Commit Graph

3896 Commits

Author SHA1 Message Date
f.basile 8277d88799 new interaction matrix for bcc from Madec2017 2021-05-07 10:42:47 +02:00
f.basile cc855be822 new interaction matrix for FCC, 1,2,3,4 are unchanged, 5 can now be 5 or 6, old 6-12 are add +1 and now are 7-13 2021-05-07 10:32:31 +02:00
f.basile d64ad82ce0 use negative numbers to have unique names for the {112} slip system in BCC 2021-05-07 10:24:04 +02:00
Martin Diehl 1eb1e54f78 adjustment to new structure/names was missing
reason: test missing/not good
2021-05-06 08:47:30 +02:00
Martin Diehl c8cdd7e622 better numerical parameters for thermal solver/PETSc
works for realistic values for thermal problems
parameters copied from spectral_damage
2021-05-05 18:14:53 +02:00
Martin Diehl b353f8ed92 workaround for HDF5: https://forum.hdfgroup.org/t/6186
writing chunked/compressed data can cause problems with MPI. Even though not 100%
clear from the reference, it seems that the issue only appears for HDF5
< 1.12.
Of special importance for Ubuntu since the Debian package is still at 1.10.6
2021-05-03 18:19:06 +02:00
Sharan Roongta 6c92e8d2cc belongs to elastic submodule 2021-04-29 16:16:51 +02:00
Sharan Roongta e795e72df7 new names 2021-04-29 14:24:19 +02:00
Sharan Roongta 7e9133621a Merge remote-tracking branch 'origin/development' into internal-restructure 2021-04-28 23:24:02 +02:00
Philip Eisenlohr e9cfb2f968 Merge branch 'drop-old-DADF5-support' into 'development'
Improvements to damask.Result

See merge request damask/DAMASK!373
2021-04-27 00:33:41 +00:00
Franz Roters 55333f7e3e Merge branch 'no-shell-variables' into 'development'
KISS: no shell variables

See merge request damask/DAMASK!370
2021-04-26 15:48:58 +00:00
Sharan Roongta 478665b7cd polishing 2021-04-26 15:10:45 +02:00
Martin Diehl 62c987badf add tracer to vtk files 2021-04-25 23:54:33 +02:00
Martin Diehl d0b86f54fb consistent with new naming scheme 2021-04-25 08:16:26 +02:00
Martin Diehl 74dd9bf589 use sensible defaults if shell NUM_THREADS is not given 2021-04-22 08:04:02 +02:00
Sharan Roongta d83c746a17 polishing 2021-04-15 12:07:33 +02:00
Martin Diehl 34dc4fda13 needs rework 2021-04-14 19:58:58 +02:00
Martin Diehl 285889b48e merge evaluates both expression, can lead to division by zero 2021-04-13 23:23:39 +02:00
Martin Diehl 1762245b69 merge not needed 2021-04-13 19:26:35 +02:00
Martin Diehl 248bc539cc new mappings 2021-04-13 12:40:58 +02:00
Martin Diehl 74548d5f51 new names (as in HDF5 out) 2021-04-12 21:29:04 +02:00
Martin Diehl 887524bcc1 polishing 2021-04-11 16:09:29 +02:00
Martin Diehl f655a6fe5c store data locally 2021-04-11 14:30:10 +02:00
Martin Diehl b2292986f4 distributing responsibilities 2021-04-11 13:42:50 +02:00
Martin Diehl 8ec2d3a9ce bugfix: mixed up order 2021-04-11 12:49:28 +02:00
Martin Diehl 9d90ed525e YAML structure allows more than one mechanism 2021-04-11 12:42:57 +02:00
Martin Diehl 081d51f224 multiple damage mechanisms currently not supported 2021-04-11 12:37:46 +02:00
Martin Diehl 071c1a5ad4 avoid repetition 2021-04-11 12:18:26 +02:00
Martin Diehl 8b7f777186 probably not needed 2021-04-11 11:17:52 +02:00
Martin Diehl b67e837548 needs broadcast, otherwise rank>0 fail 2021-04-11 09:58:40 +02:00
Martin Diehl 547f2ffa69 cleaning 2021-04-11 09:46:11 +02:00
Martin Diehl b55e721ec4 standard name 2021-04-11 09:25:45 +02:00
Martin Diehl 34bb4c65a9 distributing responsibility 2021-04-11 08:58:40 +02:00
Martin Diehl 4b89e2f40c sorted and documented 2021-04-11 08:32:13 +02:00
Martin Diehl a386b82f74 distributing responsibility 2021-04-11 08:14:39 +02:00
Martin Diehl d488f1708a consistent naming 2021-04-11 07:41:59 +02:00
Martin Diehl 97d426718a following renames and access pattern 2021-04-10 21:16:57 +02:00
Martin Diehl 690777ac88 base access on cell numbers
DAMASK does not care about elem, IP, etc..
