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DAMASK_EICMD/code/numerics.f90

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removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
!--------------------------------------------------------------------------------------------------
! $Id$
!--------------------------------------------------------------------------------------------------
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Managing of parameters related to numerics
!--------------------------------------------------------------------------------------------------
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
module numerics
corrected reporting of basic PETSc variant and unified reporting of all spectral solvers improved warning and error in IO, now able to report correctly elements up to 9 digits
2013-01-10 03:49:32 +05:30
use prec, only: &
pInt, &
pReal
added a new module called numerics.f90 which reads in all numerical "parameters" from the file numerics.config (also being added). From now on this file has to be located in the working directory of the FEM-model and has to contain all necessary parameters.
2009-06-15 18:41:21 +05:30
corrected reporting of basic PETSc variant and unified reporting of all spectral solvers improved warning and error in IO, now able to report correctly elements up to 9 digits
2013-01-10 03:49:32 +05:30
implicit none
private
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
#ifdef FEM
#include <finclude/petsc.h90>
#endif
corrected reporting of basic PETSc variant and unified reporting of all spectral solvers improved warning and error in IO, now able to report correctly elements up to 9 digits
2013-01-10 03:49:32 +05:30
character(len=64), parameter, private :: &
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
numerics_CONFIGFILE = 'numerics.config' !< name of configuration file
added a new module called numerics.f90 which reads in all numerical "parameters" from the file numerics.config (also being added). From now on this file has to be located in the working directory of the FEM-model and has to contain all necessary parameters.
2009-06-15 18:41:21 +05:30
corrected reporting of basic PETSc variant and unified reporting of all spectral solvers improved warning and error in IO, now able to report correctly elements up to 9 digits
2013-01-10 03:49:32 +05:30
integer(pInt), protected, public :: &
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
iJacoStiffness = 1_pInt, & !< frequency of stiffness update
iJacoLpresiduum = 1_pInt, & !< frequency of Jacobian update of residuum in Lp
nHomog = 20_pInt, & !< homogenization loop limit (only for debugging info, loop limit is determined by "subStepMinHomog")
nMPstate = 10_pInt, & !< materialpoint state loop limit
nCryst = 20_pInt, & !< crystallite loop limit (only for debugging info, loop limit is determined by "subStepMinCryst")
nState = 10_pInt, & !< state loop limit
nStress = 40_pInt, & !< stress loop limit
added missing line continuation in numerics and explicit private statements in the other files
2013-03-28 16:07:00 +05:30
pert_method = 1_pInt, & !< method used in perturbation technique for tangent
fixed type-casting problems (mainly with Lib_VTK_IO)
2013-09-26 22:51:46 +05:30
fixedSeed = 0_pInt !< fixed seeding for pseudo-random number generator, Default 0: use random seed
integer, protected, public :: &
DAMASK_NumThreadsInt = 0 !< value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
integer(pInt), public :: &
numerics_integrationMode = 0_pInt !< integrationMode 1 = central solution ; integrationMode 2 = perturbation, Default 0: undefined, is not read from file
corrected reporting of basic PETSc variant and unified reporting of all spectral solvers improved warning and error in IO, now able to report correctly elements up to 9 digits
2013-01-10 03:49:32 +05:30
integer(pInt), dimension(2) , protected, public :: &
