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1153 Commits

Author SHA1 Message Date
Martin Diehl 9e03aae3bf vectorized 2018-12-09 17:35:48 +01:00
Martin Diehl ddecacb172 ready for vectorization 2018-12-09 16:35:28 +01:00
Martin Diehl accd39b27f structuring 2018-12-09 15:58:51 +01:00
Martin Diehl e0cd88d98a preparing for vectorization 2018-12-09 15:38:02 +01:00
Martin Diehl a0b389776d same structure as for dislotwin 2018-12-09 15:00:37 +01:00
Martin Diehl 331a2b9b78 simplified 2018-12-09 14:49:08 +01:00
Martin Diehl 89b054e67b ordered 2018-12-09 14:29:19 +01:00
Martin Diehl 5768356642 PGI compatible 2018-12-06 01:12:15 +01:00
Martin Diehl 72304638f9 PGI fails if optional argument is not present 2018-12-06 00:43:32 +01:00
Martin Diehl 0ed1bd11bd need to write out total increments 
otherwise, group/folder of the same name would exist
 2018-12-05 13:54:56 +01:00
Martin Diehl deedbc4fda standard conforming line continuation 2018-12-05 08:59:32 +01:00
Martin Diehl 49af6c70a7 PGI compiler complained about kind mismatch 2018-12-05 08:56:26 +01:00
Martin Diehl adffe41ffe writing group structure in file root 2018-12-05 00:05:43 +01:00
Martin Diehl ecb00af147 cleaning and separating functions 2018-12-04 23:09:25 +01:00
Martin Diehl 8f26fc9358 Merge remote-tracking branch 'origin/development' into 56-parallel-hdf5 2018-12-04 22:34:29 +01:00
Martin Diehl 9caa91ee14 polishing 2018-12-04 22:30:07 +01:00
Martin Diehl a34e27cfcd dependentState is more descriptive than microstructure 2018-12-04 21:53:22 +01:00
Martin Diehl 10445606ba simplified API + general polishing 2018-12-04 21:33:32 +01:00
Martin Diehl 3afb14bea1 simplified 2018-12-04 21:05:34 +01:00
Martin Diehl 0a02939138 vectorized 2018-12-04 20:50:02 +01:00
Martin Diehl 91a2748131 simplifying 2018-12-04 20:33:28 +01:00
Martin Diehl e604a3d9cc simplified 2018-12-04 00:09:11 +01:00
Martin Diehl 49b5271ca4 simplified 2018-12-03 11:25:29 +01:00
Martin Diehl fb651e24ef same structure as in phenopowerlaw 2018-12-03 10:48:37 +01:00
Martin Diehl 4b8f150731 Merge branch 'development' into 22-NewStyle_disloUCLA-2 2018-12-03 06:54:52 +01:00
Martin Diehl 17716b4fa7 Merge branch 'NOSlipFCC' into development 2018-12-03 06:35:29 +01:00
Vitesh Shah 801e472497 Made it non-executable 2018-11-30 17:34:26 +01:00
Vitesh Shah e3d8022776 Read and write works for all types of data in parallel with test module passed 2018-11-30 17:33:30 +01:00
Vitesh Shah 508d6cf9ef After merge 2018-11-30 15:25:58 +01:00
Martin Diehl bbba201362 simpler API 2018-11-30 10:38:05 +01:00
Vitesh Shah ab59274c35 Able to read the independent datasets (outside the groups) in parallel 2018-11-30 10:16:04 +01:00
Martin Diehl f02fa9b7b0 no need to parse the file 2018-11-30 08:36:56 +01:00
Martin Diehl 4e86d239de simplified 2018-11-30 08:25:23 +01:00
Martin Diehl c4df2eeac4 no need to know the phase id 2018-11-30 08:02:28 +01:00
Martin Diehl 47e32b39b9 avoid unallocated array for elasticity only 2018-11-30 07:27:23 +01:00
Martin Diehl 0ea5b58338 Merge remote-tracking branch 'origin/development' into 44-column-major-access-to-interaction-matrices 2018-11-29 11:00:36 +01:00
Martin Diehl 0387486a52 same name as in dislotwin 2018-11-29 10:37:06 +01:00
Martin Diehl 39c1df7542 further simplifications 2018-11-29 10:31:02 +01:00
Martin Diehl bbddb2558c cleaning 2018-11-29 09:22:56 +01:00