2021-04-10 21:16:10 +02:00
Martin Diehl 4d9949547c more systematic name 2021-04-10 21:04:33 +02:00
Martin Diehl 80dd16ed55 Merge branch 'development' into Fortran-cleaning 2021-04-10 14:18:09 +02:00
Philip Eisenlohr 73b07eda4a Merge branch 'Results.read-.place' into 'development'
simplified handling of Result class

See merge request damask/DAMASK!363
2021-04-09 22:47:05 +00:00
Martin Diehl 5f608ed572 only 2 and 3 dimension can be 1 2021-04-09 08:25:30 +02:00
Martin Diehl 1b89032086 names as in DAMASK paper 2021-04-08 23:45:26 +02:00
Martin Diehl c4765d3742 following paper 2021-04-08 13:31:21 +02:00
Martin Diehl d59051f576 systematic names 2021-04-07 22:42:10 +02:00
Martin Diehl 0fc7f66ef8 consistent names 2021-04-07 21:25:11 +02:00
Martin Diehl c4b4ea8c21 avoid invalid access in case of no damage 2021-04-07 20:52:25 +02:00
Martin Diehl bbb292d093 polishing 2021-04-07 20:39:29 +02:00
Martin Diehl 1851b66cb4 use new data container 2021-04-07 14:56:11 +02:00
Martin Diehl c4942e3f82 part of damage init 2021-04-07 13:22:22 +02:00
Martin Diehl 16f7af4c27 consistent interface 2021-04-07 13:02:42 +02:00
Martin Diehl 5eb44969cc no need to do this globally 2021-04-07 11:48:04 +02:00
Martin Diehl cdae867beb simplified
damage currently works only for single constituent
2021-04-07 09:11:40 +02:00
Martin Diehl c53927ad6f not needed 2021-04-07 08:47:46 +02:00
Martin Diehl 1fbf14c148 encapsulation and namespace-like names 2021-04-07 07:53:24 +02:00
Martin Diehl cb6b7a5fb9 standardized names 2021-04-07 07:26:54 +02:00
Martin Diehl 5a361c12f8 bugfix: corrected name 2021-04-06 15:53:06 +02:00
Martin Diehl c80774f3d2 Merge branch 'development' into Fortran-cleaning 2021-04-06 15:40:51 +02:00
Martin Diehl 0d974648f0 part of damage, not of eigen 2021-04-06 12:18:48 +02:00
Martin Diehl d56f1acf36 shorter names
need to prefix 'pass' to avoid name clashes that result in errors during
compilation
2021-04-06 12:05:47 +02:00
Martin Diehl 49804c6e44 preparing split 2021-04-06 11:55:30 +02:00
Martin Diehl 330803881b variable 'damage' is not occupied anymore 2021-04-06 11:41:45 +02:00
Martin Diehl 869976c7a0 new names 2021-04-06 11:38:44 +02:00
Franz Roters 39f4efa55a Merge branch 'cleaning' into 'development'
Superfluous F_e calculation

See merge request damask/DAMASK!361
2021-04-06 08:35:51 +00:00
Martin Diehl 2b798589ce modularizing 2021-04-06 10:22:47 +02:00
Martin Diehl b797d9d76b not needed 2021-04-06 10:14:52 +02:00
Martin Diehl 65b03aeb2d Merge remote-tracking branch 'origin/development' into Results.read-.place 2021-04-05 10:22:49 +02:00
Martin Diehl 2bfed863ba line was to long
macro was changed in PETSc 3.15
2021-04-05 09:04:44 +02:00
Martin Diehl 445e934102 Merge branch 'development' into spring-cleaning 2021-04-03 23:28:59 +02:00
Martin Diehl 857a990a0e avoid long lines 2021-04-03 20:39:07 +02:00
Martin Diehl 09beb8f38c white space adjustments 2021-04-03 18:00:41 +02:00
Philip Eisenlohr 8ac4850dd3 more consistent error messages 2021-03-31 10:55:25 -04:00
Sharan Roongta 7e8f630a62 consistent 2021-03-29 21:44:37 +02:00