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
numerics_integrator = 1_pInt !< method used for state integration (central & perturbed state), Default 1: fix-point iteration for both states
corrected reporting of basic PETSc variant and unified reporting of all spectral solvers improved warning and error in IO, now able to report correctly elements up to 9 digits
2013-01-10 03:49:32 +05:30
real(pReal), protected, public :: &
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
relevantStrain = 1.0e-7_pReal, & !< strain increment considered significant (used by crystallite to determine whether strain inc is considered significant)
defgradTolerance = 1.0e-7_pReal, & !< deviation of deformation gradient that is still allowed (used by CPFEM to determine outdated ffn1)
pert_Fg = 1.0e-7_pReal, & !< strain perturbation for FEM Jacobi
subStepMinCryst = 1.0e-3_pReal, & !< minimum (relative) size of sub-step allowed during cutback in crystallite
subStepMinHomog = 1.0e-3_pReal, & !< minimum (relative) size of sub-step allowed during cutback in homogenization
subStepSizeCryst = 0.25_pReal, & !< size of first substep when cutback in crystallite
subStepSizeHomog = 0.25_pReal, & !< size of first substep when cutback in homogenization
stepIncreaseCryst = 1.5_pReal, & !< increase of next substep size when previous substep converged in crystallite
stepIncreaseHomog = 1.5_pReal, & !< increase of next substep size when previous substep converged in homogenization
rTol_crystalliteState = 1.0e-6_pReal, & !< relative tolerance in crystallite state loop
rTol_crystalliteStress = 1.0e-6_pReal, & !< relative tolerance in crystallite stress loop
aTol_crystalliteStress = 1.0e-8_pReal, & !< absolute tolerance in crystallite stress loop, Default 1.0e-8: residuum is in Lp and hence strain is on this order
numerics_unitlength = 1.0_pReal, & !< determines the physical length of one computational length unit
absTol_RGC = 1.0e+4_pReal, & !< absolute tolerance of RGC residuum
relTol_RGC = 1.0e-3_pReal, & !< relative tolerance of RGC residuum
absMax_RGC = 1.0e+10_pReal, & !< absolute maximum of RGC residuum
relMax_RGC = 1.0e+2_pReal, & !< relative maximum of RGC residuum
pPert_RGC = 1.0e-7_pReal, & !< perturbation for computing RGC penalty tangent
xSmoo_RGC = 1.0e-5_pReal, & !< RGC penalty smoothing parameter (hyperbolic tangent)
viscPower_RGC = 1.0e+0_pReal, & !< power (sensitivity rate) of numerical viscosity in RGC scheme, Default 1.0e0: Newton viscosity (linear model)
viscModus_RGC = 0.0e+0_pReal, & !< stress modulus of RGC numerical viscosity, Default 0.0e0: No viscosity is applied
refRelaxRate_RGC = 1.0e-3_pReal, & !< reference relaxation rate in RGC viscosity
maxdRelax_RGC = 1.0e+0_pReal, & !< threshold of maximum relaxation vector increment (if exceed this then cutback)
maxVolDiscr_RGC = 1.0e-5_pReal, & !< threshold of maximum volume discrepancy allowed
volDiscrMod_RGC = 1.0e+12_pReal, & !< stiffness of RGC volume discrepancy (zero = without volume discrepancy constraint)
added mesh dependent characteristic length as a numerical parameter needed for gradient and phase field problems on unstructured meshes
2014-06-25 04:48:07 +05:30
volDiscrPow_RGC = 5.0_pReal, & !< powerlaw penalty for volume discrepancy
charLength = 1.0_pReal !< characteristic length scale for gradient problems
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
logical, protected, public :: &
fixed al and pol solver, now checking for div(p) = curl(f) = 0
2013-08-07 22:50:05 +05:30
analyticJaco = .false., & !< use analytic Jacobian or perturbation, Default .false.: calculate Jacobian using perturbations
further improvements on implementing the plain mode
2013-04-16 22:37:27 +05:30
usePingPong = .true., &
fixed al and pol solver, now checking for div(p) = curl(f) = 0
2013-08-07 22:50:05 +05:30