Martin Diehl 64e9c7fb77 mean free path and threshold stres don't have to be part of the state 2018-11-29 09:10:22 +01:00
Martin Diehl 28ec50a6a9 simpler reading in 2018-11-29 08:44:31 +01:00
Martin Diehl 252f1a6a75 invlabmdaslip does not need to be stored 2018-11-29 08:32:15 +01:00
Martin Diehl 228ef831f0 cleanding 
dependentState/microstructure don't need to be part of the complex state
handling
 2018-11-29 08:14:20 +01:00
Martin Diehl 9aec5f6db0 shorter notation 2018-11-29 07:27:35 +01:00
Martin Diehl c0663b9fba storing per family makes loops obsolete 2018-11-29 00:04:01 +01:00
Martin Diehl 5dc696c24e calculating Lp is simple if appropriate data structures are used 2018-11-28 22:40:29 +01:00
Martin Diehl 0649eafded simpler way of Lp calculation 2018-11-28 22:22:13 +01:00
Martin Diehl b917ae2cca function to initialize absolute tolerance for state not needed 2018-11-28 17:12:06 +01:00
Martin Diehl 5983496c35 get output from config module 2018-11-28 16:45:45 +01:00
Martin Diehl 6af633aa28 going towards the new API (ipc,ip,el not of interest) 2018-11-28 07:18:50 +01:00
Martin Diehl b923839b1d no need for conversion 33<->6 2018-11-28 06:44:32 +01:00
Martin Diehl 6e22a76a91 parameters from old 22-NewStyle branch 2018-11-28 06:24:58 +01:00
Martin Diehl e4c801d635 introducing parameter structure 2018-11-27 20:00:45 +01:00
Martin Diehl e305e99541 cleaning 2018-11-27 19:49:04 +01:00
Martin Diehl 6c23e9feb8 be lazy, use a function 2018-11-27 19:28:00 +01:00
Martin Diehl 01bc945579 avoid code duplication 2018-11-27 19:19:36 +01:00
Martin Diehl 87b7569eb5 preparing use of kinetics function 2018-11-27 19:01:55 +01:00
Martin Diehl d06dbf2e47 don't need to repeat code 2018-11-27 18:53:01 +01:00
Vitesh Shah d33df38b42 made it non-executable 2018-11-27 18:52:54 +01:00
Vitesh Shah 0265732e08 Parallel writing and reading of integer datasets working 2018-11-27 18:50:51 +01:00
Martin Diehl d89dc6cc00 preparing for the use of kinetics 2018-11-27 18:41:33 +01:00
Martin Diehl d451a3a7a0 calculation of shearrates etc in one function 2018-11-27 18:25:06 +01:00
Martin Diehl bfad81848a kinetics similar to phenopowerlaw 2018-11-26 22:36:32 +01:00
Yi-Chin Yang c13b9718f6 Merge remote-tracking branch 'origin/development' into NOSlipFCC 2018-11-26 16:10:14 +01:00
Vitesh Shah ef1e9cce0d Functionality to avoid creating datasets in HDF5 of zero dimensions 2018-11-26 15:38:31 +01:00
Martin Diehl cf4a0a69fd Intel compiler detected use of unallocated variable 
bug was in for a while
 2018-11-26 09:15:44 +01:00
Martin Diehl c63d297145 copied from phenopowerlaw 2018-11-26 07:10:43 +01:00
Martin Diehl 8f59a40f48 using new parameter structure for output 2018-11-26 01:34:38 +01:00
Martin Diehl 4c46f3daa5 adopting argument parsing to Phenopowerlaw 2018-11-26 00:14:27 +01:00
Martin Diehl 9f81fa8e9a prevent segmentation fault 
post_results better readable
 2018-11-25 21:39:59 +01:00
Martin Diehl 6f93f8de04 starting to introduce parallel structure for new style parameter reading 2018-11-25 19:37:46 +01:00
Martin Diehl 2b9a34eac4 Merge remote-tracking branch 'origin/development' into 20-NewStyleDislotwin 2018-11-25 17:12:26 +01:00
Martin Diehl 7cc2892e64 no need to calculate twinned volume fraction as state 2018-11-25 16:14:46 +01:00