Sharan Roongta c8e48090a2 Merge remote-tracking branch 'origin/development' into YAML-error-message 2021-03-29 21:38:35 +02:00
Sharan Roongta 295c036644 not required (checking) 2021-03-29 20:10:57 +02:00
Sharan Roongta aa5cd76d33 function not needed 2021-03-29 13:47:23 +02:00
Martin Diehl 2e96fcf768 Merge branch 'development' into spring-cleaning 2021-03-29 07:26:17 +02:00
Martin Diehl 5bf4553882 following naming of interaction coefficients 2021-03-29 07:25:55 +02:00
Martin Diehl b44864355d no need for subscript, following dislotwin 2021-03-29 07:20:06 +02:00
Martin Diehl e6143f6eec source not needed here
I don't think 'shape' is possible without full inspection of the stored
data structure
2021-03-29 06:40:33 +02:00
Martin Diehl 710f5b74b2 Merge remote-tracking branch 'origin/development' into 2d-table-yaml 2021-03-29 00:00:39 +02:00
Sharan Roongta ecf5639360 Merge remote-tracking branch 'origin/development' into YAML-error-message 2021-03-28 21:59:08 +02:00
Martin Diehl 84e383964b polishing/fixing tests 2021-03-27 23:58:49 +01:00
Martin Diehl 0072ebfa64 polishing 2021-03-27 23:17:04 +01:00
Martin Diehl 20c9549198 polishing
thread sanitizer throws warnings, probably because off 'terminallyIll'
2021-03-27 18:00:13 +01:00
Martin Diehl 7072ab0984 non-converging simulation is an error 2021-03-27 17:07:36 +01:00
Sharan Roongta 7c96d49b08 remove extra lines 2021-03-27 13:44:29 +01:00
Sharan Roongta f909aee835 Merge remote-tracking branch 'origin/output-rename' into internal-restructure 2021-03-27 13:40:15 +01:00
Martin Diehl 4d046e4e16 no plastic model as default 2021-03-27 06:06:27 +01:00
Martin Diehl ac310ee760 elastic constants with source 2021-03-26 20:12:30 +01:00
Martin Diehl 3b6c97edb0 adjusting names 2021-03-26 17:39:21 +01:00
Martin Diehl 949c37c4d0 bugfix
incorrect handling of NonSchmid behavior
2021-03-26 13:51:09 +01:00
Martin Diehl d74c1534ed bug fixes 2021-03-26 12:48:20 +01:00
Martin Diehl cb0d407ce4 not used 2021-03-26 12:40:01 +01:00
Martin Diehl 6a2c107723 consistent names for debugging 2021-03-26 12:34:16 +01:00
Martin Diehl 51ae66f573 Marc improvements
- fix for 2020
- drop support for versions using old compiler
- consistent capitalization
2021-03-26 11:40:24 +01:00
Martin Diehl 3e8bcd3225 cleaning examples, using consistent names
- examples in repository should only show the most basic steps
- MSC.Marc, marc => Marc
2021-03-26 09:27:49 +01:00
Martin Diehl 4cc0dedf9f Merge branch 'avoid_data_copy_restart_MPI' into spring-cleaning 2021-03-26 08:58:44 +01:00
Martin Diehl 7320120c5d Merge branch 'development' into avoid_data_copy_restart_MPI 2021-03-26 08:58:03 +01:00
Martin Diehl 35c854b549 guide the user 2021-03-26 06:45:39 +01:00
Martin Diehl 8b2281af98 missing reference polishing 2021-03-25 21:03:46 +01:00
Martin Diehl a72e2db678 Merge branch 'development' into output-rename 2021-03-25 21:03:20 +01:00
Martin Diehl 3b392281e4 consistent naming in HDF5 output 2021-03-25 19:22:59 +01:00
Sharan Roongta b1cca4f5bd polishing 2021-03-24 15:50:39 +01:00