numerics_timeSyncing = .false. !< flag indicating if time synchronization in crystallite is used for nonlocal plasticity
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
!--------------------------------------------------------------------------------------------------
! spectral parameters:
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
#ifdef Spectral
corrected reporting of basic PETSc variant and unified reporting of all spectral solvers improved warning and error in IO, now able to report correctly elements up to 9 digits
2013-01-10 03:49:32 +05:30
real(pReal), protected, public :: &
fixed al and pol solver, now checking for div(p) = curl(f) = 0
2013-08-07 22:50:05 +05:30
err_div_tolAbs = 1.0e-10_pReal, & !< absolute tolerance for equilibrium
err_div_tolRel = 5.0e-4_pReal, & !< relative tolerance for equilibrium
err_curl_tolAbs = 1.0e-10_pReal, & !< absolute tolerance for compatibility
err_curl_tolRel = 5.0e-4_pReal, & !< relative tolerance for compatibility
err_stress_tolAbs = 1.0e3_pReal, & !< absolute tolerance for fullfillment of stress BC
err_stress_tolRel = 0.01_pReal, & !< relative tolerance for fullfillment of stress BC
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
fftw_timelimit = -1.0_pReal, & !< sets the timelimit of plan creation for FFTW, see manual on www.fftw.org, Default -1.0: disable timelimit
rotation_tol = 1.0e-12_pReal, & !< tolerance of rotation specified in loadcase, Default 1.0e-12: first guess
polarAlpha = 1.0_pReal, & !< polarization scheme parameter 0.0 < alpha < 2.0. alpha = 1.0 ==> AL scheme, alpha = 2.0 ==> accelerated scheme
polarBeta = 1.0_pReal !< polarization scheme parameter 0.0 < beta < 2.0. beta = 1.0 ==> AL scheme, beta = 2.0 ==> accelerated scheme
corrected reporting of basic PETSc variant and unified reporting of all spectral solvers improved warning and error in IO, now able to report correctly elements up to 9 digits
2013-01-10 03:49:32 +05:30
character(len=64), private :: &
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
fftw_plan_mode = 'FFTW_PATIENT' !< reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag
corrected reporting of basic PETSc variant and unified reporting of all spectral solvers improved warning and error in IO, now able to report correctly elements up to 9 digits
2013-01-10 03:49:32 +05:30
character(len=64), protected, public :: &
changed naming convention (keeping backward compatibility in numerics.config): myspectralsolver --> spectral_solver (called "spectralsolver") myfilter --> spectral_filter (called "spectralfilter")
2014-09-04 01:29:47 +05:30
spectral_solver = 'basic' , & !< spectral solution method
spectral_filter = 'none' !< spectral filtering method
corrected reporting of basic PETSc variant and unified reporting of all spectral solvers improved warning and error in IO, now able to report correctly elements up to 9 digits
2013-01-10 03:49:32 +05:30
character(len=1024), protected, public :: &
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
petsc_options = '-snes_type ngmres &
&-snes_ngmres_anderson '
corrected reporting of basic PETSc variant and unified reporting of all spectral solvers improved warning and error in IO, now able to report correctly elements up to 9 digits
2013-01-10 03:49:32 +05:30
integer(pInt), protected, public :: &
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
fftw_planner_flag = 32_pInt, & !< conversion of fftw_plan_mode to integer, basically what is usually done in the include file of fftw
itmax = 250_pInt, & !< maximum number of iterations
itmin = 2_pInt, & !< minimum number of iterations
maxCutBack = 3_pInt, & !< max number of cut backs
changed handling of non-converged BVP solution: By default, exit if no solution is found to prevent "user errors" Removed ambiguous "regridMode" keyword which was used to trigger this behavior in favor of "continueCalculation", Set this to 1 to get back old behavior, e.g. report non-converged increments.