Martin Diehl 8a253856f1 no need to perform the state integration 2018-11-25 15:38:14 +01:00
Martin Diehl 8ccec40e35 Merge remote-tracking branch 'origin/development' into 19-NewStylePhenopowerlaw 2018-11-25 13:39:34 +01:00
Martin Diehl 1808b37357 can be easily computed during postprocessing 2018-11-25 11:17:12 +01:00
Martin Diehl 917453d191 polishing 2018-11-25 11:14:09 +01:00
Martin Diehl c0ce95183c can be easily calculated during post processing 
and does not have to be a state
 2018-11-25 10:59:36 +01:00
Martin Diehl 1d936fc5f2 simple variable rename causes problem with GCC 7.3 
probalby a compiler bug
 2018-11-24 09:53:18 +01:00
Yi-Chin Yang efe90f86e2 missing comma 2018-11-23 19:00:37 +01:00
Yi-Chin Yang f0359d36b6 adding FCC {110}<110> family 2018-11-23 18:53:50 +01:00
Vitesh Shah e7581f06d9 Fixed error with parallel write 2018-11-23 17:54:02 +01:00
Vitesh Shah 0e55bd6140 started read parallelization but getting errors 2018-11-23 15:49:43 +01:00
Franz Roters 9760b138c2 added link lost during merge 2018-11-23 15:02:35 +01:00
Franz Roters a498e5580a Merge remote-tracking branch 'remotes/origin/54-populate-grains-deprecated' into development 2018-11-23 14:38:22 +01:00
Martin Diehl c7fb868b40 state layout was broken 2018-11-23 07:01:04 +01:00
Martin Diehl 6df68d9428 no need do constantly convert 3x3 matrix <-> 6 vector 2018-11-23 06:04:39 +01:00
Martin Diehl 8b4781cf28 no need to repeat code 2018-11-23 05:37:31 +01:00
Vitesh Shah a6bc2a16f1 Parallel works for groups and included write function for integer data 2018-11-21 19:35:37 +01:00
Vitesh Shah 5cc6d86c61 Added the parallelized functionality for integer datatypes (works for groups?) 2018-11-21 16:57:36 +01:00
Vitesh Shah d00e3105ed Made hdferr < 0 and removed the unnecessary call to h5getspace in hyperslab 2018-11-21 16:10:17 +01:00
Martin Diehl e2e045f75b using 'service function' for allocation of state 2018-11-20 19:46:55 +01:00
Martin Diehl d0be1d61db Merge branch 'development' into 20-NewStyleDislotwin 2018-11-20 19:41:30 +01:00
Martin Diehl ecde7e5953 Merge remote-tracking branch 'origin/development' into 20-NewStyleDislotwin 2018-11-20 19:38:18 +01:00
Martin Diehl baf56a0e94 respect dependencies of inclusion 2018-11-20 15:27:32 +01:00
Martin Diehl 50a1ba6287 hdferr needs to be integer type during compile time of HDF5 library 2018-11-20 15:26:49 +01:00
Vitesh Shah c0481307ee Changed the intent of input argument of dataset to inout 2018-11-20 11:54:51 +01:00
Martin Diehl be8e6cbe57 Merge branch 'development' into 19-NewStylePhenopowerlaw 2018-11-19 20:27:10 +01:00
Martin Diehl ba5b623f14 Merge branch 'development' into improved-HDF5 2018-11-18 19:44:36 +01:00
Martin Diehl dd6f6bba9d planning the forwarding of the results 2018-11-18 12:41:05 +01:00
Martin Diehl dfd624e520 create results file 2018-11-18 11:58:49 +01:00
Martin Diehl fb5b1bfd8e compile results module 2018-11-18 11:32:53 +01:00
Martin Diehl 35211a8468 compilation order should reflect dependency 2018-11-18 11:24:55 +01:00
Martin Diehl 366c63e273 CONFIG is a keyword for Cmake 2018-11-18 11:21:43 +01:00
Martin Diehl 8b1785c05c parallel writing for pReal 2018-11-18 09:47:50 +01:00
Martin Diehl 73ca289322 F_aim was wrong in case of MPI parallelization 2018-11-17 16:50:19 +01:00
Martin Diehl d8a425b464 prevent error 
h5close_f will give an error if h5open_f was not called.