Sharan Roongta 95fe007369 Merge remote-tracking branch 'origin/development' into citation-style 2021-03-19 10:42:49 +01:00
Sharan Roongta fc172921fb unified citation style continued 2021-03-19 10:41:47 +01:00
Sharan Roongta cec6589b26 polishing 2021-03-18 17:43:20 +01:00
Martin Diehl 9896a01ea4 easier to read 2021-03-18 08:07:10 +01:00
Martin Diehl b174473373 no need to duplicated check 2021-03-18 08:03:56 +01:00
Martin Diehl 52a0f0aaa9 hickup 2021-03-18 08:02:12 +01:00
Martin Diehl 07d79ef4ba unifying style 2021-03-17 11:25:21 +01:00
Vitesh Shah 0e18f31e31 Merge branch 'development' into avoid_data_copy_restart_MPI 2021-03-17 10:46:50 +01:00
Sharan Roongta ef792a578b separate elastic submodule 2021-03-16 20:35:29 +01:00
Vitesh Shah b67724e3f0 Merge branch 'development' into fix_homogenization_restart 2021-03-15 12:46:38 +01:00
Vitesh Shah 4912342b1b added missing arguments 2021-03-15 11:46:30 +01:00
Vitesh Shah a59af55f1a read data by one process and broadcast it 2021-03-15 10:58:59 +01:00
Sharan Roongta ce91537b0f get_asXXs --> get_as1dXX 2021-03-11 18:40:16 +01:00
Sharan Roongta 158afac5b9 Merge remote-tracking branch 'origin/development' into 2d-table-yaml 2021-03-11 16:56:27 +01:00
Martin Diehl f3558f19b6 standardizing
1) don't start with capital letters
2) mechanics -> mechanical, plasticity -> plastic, elasticity -> plastic
3) store results per top level group (no plasticity, only mechanics)
2021-03-10 22:38:29 +01:00
Vitesh Shah adcb24d2e1 write data of average quantities non parallel 2021-03-10 16:33:02 +01:00
Sharan Roongta 0a2810230e Merge commit 'fd24c9c2a193972ea17e94ba848d87d2aeb43028' into YAML-error-message
changes made by @p.eisenlohr in another branch
2021-03-08 20:58:30 +01:00
Martin Diehl 15517c4d4f default name
and output of optional physics only if active
2021-03-07 23:52:40 +01:00
Martin Diehl 6a191a7338 avoid repetition 2021-03-07 23:34:06 +01:00
Martin Diehl fb8f12ad70 standard names, no initial capitals 2021-03-07 22:59:06 +01:00
Philip Eisenlohr 5cd68dbddb fixed stray homogenization_Nmembers --> _Nconstituents 2021-03-04 15:36:36 -05:00
Philip Eisenlohr a7e2ed40dd rename Nconstituents --> Nmembers 2021-03-04 15:16:36 -05:00
Philip Eisenlohr e1f0d2e0a3 polishing of indentation and whitespaces; thermal_homogenize only once after all constituents 2021-03-04 15:15:40 -05:00
Philip Eisenlohr e4271537c5 syntax polishing; use of YAML defaults to avoid if%contains 2021-03-04 15:14:16 -05:00
Philip Eisenlohr 438167804c if( polishing 2021-03-04 15:11:39 -05:00
Sharan Roongta 5d51da11e5 trying new structure to have better yaml error messages 2021-03-04 20:06:32 +01:00
Sharan Roongta 357fd81be4 read in 2d float arrays in yaml
test added too
2021-03-04 19:08:41 +01:00
Sharan Roongta f3a2c49b39 read in 2d arrays in yaml 2021-03-01 19:03:50 +01:00
Martin Diehl 4cd72b36ad Merge remote-tracking branch 'origin/development' into initial-temp 2021-03-01 06:16:50 +01:00
Martin Diehl 2f68c43755 new style configuration for damage 2021-03-01 06:16:16 +01:00
Martin Diehl 8af0c8dbc3 using initial temperature from load case file 2021-02-28 21:51:07 +01:00
