08-03 19:39:14 -04:00
Martin Diehl 8c07825d7e Merge branch 'development' into 36-faster-file-handling-for-material-config-use-stream-access-instead-of-line-wise-reading 2018-08-03 22:21:37 +02:00
Martin Diehl 5b409fd6f7 type mismatch 2018-08-03 16:16:50 +02:00
Martin Diehl f0645d84f5 not a target anymore 2018-08-03 15:10:38 +02:00
Martin Diehl b8e8193001 many imported functions not used anymore, moving parameters to structure 2018-08-03 11:10:22 +02:00
Martin Diehl 38183fdbf6 Merge branch 'development' into 36-faster-file-handling-for-material-config-use-stream-access-instead-of-line-wise-reading 2018-08-03 08:57:44 +02:00
Martin Diehl dc6855261a number of helper functions for HDF5 2018-08-03 08:53:37 +02:00
Martin Diehl c2f9709567 leaner, most of it also supported by older gcc 2018-08-03 08:42:26 +02:00
Martin Diehl af931a78c7 finalizing reading in 2018-08-03 08:09:28 +02:00
Martin Diehl 68c476f690 Merge branch 'development' of magit1.mpie.de:damask/DAMASK into development 2018-08-03 07:56:02 +02:00
Martin Diehl 0a6bde70c5 Merge branch 'development' into 19-NewStylePhenopowerlaw 2018-08-03 06:56:43 +02:00
Martin Diehl 5d09e98e02 checking with Philip 2018-08-03 01:14:18 +02:00
Martin Diehl 3cceda5fe3 Merge branch 'development' into 31_consistent_wd 2018-08-03 00:08:16 +02:00
Pratheek Shanthraj bc3f6ae97c missing bits in getStrings function 2018-07-31 23:15:44 +02:00
Martin Diehl a908e66306 WIP: reading in new style 2018-07-30 11:58:59 +02:00
Martin Diehl ed97afb51c WIP: inherent definition instead of check, using new reading in functionality 2018-07-29 21:18:04 +02:00
Martin Diehl 5eed7d06e9 Merge branch 'development' of magit1.mpie.de:damask/DAMASK into development 2018-07-29 20:29:55 +02:00
Martin Diehl 449449b500 does the same as numpy.clip 2018-07-28 01:31:02 +02:00
Martin Diehl 1c83f841aa don't depend on any shear band parameters if sbVelocity is switched of 2018-07-20 17:52:15 +02:00
Martin Diehl e7fd445816 WIP: Simplifying
using maxval gives inherently correct values and a consistency check is not needed any more
using config_phase capabilities to read in lattice related data
2018-07-20 14:13:13 +02:00
Martin Diehl 8554279351 outputID is not of default integer type (causes trouble with MSC.Marc) 2018-07-20 04:02:49 +02:00
Sharan Roongta 3f285d3a3f polishing: prm replaces param(instance) 2018-07-17 19:29:39 +02:00
Martin Diehl a3037a6064 cmpftwin was not read in 2018-07-17 18:02:55 +02:00
Martin Diehl b3a6aabdc5 cthresholdtwin was not read in!
polished and commented
2018-07-17 12:32:57 +02:00
Martin Diehl edcf97ea59 associate: clearer code and no performance drawbacks 2018-07-16 22:02:31 +02:00
Martin Diehl df42e9ed88 using associate avoids performance issues related to pointers 2018-07-16 21:37:26 +02:00
Martin Diehl e0e03827c5 simplified 2018-07-16 21:14:33 +02:00
Martin Diehl fb1265db3d checking for existing file 2018-07-16 20:08:31 +02:00
Martin Diehl fc0499a9bb bug fixes and polishing
bugs: wrong bracket in calculation of threshold_stress_twin
      3**b_twin instead of 3*b_twin in calculation of threshold_stress_twin
      ph instead of instance in calculation of mfp_twin
2018-07-16 19:53:26 +02:00
Martin Diehl a1ad18c88a 256 characters is enough for material.config
larger values waste memory and decrease readability.
Still need to discuss how geom files are handled, for them longer limits make sense
2018-07-16 12:08:22 +02:00
Martin Diehl 7f05bf9c0a leftover variables not needed anymore 2018-07-16 11:54:46 +02:00
Martin Diehl b26c4a39ef store raw material.config 2018-07-16 11:42:58 +02:00
Martin Diehl 3f7a1d1c07 function to read and store complete text file
reading as stream avoids costly repeated call to 'read'. Requires of course more memory, but that should be fine
also, recursion case ('{}') is internally handled. Old recursive was error prone and buggy when rewining (see 'reset' option)
2018-07-16 11:40:42 +02:00
Martin Diehl bc5fcf2c14 leftover variable from cleaning 2018-07-16 10:51:42 +02:00