922042d8d5
now automatically using gfortran if no ifort is found
2012-11-13 18:40:14 +00:00
0c87fc16f4
renamed the keyword for the make options from make to options
2012-11-13 17:26:25 +00:00
93a5a0be50
updated Marc/Mentat scripts
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submit1 now usese O1 optimization
submit2 now usese O2 optimization
submit3 now usese O1 optimization plus openMP
added posibility to choose preferred editor in apply_DAMASK_modifications
2012-11-13 15:27:06 +00:00
1438812461
Added report of SUCCESSFUL test for Revision 1900
2012-11-13 03:59:36 +00:00
22e239595e
again added some missing Library path statement
2012-11-12 21:02:37 +00:00
2d902639f3
next try setting LD_LIBRARY_PATH
2012-11-12 18:04:08 +00:00
70c4e11742
added comments and structured the code. Temperature is not longer stored for each point but only to simplify restart behavior as long as it is not fully supported by the constitutive models
2012-11-12 14:14:39 +00:00
7974001c9d
removed empty line causing LD_LIBRARY_PATH to be incomplete
2012-11-12 12:17:43 +00:00
401f57c135
new reference after changes on crystallite.f90
2012-11-12 12:00:50 +00:00
3c53f3ec9a
last version contains buggy mesh.f90; corrected typo in initialization
2012-11-09 07:52:44 +00:00
366ac28694
parallelized mesh_build_subNodeCoords and mesh_build_ipCoordinates
2012-11-09 07:47:14 +00:00
7dcfc1c6b1
some more changes on LD_LIBRARY_PATH
2012-11-09 06:38:19 +00:00
8a5247bf01
corrected LD_LIBRARY_PATH settings
2012-11-09 06:24:41 +00:00
966bfba04f
same as for 1552, more checks on fp exceptions
2012-11-08 22:23:08 +00:00
e6a9f04522
additional checks on floating points exceptions added
2012-11-08 22:22:32 +00:00
b1c3c57412
some more finetuning, still not running on gfortran 4.5.0
2012-11-08 21:33:58 +00:00
c831716b26
reseting value vector when reading in for loadcase file, otherwise NaNs might be in there
2012-11-08 20:35:31 +00:00
11264f3fe4
forgot to check for convergence flag in FPI integrator
2012-11-08 20:15:19 +00:00
60438cdbcc
criterion for crystallite cutback loop changed from crystallite_subStep to crystallite_todo; this avoids problems when the last substep of the crystallite increment is below subStepMinCryst (which is allowed during last wind forward)
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fixed bug in the adaptive Euler integrator and the RK4 integrator, which could not reach the stateJump function, because of erroneous check for converged flag; also corrected the state counter for the RK4 integrator
2012-11-08 20:00:29 +00:00
ee5903c767
replaced real 'guessmode' with logical 'guess', caused trouble on gfortran 6.3 with ultra optimization
2012-11-08 19:32:00 +00:00
91bfcbcfa3
added missing line continuation and added LD_LIBRARY_PATH to test script directly
2012-11-08 18:27:22 +00:00
6a86f36407
now having libraries from Makefile before PETSc Libraries in linker order
2012-11-08 18:26:10 +00:00
1df9be233d
changed default threshold to 0.0
2012-11-08 17:08:41 +00:00
682a98b704
forgot to alter name of 'geom_fromAng' in setup script...
2012-11-08 16:29:26 +00:00
025d6c9048
renamed script to new convention
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aligned output behavior to that of fromVoronoiTessellation, i.e., standard output is geom, --config gives associated material.config stud
2012-11-08 15:44:51 +00:00
af2aa8500d
added option to specify crystallite index
2012-11-08 15:43:38 +00:00
c775edaa6d
better avoid initialization of residuum_old with huge, since it posed problems in Abaqus
2012-11-08 13:26:22 +00:00
07fd2681c6
slight changes in results required update of reference
2012-11-08 10:22:54 +00:00
3775e478cc
added tests for gfortran (will crash, but might help to find the bug)
2012-11-08 09:52:24 +00:00
f5c6b4e0a6
added extra compile debug options for more detailed information on crash
2012-11-08 09:49:20 +00:00
c4c27860b2
renamed script
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updated to recent standard in io processing
introduced "primitive" bicontinuous structure in addition to "diamond" and "gyroid"
2012-11-07 16:52:10 +00:00
7cf2024be3
fixed buggy parameter checking
2012-11-07 16:51:17 +00:00
e11d107956
fixed reporting to STDOUT/STDERR
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fixed buggy parameter checking
2012-11-07 16:49:47 +00:00
dad9922f54
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain
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added some OMP FLUSH statements were necessary
replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 15:43:29 +00:00
bbcffa668b
some small changes in including PETSc *.h90 files to prevent warnings.
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It seems that a bug in old gfortran 4.5.0 causes the problems, at least with 4.7.3 it seems to work after fixing the bugs in IO.f90
2012-11-07 13:11:41 +00:00
9e20149c6f
updated reference results, differ because changes in crystallite (matrix inversion removed)
2012-11-07 09:57:34 +00:00
9b99825ac6
preventing array index out of bounds in case of empty line, removed to goto statements
2012-11-07 09:31:46 +00:00
5214b93342
fixed bug when reading in geometry for spectral solver
2012-11-06 17:16:01 +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
a86d528a4a
replaced call flush(6) by flush(6), slightly improved formating for output of gfortran version
2012-11-06 15:50:20 +00:00
e0dc2710b5
now works in "sourcing" mode.
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still have to worry about figuring out the lib/pathinfo details and setting LD_LIBRARY_PATH accordingly...
2012-11-06 15:40:45 +00:00
5b6baa7c0d
introduced distinction between ip coordinates and cell center coordinates; the former can be globally calculated by subroutine mesh_build_ipCoordinates, the latter locally by the function mesh_cellCenterCoordinates; renamed mesh_ipCenterOfGravity to mesh_ipCordinates
2012-11-06 14:37:13 +00:00
bb033c5fe7
Simplified algorithm of crystallite_integrateStress while preserving (almost) same functionality.
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Removed "leapfrogging" (increase of step for next guess, when last guess was ok); Replaced Armijo rule testing for step size by simple check if the residuum got better, since the former virtually did not have any effect; consistently using the 2-norm of the residuum rather than infinity-norm for the convergence check throughout the function
2012-11-06 12:35:45 +00:00
1583ae74c3
adopted new naming scheme
2012-11-06 08:49:48 +00:00
cfc8823328
missed those three in former commit...
2012-11-05 21:28:01 +00:00
1bd4262cfb
renaming of (loosely related) "spectral" scripts to (more tightly related) "geom" versions.
2012-11-05 21:19:12 +00:00
639d6e0655
inserted missing flush(crystallite_todo) in parallel section; might have caused trouble in parallel calculations before
2012-11-05 14:45:52 +00:00
1fc59107fa
removed debug statement in averageDown.py, deleted obsolete spectral_iterationCount.py (new solver will report statistics anyway and most probably the current count does not work as the screen output was modified)
2012-10-31 10:06:11 +00:00
689b64e3f5
updated geom pack/unpack test to new definition
2012-10-31 10:04:53 +00:00
086fe138b1
substituted matrix inversion to solve equation by direct solution routine from LAPACK
2012-10-31 09:56:26 +00:00
Martin Diehl