Martin Diehl 0cde43198f modernizing:
- 'pass' for dummy thermal homogenization
- setting temperature in load case
2021-02-28 20:49:51 +01:00
Franz Roters 7b89cb41f9 Merge branch 'dislotwin-correction' into 'development'
dislotwin-correction

See merge request damask/DAMASK!347
2021-02-28 19:45:34 +00:00
Martin Diehl ae57ba9707 got random errors 'O not found'
might be related to use of pointers in openMP. Not nice, but openMP
during initialization is not really required
2021-02-28 20:10:12 +01:00
Martin Diehl ef543a5b49 thermal solver is defined in load case
not in numerics.yaml
2021-02-28 20:09:08 +01:00
Martin Diehl b2fea6b149 solver not specific to load case number 2021-02-28 19:24:44 +01:00
Martin Diehl 4dd99d4c39 solver is selected in load case, not numerics.yaml 2021-02-28 19:13:20 +01:00
Martin Diehl c483dc609f common name 2021-02-28 11:47:27 +01:00
Philip Eisenlohr fd24c9c2a1 simplified tNode_get_byKey_asIndex and tNode_getKey_byIndex==>get_byIndex_asKey; syntax polishing 2021-02-27 13:22:46 -05:00
Philip Eisenlohr c0620037a1 simplified tNode_get_byKey_asIndex and tNode_getKey_byIndex; syntax polishing 2021-02-27 13:14:53 -05:00
Martin Diehl d92393ab70 avoid accessing uninitialized data 2021-02-27 10:11:43 +01:00
Martin Diehl 657d43308f standardized names 2021-02-27 10:04:08 +01:00
Sharan Roongta 4edf8e1c6c better yaml error description for type mismatch 2021-02-26 22:33:22 +01:00
Martin Diehl 8b9b0e30b1 read in correct values 2021-02-26 07:09:04 +01:00
Martin Diehl 2ca3a824a4 better fail immediately 2021-02-25 23:11:36 +01:00
Sharan Roongta be0e393e1d cleaning homogenization 2021-02-25 21:55:15 +01:00
Martin Diehl 988e584d7d merge simplifies conditional assignment 2021-02-25 16:44:52 +01:00
Sharan Roongta 59b7565961 multiple clips throws NAN, back to sequential way of clipping 2021-02-25 15:46:59 +01:00
Vitesh Shah 0d0aaa0df6 Merge branch 'development' into fix_homogenization_restart 2021-02-25 09:50:38 +01:00
Philip Eisenlohr f8bc2bf0c2 renamed "no_dipole_formation" flag to "omit_dipoles"; shortened dipole dotState logic 2021-02-24 14:25:05 -05:00
Vitesh Shah 7d90404e17 we read state0 after restart 2021-02-24 18:13:48 +01:00
Sharan Roongta 9a9d287aed tau_0 should be per slip family 2021-02-24 13:18:42 +01:00
Sharan Roongta 9679c5403e continue with cell based map (solver + homog) 2021-02-23 15:44:58 +01:00
Sharan Roongta d8112cc2e1 storing by instance just complicates the code 2021-02-23 13:45:06 +01:00
Sharan Roongta 89858543fa more cleaning; use 'ce', 'ph', 'me' wherever applicable
hide ip,el
2021-02-23 11:47:29 +01:00
Sharan Roongta 286f59ed8c fix for OpenMP 2021-02-23 10:47:04 +01:00
Vitesh Shah e929da24e8 consistent naming 2021-02-23 10:30:40 +01:00
Sharan Roongta 8d57252a54 Merge remote-tracking branch 'origin/development' into internal-restructure 2021-02-23 09:03:57 +01:00
Sharan Roongta e249168189 modifying storing of orientations;
needed for nonlocal, and also to remove the use if ip,el at homogenization level.
ip, el should be used only for looping eventually.