according to the manual, calling h5open_f multiple time is not a problem
 2018-11-17 15:00:51 +01:00
Martin Diehl 89504c3c52 will not work with python3 2018-11-17 08:08:27 +01:00
Martin Diehl d5963b403a setting the property when opening the file 2018-11-16 07:05:43 +01:00
Martin Diehl 9b32fe6dbd MPI file access needed for output 2018-11-15 07:28:34 +01:00
Martin Diehl b48bd3a082 keep only general functionality in HDF5_results 2018-11-15 07:07:59 +01:00
Martin Diehl 58f2a25ffd clearer separation of tasks 
1) general HDF5_utilities (for results, restart, ...)
2) results related helpers (based on HDF5_utilities)
 2018-11-15 06:49:31 +01:00
Martin Diehl e6c7a73886 first step to include HDF5 in MSC.Marc 2018-11-14 13:12:08 +01:00
Franz Roters 174997563e Merge branch '47-save-restart-information-in-hdf5' into 'development' 
Resolve "save restart information in HDF5"

See merge request damask/DAMASK!44
 2018-11-12 08:42:22 +01:00
Franz Roters 475ca29f3c close all objects of type integer(HID_T) created by native hdf5 routines 2018-11-09 16:11:19 +01:00
Franz Roters 71cb635b10 missing link 2018-11-07 15:13:16 +01:00
Franz Roters e18f39d64c added support for Marc 2018.1 2018-11-07 14:11:10 +01:00
Martin Diehl f88b78195a not need to repeat shape definition 2018-10-26 10:20:45 +02:00
Martin Diehl c413df7ed2 a little cleaning 2018-10-18 22:54:33 +02:00
Martin Diehl 49c7a6c524 sorting 2018-10-18 22:20:26 +02:00
Martin Diehl f71e067f5e using functionality from lattice 2018-10-18 21:41:17 +02:00
Martin Diehl d7fa3a9791 just sorting 2018-10-18 21:34:26 +02:00
Martin Diehl 59399f2cd2 sanity checks 2018-10-18 19:06:21 +02:00
Martin Diehl 33d816a5d0 polishing 2018-10-17 23:56:57 +02:00
Martin Diehl 121d146a35 using more central functions 2018-10-17 23:20:39 +02:00
Martin Diehl 4320061554 using central functionality 2018-10-17 23:13:47 +02:00
Martin Diehl 8017fccbc3 adjusting to phenopowerlaw 2018-10-17 22:18:33 +02:00
Martin Diehl 2fd348f251 just re-ordering 2018-10-17 21:47:50 +02:00
Martin Diehl 6b4b5b511f don't let dipole formation be undefined 2018-10-17 21:41:21 +02:00
Martin Diehl b7bc5afa90 Merge remote-tracking branch 'origin/development' into 20-NewStyleDislotwin 2018-10-17 20:10:49 +02:00
Martin Diehl 7ac96bd630 polishing 2018-10-17 00:01:21 +02:00
Martin Diehl d92ab04892 Merge branch 'development' into 19-NewStylePhenopowerlaw 2018-10-15 22:38:55 +02:00
Martin Diehl be8d7e19fe missing use statement caused compilation error 2018-10-15 22:38:34 +02:00
Martin Diehl 2ca7807438 cleavage systems avaialable as function 2018-10-15 22:29:23 +02:00
Martin Diehl ad1a64c338 rename was missing 2018-10-15 06:01:38 +02:00
Martin Diehl 57ca93c3c9 added missing allocation 2018-10-15 05:28:52 +02:00
Martin Diehl e5ec5ed54c check prerequisites as early as possible 2018-10-15 05:03:53 +02:00
Martin Diehl 767ca0edd4 avoid code repetition 2018-10-14 20:16:30 +02:00