2014-03-31 15:34:11 +05:30
continueCalculation = 0_pInt, & !< 0: exit if BVP solver does not converge, 1: continue calculation if BVP solver does not converge
allowed arbitrary grid (formerly know as resolution), i.e. any integer>1 in each dimension is possible. removed square root correction for divergence (doesn't make sense) fixed FFT debug of spectral solver
2013-04-10 15:49:16 +05:30
divergence_correction = 2_pInt !< correct divergence calculation in fourier space 0: no correction, 1: size scaled to 1, 2: size scaled to Npoints
logical, protected, public :: &
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
memory_efficient = .true., & !< for fast execution (pre calculation of gamma_hat), Default .true.: do not precalculate
update_gamma = .false. !< update gamma operator with current stiffness, Default .false.: use initial stiffness
numerics got some protected statements and is now reading in the new keywords for the solver selection in small letters. spectral solver got cut back facilities + improved output to screen
2012-10-02 20:56:56 +05:30
#endif
mpie_spectral and mpie_interface: changed workingdir from pathToLoadFile to pathToGeomFile mpie_spectral and numerics: added switch to prevent pre calculation of gamma_hat. slower, but saves memory 3Dvisualize: started to add support for gmsh (not fully working yet) reconstruct: new version of f2py/Fortran subroutines for output of results from spectral method
2011-02-07 20:05:42 +05:30
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
!--------------------------------------------------------------------------------------------------
! FEM parameters:
#ifdef FEM
real(pReal), protected, public :: &
err_struct_tolAbs = 1.0e-10_pReal, & !< absolute tolerance for equilibrium
err_struct_tolRel = 5.0e-4_pReal, & !< relative tolerance for equilibrium
introduced non-zero residual damage to prevent stiffness matrix from being ill-conditioned
2014-08-11 22:43:06 +05:30
err_thermal_tol = 1.0_pReal, &
err_damage_tol = 1.0e-4_pReal, &
fixed typo
2014-08-12 02:58:15 +05:30
residualStiffness = 1.0e-6_pReal !< non-zero residual damage
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
character(len=1024), protected, public :: &
changed default petsc_options for FEM and removed unused variables
2014-09-16 15:32:37 +05:30
petsc_optionsFEM = '-mech_snes_type newtonls &
&-mech_snes_linesearch_type cp &
&-mech_snes_ksp_ew &
&-mech_snes_ksp_ew_rtol0 0.01 &
&-mech_snes_ksp_ew_rtolmax 0.01 &
&-mech_ksp_type fgmres &
&-mech_ksp_max_it 50 &
&-mech_pc_type ml &
&-mech_pc_ml_maxNlevels 2 &
&-mech_mg_coarse_ksp_type preonly &
&-mech_mg_coarse_pc_type lu &
&-mech_mg_coarse_pc_factor_mat_solver_package superlu_dist &
&-mech_mg_levels_ksp_type chebyshev &
&-mech_mg_levels_ksp_chebyshev_estimate_eigenvalues 0,0.1,0,1.1 &
&-mech_mg_levels_pc_type sor &
&-mech_pc_ml_nullspace user &
&-damage_snes_type vinewtonssls &
&-damage_snes_linesearch_type cp &
&-damage_ksp_type fgmres &
&-damage_snes_atol 1e-8 &
&-damage_pc_type ml &
&-damage_mg_levels_ksp_type chebyshev &
&-damage_mg_levels_ksp_chebyshev_estimate_eigenvalues 0,0.1,0,1.1 &
&-damage_mg_levels_pc_type sor &
&-thermal_snes_type newtonls &
&-thermal_snes_linesearch_type cp &
&-thermal_ksp_type fgmres &
thermo-mechanical example
2014-09-29 18:10:57 +05:30
&-thermal_snes_atol 1e-1 &
changed default petsc_options for FEM and removed unused variables
2014-09-16 15:32:37 +05:30
&-thermal_pc_type ml &
&-thermal_mg_levels_ksp_type chebyshev &
&-thermal_mg_levels_ksp_chebyshev_estimate_eigenvalues 0,0.1,0,1.1 &
&-thermal_mg_levels_pc_type sor'
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
integer(pInt), protected, public :: &
itmaxFEM = 250_pInt, & !< maximum number of iterations
itminFEM = 2_pInt, & !< minimum number of iterations
maxCutBackFEM = 3_pInt, & !< max number of cut backs
integrationOrder = 1_pInt, &
structOrder = 2_pInt, &
thermalOrder = 2_pInt, &
damageOrder = 2_pInt, &
worldrank = 0_pInt, &
worldsize = 0_pInt
#endif
corrected reporting of basic PETSc variant and unified reporting of all spectral solvers improved warning and error in IO, now able to report correctly elements up to 9 digits
2013-01-10 03:49:32 +05:30
public :: numerics_init
numerics got some protected statements and is now reading in the new keywords for the solver selection in small letters. spectral solver got cut back facilities + improved output to screen
2012-10-02 20:56:56 +05:30
contains
introduced a flexibility in cut-backing scheme in homogenization.f90 and in crystallite.f90: (1) subStepSizeHomog and subStepSizeCryst := size of substep when cut-back is applied (initially was hard-coded). (2) stepIncreaseHomog and stepIncreaseCryst := step increase when calculation for substep converge (was also hardcoded). introduced a possibility to choose different finite difference scheme, i.e., forward-, backward- and central-difference, for computing grain numerical tangent. note that central-difference scheme will slow down the computation significantly. please use it only if necessary. parameters to set these new features have been included in numerics.f90 and numerics.config, whereas corresponding error messages have been introduced in the IO.f90
