Commit Graph

588 Commits

Author SHA1 Message Date
Martin Diehl fa372523a8 added and restructured comments
debugGeneral = .true. now enables the additional output
restructured the debug options
started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config
corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 14:27:26 +00:00
Martin Diehl 884249aba8 removed hint how to patch fftw, added flag for gfortran to check if maximum length of source files do not exceed 132 characters 2012-01-25 14:24:08 +00:00
Martin Diehl bd48620de2 improved Curl_fft, corrected Divergence_fft and added math_skew3x3 2012-01-25 10:30:39 +00:00
Martin Diehl e7ac99eeca for spectral solver, --restart XX sets restartReadInc to XX-1, meaning restartReadInc is the step to read and XX the step at which the calculation begins 2012-01-25 09:05:38 +00:00
Martin Diehl 656d7a68d2 one new error message for spectral solver 2012-01-25 09:00:40 +00:00
Martin Diehl 3e521e32a6 indroduced 3 more flags for fine control of spectral algorithm 2012-01-25 08:56:46 +00:00
Martin Diehl 52a43c3b32 improved help output and corrected triggering (-h, --help) of help 2012-01-25 08:54:37 +00:00
Philip Eisenlohr 0cb90d4926 corrected debug_verbosity glitch (missed ">0" in logical expression) 2012-01-23 13:32:37 +00:00
Christoph Kords 4980f57fd5 added total Green-Lagrange strain to crystallite outputs 2012-01-20 10:25:35 +00:00
Philip Eisenlohr 43bd667f78 switched array indices of curl_fft in accordance with math.f90 2012-01-19 20:39:33 +00:00
Philip Eisenlohr a13aeb045f corrected curl_fft subroutine 2012-01-19 20:38:52 +00:00
Christoph Kords 1032ff3d47 corrected definition of element base node, which was still flawed 2012-01-19 14:15:26 +00:00
Christoph Kords 6c2a61e489 corrected node coordinates and sorting for spectral method 2012-01-17 16:53:56 +00:00
Christoph Kords 8739b9522e dislocation stress does not add to stress field anymore, but is only available as constitutive output for purposes of postprocessing. instead, we now use a backstress term (which is added to the resolved shear stress) that depends on the gradient of excess density on the same slip system. 2012-01-17 10:26:57 +00:00
Philip Eisenlohr ab7b9247c7 final merge with edits dropped intermediately from rev 1190. 2012-01-16 15:10:16 +00:00
Martin Diehl 3a22bf7e27 changed fftw from legacy fortran to new (2003) fortran (calling c routines directly)
renamed "steps" consequently to "incs"
moved kdtree2 to math.f90, put original source to private folder
2012-01-13 16:18:16 +00:00
Martin Diehl c644b2c24d corrected rectifyPath function (did not work in case of more than one /../..) 2012-01-13 15:22:42 +00:00
Martin Diehl 2259f44cb1 added parameter for debugging of FFTW in spectral method 2012-01-13 15:21:24 +00:00
Martin Diehl 07186e0751 added output of precision to init 2012-01-13 15:20:29 +00:00
Philip Eisenlohr f3bb2271c9 parsing of spectral geom file now accepts two-dimensional microstructure definition (plus range indications by 'x to y')
For instance:
1 2 3 4
5 6 7 8
9 10 11 12
...
2012-01-12 17:01:24 +00:00
Pratheek Shanthraj 11c71aae86 bugfix release 2012-01-12 16:31:23 +00:00
Philip Eisenlohr 83ff05c8e8 fixed bugs (sorry...) 2012-01-12 15:08:44 +00:00
Pratheek Shanthraj 2ea3c68d3f removed spectralPicturemode 2012-01-12 10:36:17 +00:00
Philip Eisenlohr 7103a44d45 renamed debug variables, plus additional "beautification".
renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 10:23:05 +00:00
Philip Eisenlohr a7d9d711f6 edited lines exceeding 132 chars (before any comment started) 2012-01-11 16:56:35 +00:00
Martin Diehl c54600fd1f added kdtree2 source and changed makefile to compile it.
started to implement the nearest neighbor search for regridding
corrected calculation of divergence in real space.
corrected handling of maximum stress deviation (removed mask)
2012-01-04 17:43:26 +00:00
Martin Diehl ee401520d7 corrected divergence calculation. Still some open questions, but improved understanding a lot 2011-12-23 12:30:35 +00:00
Martin Diehl 6dee2616f5 added help info how to use the executable 2011-12-23 12:29:04 +00:00
Martin Diehl 99fa0e0be8 corrected calculation of curl (last version was more a dummy function) 2011-12-23 12:23:13 +00:00
Philip Eisenlohr e62d083f7a removed (virtually) dead single-precision branch of the spectral solver. 2011-12-22 13:19:27 +00:00
Philip Eisenlohr 35bd460e39 added "core" package capability to processing
(renamed former f2py modules)