Martin Diehl a311cc7673 Merge remote-tracking branch 'origin/development' into 19-NewStylePhenopowerlaw 2018-10-14 15:53:50 +02:00
Martin Diehl 6599aa487c kinetics_slip does not seem to be the problem 2018-10-14 15:53:24 +02:00
Martin Diehl 1839228add sorting 
new mappings. Needs more work (don't forget https://xkcd.com/927)
 2018-10-14 12:27:42 +02:00
Martin Diehl 943fa764c0 not needed 2018-10-14 11:15:07 +02:00
Martin Diehl 4ac12d1dc5 removed hybridIA 2018-10-14 10:11:26 +02:00
Martin Diehl 4c780226d1 polishing 2018-10-14 09:27:34 +02:00
Martin Diehl 513faa2218 investigating the reason for the poor performance 2018-10-13 11:29:07 +02:00
Franz Roters d9fbf2ab50 Merge branch 'development' of magit1.mpie.de:damask/DAMASK into development 2018-10-13 10:52:03 +02:00
Franz Roters 905b5a33eb added link for Marc2018 2018-10-13 10:50:20 +02:00
Franz Roters 1a458108bc added support for Marc2018 2018-10-13 10:26:42 +02:00
Martin Diehl fa9cbe13c9 do concurrent not safe here 2018-10-13 08:35:36 +02:00
Martin Diehl 6207781eb6 [skip ci] [skip sc] streamlining 2018-10-12 17:24:46 +02:00
Franz Roters d1561e867a Merge branch '44-column-major-access-to-interaction-matrices' into 'development' 
Resolve "column-major access to interaction matrices"

Closes #44

See merge request damask/DAMASK!43
 2018-10-12 13:03:22 +02:00
Martin Diehl 5597ee338e simplifying 
- whole type is private, no need to make the components private
- target not needed when using associate
 2018-10-12 08:26:24 +02:00
Martin Diehl 854d3ab774 clearer logic for controlling dipole formation 2018-10-12 08:23:56 +02:00
Vitesh Shah 38f9807c42 cleaning up the codes 2018-10-11 18:00:01 +02:00
Martin Diehl 51a3308a3d bugfix: same tau was used for all systems 2018-10-11 17:28:00 +02:00
Vitesh Shah cd2fb9f417 adding prefixes to writing of datasets under groups 2018-10-10 19:08:44 +02:00
Vitesh Shah fa13e71493 removed typo(&) 2018-10-10 18:09:10 +02:00
Vitesh Shah 78db0ecb3c reading and writing of subroutines of datasets of different ranks 2018-10-10 17:54:55 +02:00
Martin Diehl 7217cdac1b Merge branch '29-rename-mesh_element-array' into development 2018-10-10 15:55:23 +02:00
Martin Diehl ef1899cfd0 improved error reporting 
- tell user specifically whether number of systems is too high or too
low
- c/a sanity check can be done centrally
 2018-10-10 07:42:07 +02:00
Philip Eisenlohr f0b9c0caf7 polishing and encapsulating of Abaqus-specific local variables 2018-10-09 17:57:10 -04:00
Franz Roters 1d0584dcdf typo in message 2018-10-09 16:44:47 +02:00
Martin Diehl d81c9f744e avoid errors by consistently closing objects 
general bugfixes, works now
 2018-10-09 16:17:21 +02:00
Martin Diehl 2064ed80fd more flexible file open routine 2018-10-09 15:15:08 +02:00
Martin Diehl 8626ba1ce6 adjusted variable names and added comments 2018-10-09 14:46:57 +02:00
Martin Diehl 48403c37b7 initializing and closing the HDF5 library 2018-10-09 14:13:51 +02:00
Martin Diehl e7e0cf7118 preprocessor statements are case sensitive.. 