2021-02-22 20:38:49 +01:00
Sharan Roongta 2f9d891fdd instance less; use cell mapping 2021-02-22 16:17:32 +01:00
Sharan Roongta 5348305ac8 restart key part of loadstep and not time discretization 2021-02-22 14:42:54 +01:00
Sharan Roongta 4d5e5cfb70 Merge branch 'fix-IntelMPI' into 'development'
Bugfix for access of unallocated variable

See merge request damask/DAMASK!342
2021-02-22 12:40:37 +00:00
Vitesh d54e49e3bc restore functionality to write non-parallel
not needed at the moment, but in general useful. If PETSc = parallel
should always hold, we can simplify much more
2021-02-22 13:37:21 +01:00
Vitesh Shah 68d8aecb2b Merge branch 'development' into fix_homogenization_restart 2021-02-22 10:41:01 +01:00
Sharan Roongta db25bc947d Merge remote-tracking branch 'origin/development' into internal-restructure 2021-02-19 15:19:42 +01:00
Martin Diehl 6c7201610e Bugfix for access of unallocated variable
IntelMPI seems to access sendbuf for root!=0 in MPI_Scatterv
2021-02-17 17:56:39 +01:00
Martin Diehl 53bab41b47 consistent name 'ph' and cleaning 2021-02-16 16:06:09 +01:00
Sharan Roongta 9f78e27724 use cell mapping 2021-02-15 18:43:51 +01:00
Martin Diehl 341e8ddd6a storing per instance does not add any value 2021-02-14 18:34:48 +01:00
Martin Diehl f46d212e47 simplified access pattern 2021-02-14 17:35:39 +01:00
Martin Diehl 4026881e5a clean interface
still need to get rid of internal converstion to instance and el,ip
arguments
2021-02-14 15:29:10 +01:00
Martin Diehl 5a1ca012f8 more suitable data structure
no need to know (ip,el) at the constitutive level
2021-02-14 14:36:56 +01:00
Martin Diehl 18971d7d8b separation by instance does not add any value 2021-02-14 10:26:33 +01:00
Martin Diehl c09c2a6c8e easier to read without instance 2021-02-14 00:50:42 +01:00
Martin Diehl 5126370934 cleavageopening+anisobrittle are strongly coupled 2021-02-13 19:20:52 +01:00
Martin Diehl 9481b16878 missing renames 2021-02-13 19:10:13 +01:00
Martin Diehl 8dc53344ec 'kinematics'=>'eigen', now part of 'mechanics' 2021-02-13 18:52:37 +01:00
Martin Diehl 22a0aff488 separting thermal and damage sources 2021-02-13 18:41:30 +01:00
Martin Diehl 72c099dbbe store data separetly 2021-02-13 15:06:27 +01:00
Martin Diehl 595ee7a35a copy and paste error 2021-02-13 14:38:53 +01:00
Martin Diehl b3231bf0a8 avoid undefined return 2021-02-13 14:15:41 +01:00
Martin Diehl ab202b8e73 less verbose reporting 2021-02-13 13:07:35 +01:00
Martin Diehl 570086c814 hard code at max 1 damage mechanism 2021-02-13 13:07:12 +01:00
Martin Diehl d9699b0f2e simplified access pattern 2021-02-13 11:01:08 +01:00
Martin Diehl 775a51faa1 explicit instance mapping not needed 2021-02-13 10:11:39 +01:00
Martin Diehl b3dde6d722 only one damage mechanism per phase
material.yaml specification is designed to allow more than one, but that
requires to have two phase fields etc.
For the moment, keep it as simple as possible.
2021-02-13 09:55:17 +01:00
Martin Diehl 6e3515982d not needed outside of thermal 2021-02-13 07:55:32 +01:00
Martin Diehl f95e3bc08d simplified access pattern 2021-02-13 07:25:48 +01:00
Martin Diehl c790c82a42 separating by instance just complicates things 2021-02-13 06:59:18 +01:00
Martin Diehl 2b0b1aeffe jobname.yaml not supported anymore 2021-02-13 06:31:06 +01:00
Martin Diehl 830d00fa67 simplified structure
choice of damage model triggers eigendeformation, no repeated variables
This implementation is the most ugly hack I could imagine. I just serves
the purpose of having a stable material.yaml
2021-02-12 22:46:26 +01:00
Martin Diehl 4eb2a981ca keeping variables local 2021-02-12 15:31:43 +01:00
Martin Diehl a09989fe0b homogenized damage only needed in homogenization 2021-02-12 12:35:50 +01:00
Martin Diehl 7bec3e0363 use partitioned damage 2021-02-12 11:24:04 +01:00
Martin Diehl 462ca1a30b not needed 2021-02-12 08:10:25 +01:00
Martin Diehl f6be3fe0b7 no need for pointer 2021-02-12 07:58:00 +01:00