reverted pathinfo...
2011-12-22 10:36:59 +00:00
Krishna Komerla f463c2da70 added addCurl.py, not sure if it works correctly. still in old (eq. to addDivergence.py) style 2011-12-21 17:25:31 +00:00
Philip Eisenlohr b0ba5f7ba3 code setup now takes BLAS in order of precedence from IKML, ACML, and LAPACK.
Leave pathinfo blank for BLAS-options that are not available (like IKML typically)
2011-12-20 10:58:51 +00:00
Franz Roters c4a4c5cdca corrected error in apply_DAMASK_modifications
added support for Marc/Mentat2011 (classic)
2011-12-19 16:06:03 +00:00
Philip Eisenlohr 739c524848 makefile substitution now based on regexp match.
condensed makefile syntax.
can now use a system-defined LAPACK instead of ACML (required for OS X...).
fixed bug that 'ULTRA' was not using -O3 for most of the compiling...
2011-12-16 09:11:03 +00:00
Philip Eisenlohr a8dece8694 adopted use of general damask package ("import damask" instead of "damask_tools") 2011-12-15 08:52:41 +00:00
Christoph Kords b2547e0117 Math inversion used to return zero (math_inv3x3) or error (math_invert3x3) for negative determinant. Now checking whether the absolute(!) value of the determinant is close to zero to avoid singularities, negative determinants are very well allowed. 2011-12-14 08:55:24 +00:00
Martin Diehl 031a00237f improved makefile, no directly linking to files of acml
corrected default pathinfo
improved test for intel compiler
2011-12-09 16:34:53 +00:00
Martin Diehl 7d1d2b6229 corrected small mistake in setup_code and makefile
test no. 1500, spectral compile test with intel compiler is now working. adjusted run_test and tamask_test
2011-12-09 15:13:27 +00:00
Philip Eisenlohr 2ceb78c337 introduced new damask_tools method "relPath" and adopted it in setup_processing.py and setup_code.py 2011-12-06 18:38:03 +00:00
Martin Diehl ea0fe7b406 corrected 3D visualize (math.f90 part was not working)
small polishing of voronoi_tessellation.f90
2011-12-06 17:46:33 +00:00
Martin Diehl 5ebeb96e85 made DAMASK to work with gfortran:
-removed to long lines
-restructured f2py modules and merged make_DAMASK2Python into setup processing
-setup_code.py now sets library path in makefile and asks for compile switches for spectral code
-substituted \ in format strings with $

restructured DAMASK_spectral:
-more logical output and structure of code
-better input for spectral debug parameters
2011-12-06 16:58:17 +00:00
Philip Eisenlohr efadf9f728 mainly fixed error in output of spectral results (1:N,…) instead of (N,…)
rearranged some logic here and there.

(hopefully) improved readability of debug/standard output.

restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 10:01:32 +00:00
Martin Diehl ace6851389 moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly.
polished math.f90 (mainly added _pInt/_pReal and intent(in/out))
curl_fft is still a dummy function
2011-12-01 12:01:13 +00:00
Franz Roters e738bee1e3 moved todolist to private tree 2011-11-28 08:18:07 +00:00
Franz Roters 515986c4d6 renamed w0 and w0_slip to a and a_slip 2011-11-23 14:48:39 +00:00
Philip Eisenlohr f685bbba0e exchanged location of "graincount" in user block.
now matches wiki entry:
1. homogenization block
2. grain block
  (grain count
   sub-block[s] of crystallite and constitutive)
2011-11-23 09:09:00 +00:00
Martin Diehl 5a1e73b53d added set_timelimit functionality to fortran-wrapper of FFTW and introcudec it to DAMASK_spectral.f90 2011-11-21 18:48:38 +00:00
Martin Diehl 566f16b6e9 implemented calculation of divergence in real space, polished spectral debugging 2011-11-21 18:12:40 +00:00
Martin Diehl dc6c29a910 important bugfix for reading in results in case of restart 2011-11-17 22:11:05 +00:00
Martin Diehl 5ef73e164a restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding
introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config
added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor)
added precision directive to all values I found
2011-11-15 17:54:18 +00:00
Krishna Komerla 60c9293baf restarting seems to work, spectral solver writes own defgrad to disk.
step counting rectified
added additional output of deformation gradient volume min and max
2011-11-11 14:17:43 +00:00
Christoph Kords 860594d9a4 forgot to multiply shearrate with timestep in order to get accumulated shear 2011-11-09 10:26:00 +00:00
Christoph Kords 6dc8a4d530 check for LFC only if there is any slip activity at all; also increased safety factor from 1.2 to 1.5 2011-11-09 09:55:39 +00:00
Christoph Kords 7033e84fc7 new outputs "accumulatedshear", "velocity_edge", and "velocity_screw" (the latter two replace the output "dislocationvelocity") 2011-11-09 09:22:52 +00:00
Martin Diehl de96e99bca corrected determination of restartRead from commandline (now done by FEsolving instead of DAMASK_spectral_interface)
recompiled fftw libraries with --enable-shared to make them work with f2py
added draft for compilation test of spectral solver
2011-11-07 18:25:10 +00:00
Christoph Kords 8bc39fcd48 immobile density output keeps its sign 2011-11-07 15:46:40 +00:00
Christoph Kords 34adec74e8 corrected wrong indices into state array for velocity 2011-11-07 15:17:58 +00:00
Krishna Komerla 49c0b8a3fd restructured restarting capabilities 2011-11-07 11:04:57 +00:00
Christoph Kords 7dfb96a3da constitutive_nonlocal:
dislocation velocities are stored in the state, so we actually now have three "parts" of the state, the basic states that are updated by "constitutive_dotState" come first, then the dependent states that are calculated by "constitutive_microstructure" follow, and finally we have a last part reserved for other variables that just use the memory reserved by the state array and are updated somewhere else.

constitutive:

LpAndItsTangent does not need the full state, but only the local state, so changed that at least for the nonlocal constitutive law
2011-11-04 13:12:17 +00:00
Christoph Kords 9d1bc584d0 corrected stress integration scheme: now use norm(Lpresiduum) as a target function for Armijo's rule instead of whole tensor Lp; also corrected the guess for the improvement in Lp 2011-11-04 12:57:12 +00:00
Christoph Kords ca3d21a3b6 Depending on which state integrator one uses for the stiffness calculation, the initial state has to be chosen accordingly: e.g. for FPI choose last converged state, but for explicit RK choose converged state from start of increment (in case of explicit euler no state integration at all, but only stress integration). For this purpose we also need to remember "Fe" which now follows the cutbacking procedure as it is used for "Fp". 2011-11-04 12:44:50 +00:00
Martin Diehl ee7022d8cf correctet random seed generation to work with gfortran. 2011-11-04 10:29:35 +00:00
Martin Diehl c2eac36b48 started to implement restart facilities for spectral solver.
restart write is on per default
restart read is switched on by using --restart or -r INT where INT gives step at which the calculation should restart
setting INT to a value <1 will turn restart write off
2011-11-03 19:32:11 +00:00
Philip Eisenlohr b9647b2584 moved parts into new "lib" folder 2011-11-03 13:21:11 +00:00
Martin Diehl 680ba9082f removed deadlock when calling IO_warning(33)
polished IO_error and IO_warning
checked OpenMP critical statements in DAMASK_spectral.f90
corrected writing of headed in DAMASK_spectral.f90
2011-11-02 14:38:42 +00:00
Claudio Zambaldi 447e69019c Introduced environment variable DAMASK_ROOT.
It is set in the DAMASK root folder by running damask_env.sh
Much needed in the testing routines so far (try ./testing/run_tests.py)
damask_env.sh could also trigger other scripts to get to a working setup after fresh checkout. For example it could run 
./processing/setup/setup_processing.py
./code/setup/setup_code.py
if it finds that we have a fresh checkout.
2011-10-27 17:55:42 +00:00
Martin Diehl 15c356c3a7 some small improvements regarding the rotation of the loadcase frame 2011-10-25 13:38:24 +00:00
Martin Diehl c13aa2a829 first try of implementing a rotation of the loadcase coordinate system. Seems to work so far for one loadcase and homogeneous materials. 2011-10-24 18:26:34 +00:00
Martin Diehl 0f34d14bee again edited the makefile, no there is more flexibility in defining the libraries (FFTW and ACML)
added the source of fftw-3.3.tar.gz to fulfill the GPL
set_python_env.py was forgotten during last commit (for testing)
2011-10-24 16:57:51 +00:00
Martin Diehl 8ac1891b3c moved DAMASK_NaN to prec.f90 respectively prec_single.f90 as it is precision dependent 2011-10-20 16:46:11 +00:00
Martin Diehl ac342ad682 worked on the updating on increments, does not work properly until now 2011-10-19 09:05:02 +00:00
Krishna Komerla 0a46741a77 changing header to correct number of increments 2011-10-18 16:42:06 +00:00
Martin Diehl 9d3f74ce5f polishing 2011-10-18 14:46:07 +00:00
Martin Diehl 7746390688 using keywords to indicate geometry and loadcase
enabled finetuning of FFTW
added some debugging options
reading in rotation of boundary conditions
using header in geometry file
corrected error in calculating tolerance for stress BC
polishing of output, variable declaration, and variable names
2011-10-18 14:45:32 +00:00
Martin Diehl 9a6977b024 changed commandline parameters into a keyword driven form
use "-l, --load, --loadcase" to specify loadcase file and 
"-g, --geom, --geometry" to specify geometry file
!incremental update, wait for commit of damask_spectral.f90 before checking out
2011-10-18 09:25:17 +00:00
Martin Diehl ea2ba1573c polishing
!incremental update, wait for commit of damask_spectral.f90 before checking out
2011-10-18 09:22:33 +00:00
Martin Diehl 7604a8aeb4 corrected calculation of NaN, renamed variable to 'DAMASK_NaN'
!incremental update, wait for commit of damask_spectral.f90 before checking out
2011-10-18 09:21:38 +00:00
Martin Diehl 6cf464b8a9 added 'spectralPictureMode' for reading in geometries with 1to1 mapping (e.g. EBSD pattern)
polishing
!incremental update, wait for commit of damask_spectral.f90 before checking out
2011-10-18 09:20:29 +00:00
Martin Diehl 6ed27a2a13 added 'spectralPictureMode' for reading in geometries with 1to1 mapping (e.g. EBSD pattern)
!incremental update, wait for commit of damask_spectral.f90 before checking out
2011-10-18 09:18:05 +00:00
Martin Diehl a8a53ee525 added two parameters to control behavior of FFTW, timelimit is not working at the moment
remove fftw3.f as it is not needed anymore
!incremental update, wait for commit of damask_spectral.f90 before checking out
2011-10-18 09:16:18 +00:00
Martin Diehl 4989535500 new version 3.3 of FFTW. Compiled with gfortran but only for multicore support (single core library is still the old version 3.2.2). Now either POSIX threads or OMP can be used by choosing the corresponding library file
Some further polishing (besides of new description for FFTW) of the makefile
2011-10-13 12:41:01 +00:00
Franz Roters 8edb59d50c removed some unused variables 2011-09-26 09:55:38 +00:00
Franz Roters 58917b5abe corrected error messages
you can now switch of shear banding by seting sb_velocity to zero
stacking fault energy parameters are now read from material.config
2011-09-26 09:55:08 +00:00
Franz Roters 2e263dee90 merged in the shear band code, it compiles but is not otherwise tested yet 2011-09-16 15:55:18 +00:00
Franz Roters 9d091bdc3f added parameters for shear band model 2011-09-14 13:35:28 +00:00
Franz Roters ee83904548 added math_spectralDecompositionSym3x3 used by shear band model 2011-09-14 13:26:00 +00:00
Martin Diehl 483b483816 dummy update because those messages got lost:
Date: Tue, 13 Sep 2011 17:46:44 +0200
From: m.diehl@mpie.de
To: wangleyu@msu.edu, lebenso@lanl.gov, denny.tjahjanto@imdea.org,
 o.guevenc@mpie.de, n.jia@mpie.de, m.diehl@mpie.de, c.kords@mpie.de,
 c.zambaldi@mpie.de, p.eisenlohr@mpie.de, f.roters@mpie.de
Subject: update: /home/svn/repos/DAMASK to 1000
Message-ID: <4e6f7ae4.Xjnd/szYAh8QCXTo%m.diehl@mpie.de>
User-Agent: Heirloom mailx 12.2 01/07/07
MIME-Version: 1.0
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A   processing/pre/FromEBSD/
A   processing/pre/FromEBSD/Hex2Cub.cpp
A   processing/pre/FromEBSD/SpectralMethodFromEBDS
A   processing/pre/FromEBSD/patchFromReconstructedBoundaries
D   processing/pre/patchFromReconstructedBoundaries