2009-11-10 19:06:27 +05:30
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief reads in parameters from numerics.config and sets openMP related parameters. Also does
! a sanity check
!--------------------------------------------------------------------------------------------------
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
subroutine numerics_init
fixed usage of OpenMP function library
2012-06-12 15:14:05 +05:30
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
made PETSc silent by removing -snes_view from default options. introduced PETSc option for debugging that introduces some debugging options into the petsc options and move PETSc initialization from numerics to DAMASK_spectral_utilities
2012-12-15 23:37:49 +05:30
use IO, only: &
added possibility for multi-level inclusion of files in *.config and loadcase files. include subfiles by stating {path/to/include}
2013-06-27 00:49:00 +05:30
IO_read, &
made PETSc silent by removing -snes_view from default options. introduced PETSc option for debugging that introduces some debugging options into the petsc options and move PETSc initialization from numerics to DAMASK_spectral_utilities
2012-12-15 23:37:49 +05:30
IO_error, &
IO_open_file_stat, &
IO_isBlank, &
IO_stringPos, &
IO_stringValue, &
IO_lc, &
IO_floatValue, &
IO_intValue, &
reporting current time for most module inits
2013-02-25 22:04:59 +05:30
IO_warning, &
added 'reset' flag for recursive function IO_read, need to reset stack when stopping exectution (will be used by constitutive and homogenization)
2013-12-11 22:19:20 +05:30
IO_timeStamp, &
IO_EOF
made PETSc silent by removing -snes_view from default options. introduced PETSc option for debugging that introduces some debugging options into the petsc options and move PETSc initialization from numerics to DAMASK_spectral_utilities
2012-12-15 23:37:49 +05:30
compiler for spectral solver is now the version provided by petsc (similar to linking) added option to compile FEM solver with same Makefile
2014-08-25 03:37:53 +05:30
#if defined(Spectral) || defined(FEM)
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
!$ use OMP_LIB, only: omp_set_num_threads ! Use the standard conforming module file for omp if using the spectral solver
made new spectral solver the default (no need for SOLVER=NEW anymore) and added additional warnings switche to be used with gfortran >= 4.6 added comments
2012-12-15 21:51:10 +05:30
#endif
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
implicit none
polished Abaqus Standard, changed inclusion of OMP functionality from "spectral style" (include) to "marc style" (use) to prevent explicit from crashing
2013-03-25 23:55:15 +05:30
#ifndef Spectral
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
#ifndef FEM
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
!$ include "omp_lib.h" ! use the not F90 standard conforming include file to prevent crashes with some versions of MSC.Marc
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
#endif
made new spectral solver the default (no need for SOLVER=NEW anymore) and added additional warnings switche to be used with gfortran >= 4.6 added comments
2012-12-15 21:51:10 +05:30
#endif
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
integer(pInt), parameter :: FILEUNIT = 300_pInt ,&
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
maxNchunks = 2_pInt
!$ integer :: gotDAMASK_NUM_THREADS = 1
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
integer :: i, ierr ! no pInt
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
integer(pInt), dimension(1+2*maxNchunks) :: positions
set tolerances to useful values and renamed them. allowed "keyword = value" in numerics.config (simply removing "=" from line)
2013-07-31 20:33:38 +05:30
character(len=65536) :: &
tag ,&
line
fixed usage of OpenMP function library
2012-06-12 15:14:05 +05:30
!$ character(len=6) DAMASK_NumThreadsString ! environment variable DAMASK_NUM_THREADS
mpie_cpfem_marc.f90 >>> changing the compilation sequence of modules: numerics.f90 and IO.f90 move up, while math.f90 down. IO.f90 >>> adding "inRad" instead of using inRad from math.f90 module, since math.f90 module is now below IO.f90. numerics.f90 >>> now can read the parameter "fixed_seed" from numerics.config. this parameter is used to set a pseudo-random number generator/fixed seeding. default value is 0 (zero), which will give fully random number. math.f90 >> adding a possibility to fix the seeding (i.e., pseudo random number) numerics.config >>> add a new parameter: "fixed_seed"
2009-08-27 21:00:40 +05:30
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
write(6,'(/,a)') ' <<<+- numerics init -+>>>'
write(6,'(a)') ' $Id$'
added consistency check in material.f90: Microstructure index in geometry must not exceed number of sections in material.config better error messages in case of recursive file input in IO.f90. also supports absolute path now
2014-05-15 15:10:43 +05:30
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
