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
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
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>
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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>
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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
- 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
* 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
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
corrected calculation of stress BC condition. Depending on given BC, the stiffness matrix is reduced and than inversed. Then it is filled with zeros and used for the calculation of the correct change of deformation gradient. All calculation is done using dP/dF
fixed bug in bc_temperature assignment that was hitting memory.
Temperature is taken from the first loadcase and evolves from there in an adiabatic fashion for the moment. I.e. T-specifications from later loadcases are ignored...
* dislocation flux is blocked if we encounter a sign change in the resolved shear stress from the central ip to the neighbor
* do not set density to zero if below certain threshold; this creates an artificial sink term
* damper initialized with one
* inversion of Mandelized stiffness tensor does not work, have to use plain tensor
* new functions in math that allow for conversion between Mandel and Plain tensors
Martin Diehl