added two small (quick and dirty) tools to convert data from EBSD to input files for spectral method, put them together with patchFromReconstructedBoundaries into new folder.
Date: Tue, 13 Sep 2011 17:54:06 +0200
From: m.diehl@mpie.de
To: wangleyu@msu.edu, lebenso@lanl.gov, denny.tjahjanto@imdea.org,
 o.guevenc@mpie.de, n.jia@mpie.de, m.diehl@mpie.de, c.kords@mpie.de,
 c.zambaldi@mpie.de, p.eisenlohr@mpie.de, f.roters@mpie.de
Subject: update: /home/svn/repos/DAMASK to 1001
Message-ID: <4e6f7c9e.v9E4JVN2a6bg5tL8%m.diehl@mpie.de>
User-Agent: Heirloom mailx 12.2 01/07/07
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U   code/DAMASK_spectral.f90
U   code/DAMASK_spectral_interface.f90
U   code/IO.f90
U   code/crystallite.f90
U   code/homogenization_RGC.f90
U   code/lattice.f90
U   code/makefile
U   code/material.f90
U   code/mesh.f90

did a lot of polishing:
- removed unnecessary "return" before end of subroutine or function:
- changed undetermined array length (:) to (1:3)

To prevent problems with some code analysing tools:
- "3D oneliner loops" (with ";) only for "do" and "enddo" at the same time
- removed line continuation in OMP statements

made the makefile more flexible, removed heap-arrays switch
Date: Tue, 13 Sep 2011 17:57:07 +0200
From: m.diehl@mpie.de
To: wangleyu@msu.edu, lebenso@lanl.gov, denny.tjahjanto@imdea.org,
 o.guevenc@mpie.de, n.jia@mpie.de, m.diehl@mpie.de, c.kords@mpie.de,
 c.zambaldi@mpie.de, p.eisenlohr@mpie.de, f.roters@mpie.de
Subject: update: /home/svn/repos/DAMASK to 1002
Message-ID: <4e6f7d53.IEDDzo+JSzDWNSBr%m.diehl@mpie.de>
User-Agent: Heirloom mailx 12.2 01/07/07
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A   documentation/Compiling/
A   documentation/Compiling/Stack+usage.pdf
A   documentation/ParallelizationAndTuning/
A   documentation/ParallelizationAndTuning/BSC_tools_Overview.pdf
A   documentation/ParallelizationAndTuning/Intro_Perf.pdf
A   documentation/ParallelizationAndTuning/Kcachegrind.pdf
A   documentation/ParallelizationAndTuning/LRZ210703_1.pdf
A   documentation/ParallelizationAndTuning/LRZ210703_2.pdf
A   documentation/ParallelizationAndTuning/MUST_Overview.pdf
A   documentation/ParallelizationAndTuning/NPB-MZ-MPI-BT_Exercise.pdf
A   documentation/ParallelizationAndTuning/PAPI.pdf
A   documentation/ParallelizationAndTuning/PSC_Exercise_BT-MPI.pdf
A   documentation/ParallelizationAndTuning/Paraver_Exercise.pdf
A   documentation/ParallelizationAndTuning/Periscope_Overview.pdf
A   documentation/ParallelizationAndTuning/SIONlib.pdf
A   documentation/ParallelizationAndTuning/Scalasca_Examples.pdf
A   documentation/ParallelizationAndTuning/Scalasca_Exercise_BTMZ.pdf
A   documentation/ParallelizationAndTuning/Scalasca_Overview.pdf
A   documentation/ParallelizationAndTuning/Scalasca_Patterns.pdf
A   documentation/ParallelizationAndTuning/TAU.pdf
A   documentation/ParallelizationAndTuning/VIHPS-TW8.pdf
A   documentation/ParallelizationAndTuning/Vampir_Exercise.pdf
A   documentation/ParallelizationAndTuning/Vampir_Overview.pdf
A   documentation/ParallelizationAndTuning/instructions_periscope.pdf
A   documentation/ParallelizationAndTuning/manualf06.pdf