made code standard conform to Fortran 2008 (ignoring warning concerning comments beyond character 132). Basically, changing "x" format specifier to "Nx" ("1x") plus removing $ format specifier added compiler switches for gfortran and ifort to check for standard conformity old gnu compilers <4.4 are not longer supported because they don't provide the c binding for fftw
2012-02-01 00:48:55 +05:30
#include "compilation_info.f90"
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
merge declaration and initialization with standard values corrected handling of $DAMASK_NUM_THREADS
2012-01-31 01:46:19 +05:30
!$ call GET_ENVIRONMENT_VARIABLE(NAME='DAMASK_NUM_THREADS',VALUE=DAMASK_NumThreadsString,STATUS=gotDAMASK_NUM_THREADS) ! get environment variable DAMASK_NUM_THREADS...
improved error handling when getting number of threads
2014-02-28 16:00:07 +05:30
!$ if(gotDAMASK_NUM_THREADS /= 0) then ! could not get number of threads, set it to 1
IO_error and IO_warning crashed for string of zero length (or only containing whitespaces), fixed now. Also added BEGIN and END statement to numerics in case of non-presen DAMASK_NUM_THREADS, would prevent this error and is better for debugging
2013-02-21 03:26:59 +05:30
!$ call IO_warning(35_pInt,ext_msg='BEGIN:'//DAMASK_NumThreadsString//':END')
improved error handling when getting number of threads
2014-02-28 16:00:07 +05:30
!$ DAMASK_NumThreadsInt = 1
!$ else
!$ read(DAMASK_NumThreadsString,'(i6)') DAMASK_NumThreadsInt ! read as integer
!$ if (DAMASK_NumThreadsInt < 1) DAMASK_NumThreadsInt = 1 ! in case of string conversion fails, set it to one
!$ endif
!$ call omp_set_num_threads(DAMASK_NumThreadsInt) ! set number of threads for parallel execution
some polishing concerning openMP initialization number of threads is now written to *.out file
2010-12-02 16:34:29 +05:30
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
#ifdef FEM
call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,ierr);CHKERRQ(ierr)
call MPI_Comm_size(PETSC_COMM_WORLD,worldsize,ierr);CHKERRQ(ierr)
#endif
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
!--------------------------------------------------------------------------------------------------
! try to open the config file
added 'reset' flag for recursive function IO_read, need to reset stack when stopping exectution (will be used by constitutive and homogenization)
2013-12-11 22:19:20 +05:30
fileExists: if(IO_open_file_stat(FILEUNIT,numerics_configFile)) then
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
write(6,'(a,/)') ' using values from config file'
slightly polished makefile and numerics, recompile fftw with icc; still not running with ifort 14.01
2014-02-06 16:11:34 +05:30
flush(6)
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
!--------------------------------------------------------------------------------------------------
! read variables from config file and overwrite default parameters if keyword is present
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
line = ''
added 'reset' flag for recursive function IO_read, need to reset stack when stopping exectution (will be used by constitutive and homogenization)
2013-12-11 22:19:20 +05:30
do while (trim(line) /= IO_EOF) ! read thru sections of phase part
line = IO_read(FILEUNIT)
set tolerances to useful values and renamed them. allowed "keyword = value" in numerics.config (simply removing "=" from line)
2013-07-31 20:33:38 +05:30
do i=1,len(line)
if(line(i:i) == '=') line(i:i) = ' ' ! also allow keyword = value version
enddo
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
if (IO_isBlank(line)) cycle ! skip empty lines
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
positions = IO_stringPos(line,maxNchunks)
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
select case(tag)
case ('relevantstrain')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
relevantStrain = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('defgradtolerance')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
defgradTolerance = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('ijacostiffness')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
iJacoStiffness = IO_intValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('ijacolpresiduum')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
iJacoLpresiduum = IO_intValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('pert_fg')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
pert_Fg = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('pert_method')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
pert_method = IO_intValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('nhomog')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
nHomog = IO_intValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('nmpstate')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
nMPstate = IO_intValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('ncryst')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
nCryst = IO_intValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('nstate')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