... and the PETSc variable is PETSc, not PETSC
 2018-10-09 13:57:29 +02:00
Martin Diehl e3943d282a Merge branch 'development' into 47-save-restart-information-in-hdf5 2018-10-09 13:51:58 +02:00
Vitesh Shah 09ba95b029 non-executable 2018-10-09 10:58:45 +02:00
Vitesh Shah 70c746a8f1 Interfacing for subroutines to identify real and integer data 2018-10-09 10:57:06 +02:00
Martin Diehl e71ec2057e hotfix 
does not seem to cause trouble here, but better be safe
 2018-10-09 08:37:03 +02:00
Martin Diehl 4da3923440 more straight-forward definition of array shape 2018-10-08 23:54:45 +02:00
Martin Diehl 05aae4f7eb removed forgotten debug statement 2018-10-08 23:34:05 +02:00
Martin Diehl 50f0362aa1 Merge branch 'development' of magit1.mpie.de:damask/DAMASK into development 2018-10-08 23:33:31 +02:00
Martin Diehl 6064daceda do error check earlier 
array out of bounds happened already before the check
 2018-10-08 23:32:46 +02:00
Martin Diehl b51c3b5a07 handling files without LF at last line correctly 2018-10-08 23:27:06 +02:00
Philip Eisenlohr 225a48021d foramtting of random_seed output to align with rest 2018-10-08 17:01:56 -04:00
Martin Diehl 78b5fa466d fixed hick-up in lattice definitions 2018-10-08 19:32:18 +02:00
Martin Diehl 71d80cc203 sanity check too strong 
still makes sense to have, but some tests need to be updated before
setting it active again
 2018-10-08 13:27:15 +02:00
Martin Diehl 2a79f7ea61 taking care of c/a for hex and bct 2018-10-08 13:25:40 +02:00
Martin Diehl 5efcad952a avoid type conversion 
more systematic checking of correct input parameters
 2018-10-08 08:28:56 +02:00
Martin Diehl 302cf9b6c2 bugfix, now inline with code from initializeStructure 2018-10-07 22:16:18 +02:00
Martin Diehl facb1c2407 unified error checking 2018-10-07 20:03:45 +02:00
Martin Diehl 0e17b17b90 using full precision 2018-10-07 18:40:02 +02:00
Martin Diehl 34e0aca564 using full precision 2018-10-07 18:18:24 +02:00
Martin Diehl a53488d666 calculation of slip/twin/trans/damage-coordinate system was wrong 2018-10-07 15:44:13 +02:00
Martin Diehl 032c35a499 WIP: Calculation of elasticity matrices for twin and trans 2018-10-06 10:42:25 +02:00
Martin Diehl 3a2f86df1c non-schmid is always bcc 2018-10-05 23:04:06 +02:00
Martin Diehl 81a77b508a check for array size was off by 1 2018-10-05 22:46:53 +02:00
Martin Diehl 3a39c2d68c [skip ci] strings will be converted to lowercase 2018-10-05 17:54:24 +02:00
Martin Diehl 0cddf36106 typo, using value of p_slip for q 2018-10-05 17:47:46 +02:00
Martin Diehl 2a51e528bd Merge branch 'development' into 44-column-major-access-to-interaction-matrices 2018-10-05 11:11:20 +02:00
Martin Diehl 40cf7f134d Merge branch '44-column-major-access-to-interaction-matrices' of magit1.mpie.de:damask/DAMASK into 44-column-major-access-to-interaction-matrices 2018-10-05 11:08:29 +02:00
Martin Diehl aa34b83978 avoid array out of bounds 
allows to handle un- or partly defined non schmid coefficients
 2018-10-05 10:36:44 +02:00
Martin Diehl a560fff2ac [skip ci] [skip sc] generic interfaces for HDF5 operations 
most existing HDF5 functions are only designed for writing output files
and more general functionality is needed for storing the restart data
 2018-10-05 09:03:20 +02:00
Martin Diehl 47a748831f Cannot write out resolved stress including non schmid 
Would need to write out tau_pos and tau_neg separately, so limit to
resolved stress in the sense of Schmid
 2018-10-05 07:26:13 +02:00
Martin Diehl 6ccbc5e4e6 characteristing shear is defined per system 2018-10-05 07:20:51 +02:00
Martin Diehl e74a852ef7 new style is noticable slower 
runtime (polycrystal example) increased from 70s to 90s.
Need to figure out how to write readable AND fast code
 2018-10-05 06:38:20 +02:00
Martin Diehl 3a00fcde16 WIP: characteristic shear calculated in lattice 2018-10-05 05:09:31 +02:00
Martin Diehl fda2676365 calculate only if required 2018-10-05 04:54:47 +02:00