added some information from Tuning workshop in Aachen regarding tuning/parallelization

added slides with information how to prevent segmentation fauld
2011-09-14 08:16:42 +00:00
Philip Eisenlohr c7c541f393 corrected typos and such 2011-09-13 15:57:58 +00:00
Martin Diehl c35ea33f8e did a lot of polishing:
- removed unnecessary "return" before end of subroutine or function:
- changed undetermined array length (:) to (1:3)

To prevent problems with some code analysing tools:
- "3D oneliner loops" (with ";) only for "do" and "enddo" at the same time
- removed line continuation in OMP statements

made the makefile more flexible, removed heap-arrays switch
2011-09-13 15:54:06 +00:00
Franz Roters cbbc3e84fe solved argument mismatch 2011-09-13 14:15:17 +00:00
Franz Roters 1dd2591982 corrected wrong check of twin systems 2011-09-13 08:18:43 +00:00
Christoph Kords 7be2701989 * new output variable "internalstress", which gives the internal stress tensor
* use "math_invert3x3" instead of "math_inv3x3" for inversion of Fe
* for dislocation stress calculation: first regular case, then special case of dead dislocations in central ip
* "dv_dtau" now given for each dislocation type, so is a (ns,4) array
* deleted unused variables in "_LpAndItsTangent"
* corrected contribution of deads in "_LpAndItsTangent"
* the NaN variables defined in math did not give a proper NaN value, so use 0.0/0.0 again
* neighbors with nonlocal constitution but local properties (i.e. /nonlocal/ flag not set) are also considered for incoming fluxes
2011-09-07 11:30:28 +00:00
Martin Diehl e8628996ff added IO error in case mixed BC that allow rotation are given 2011-09-02 13:50:05 +00:00
Martin Diehl fe9754a41c previous commit was wrong file 2011-09-02 10:46:37 +00:00
Martin Diehl 43e2684cfb added new glide system for hex lattice 2011-09-02 10:43:49 +00:00
Martin Diehl 0469d37fc3 cleaned and restructured output on screen, changed L_inf norm to L_2 for calculation of error in Fourier space.
removed unnecessary function from math.f90
added some documents/manuals regarding spectral method
2011-08-31 14:37:01 +00:00
Martin Diehl f527bdcc78 changed standard values according to numerics.f90 2011-08-30 11:21:39 +00:00
Martin Diehl 8f90f1f1f9 corrected description of algorithm to invert matrix 2011-08-30 07:29:13 +00:00
Martin Diehl 4fb1cb8f87 merged calcmodes, i.e. equilibrium and fulfilling of stress BC is done in one step,
made convergence independent of size and resolution,
polishing output in DAMASK_spectral.f90
added function to compute eigenvalues without eigenvectors and function to convert a 3x3 logical to a 9 vector in math.f90
removed obsolete variable in numerics.f90
2011-08-26 14:06:37 +00:00