nState = IO_intValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('nstress')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
nStress = IO_intValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('substepmincryst')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
subStepMinCryst = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('substepsizecryst')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
subStepSizeCryst = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('stepincreasecryst')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
stepIncreaseCryst = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('substepminhomog')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
subStepMinHomog = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('substepsizehomog')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
subStepSizeHomog = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('stepincreasehomog')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
stepIncreaseHomog = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('rtol_crystallitestate')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
rTol_crystalliteState = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('rtol_crystallitestress')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
rTol_crystalliteStress = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('atol_crystallitestress')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
aTol_crystalliteStress = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('integrator')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
numerics_integrator(1) = IO_intValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('integratorstiffness')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
numerics_integrator(2) = IO_intValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('analyticjaco')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
analyticJaco = IO_intValue(line,positions,2_pInt) > 0_pInt
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
case ('usepingpong')
usepingpong = IO_intValue(line,positions,2_pInt) > 0_pInt
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
case ('timesyncing')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
numerics_timeSyncing = IO_intValue(line,positions,2_pInt) > 0_pInt
forgot to check in; belongs to rev 1762
2012-09-24 21:52:25 +05:30
case ('unitlength')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
numerics_unitlength = IO_floatValue(line,positions,2_pInt)
List of changes/modifications: * IO.f90 :: Adding error messages for RGC homogenization * crystallite.f90 :: Modifying convergent criteria in crystalline_updateState and crystalline_updateTemperature * material.f90 :: Adding IO_lc in homogenization_type(Name) * debug.f90 :: Adding debbugging statement and counter for material point loop * homogenization.f90 :: Adding homogenization_RGC blocks * homogenization_isostrain.f90 :: Modifying argument of homogenization_isostrain_stateInit * mpie_cpfem_marc.f90 :: Adding homogenization_RGC include * numerics.f90 :: Adding numerical parameters for RGC scheme * math.f90 :: Changing function name: math_permut to math_civita
2009-07-31 17:32:20 +05:30
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
!--------------------------------------------------------------------------------------------------
! RGC parameters
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('atol_rgc')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
absTol_RGC = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('rtol_rgc')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
relTol_RGC = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('amax_rgc')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
absMax_RGC = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('rmax_rgc')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
relMax_RGC = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('perturbpenalty_rgc')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
pPert_RGC = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('relevantmismatch_rgc')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
xSmoo_RGC = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('viscositypower_rgc')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
viscPower_RGC = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('viscositymodulus_rgc')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
viscModus_RGC = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('refrelaxationrate_rgc')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
refRelaxRate_RGC = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('maxrelaxation_rgc')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
maxdRelax_RGC = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('maxvoldiscrepancy_rgc')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
maxVolDiscr_RGC = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('voldiscrepancymod_rgc')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
volDiscrMod_RGC = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('discrepancypower_rgc')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
volDiscrPow_RGC = IO_floatValue(line,positions,2_pInt)
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
!--------------------------------------------------------------------------------------------------
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
! random seeding parameter
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
case ('fixed_seed')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
fixedSeed = IO_intValue(line,positions,2_pInt)
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
added mesh dependent characteristic length as a numerical parameter needed for gradient and phase field problems on unstructured meshes
2014-06-25 04:48:07 +05:30
!--------------------------------------------------------------------------------------------------
! gradient parameter
case ('charlength')
charLength = IO_floatValue(line,positions,2_pInt)
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
!--------------------------------------------------------------------------------------------------
! spectral parameters
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
#ifdef Spectral
fixed al and pol solver, now checking for div(p) = curl(f) = 0
2013-08-07 22:50:05 +05:30
case ('err_div_tolabs')
err_div_tolAbs = IO_floatValue(line,positions,2_pInt)
case ('err_div_tolrel')
err_div_tolRel = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('err_stress_tolrel')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
err_stress_tolrel = IO_floatValue(line,positions,2_pInt)
added missing ":" in mesh.f90, introduced absolute stress tolerance for spectral solver in numerics.config/numerics.f90
2012-04-11 18:27:25 +05:30
case ('err_stress_tolabs')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
err_stress_tolabs = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('itmax')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
itmax = IO_intValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('itmin')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
itmin = IO_intValue(line,positions,2_pInt)
added new cut back parameter for spectral solver and instrumented variables for use with doxygen
2012-09-13 15:18:38 +05:30
case ('maxcutback')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
maxCutBack = IO_intValue(line,positions,2_pInt)
changed handling of non-converged BVP solution: By default, exit if no solution is found to prevent "user errors" Removed ambiguous "regridMode" keyword which was used to trigger this behavior in favor of "continueCalculation", Set this to 1 to get back old behavior, e.g. report non-converged increments.
2014-03-31 15:34:11 +05:30
case ('continuecalculation')
continueCalculation = IO_intValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('memory_efficient')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
memory_efficient = IO_intValue(line,positions,2_pInt) > 0_pInt
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('fftw_timelimit')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
fftw_timelimit = IO_floatValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('fftw_plan_mode')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
fftw_plan_mode = IO_lc(IO_stringValue(line,positions,2_pInt))
changed naming convention (keeping backward compatibility in numerics.config): myspectralsolver --> spectral_solver (called "spectralsolver") myfilter --> spectral_filter (called "spectralfilter")
2014-09-04 01:29:47 +05:30
case ('spectralfilter','myfilter')
spectral_filter = IO_lc(IO_stringValue(line,positions,2_pInt))
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('divergence_correction')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
divergence_correction = IO_intValue(line,positions,2_pInt)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
case ('update_gamma')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
update_gamma = IO_intValue(line,positions,2_pInt) > 0_pInt
new solver is now compiling without a PETSc installation, however only the plain basic solver is available then. also removed reporting of PETSc related variables in the case it is not installed/found
2012-08-29 00:49:47 +05:30
#ifdef PETSc
case ('petsc_options')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
petsc_options = trim(line(positions(4):))
changed naming convention (keeping backward compatibility in numerics.config): myspectralsolver --> spectral_solver (called "spectralsolver") myfilter --> spectral_filter (called "spectralfilter")
2014-09-04 01:29:47 +05:30
case ('spectralsolver','myspectralsolver')
spectral_solver = IO_lc(IO_stringValue(line,positions,2_pInt))
fixed al and pol solver, now checking for div(p) = curl(f) = 0
2013-08-07 22:50:05 +05:30
case ('err_curl_tolabs')
err_curl_tolAbs = IO_floatValue(line,positions,2_pInt)
case ('err_curl_tolrel')
err_curl_tolRel = IO_floatValue(line,positions,2_pInt)
restructured AL solver to resemble polarization scheme and introduced alpha and beta parameters in numerics to determine what kind of solution you want. alpha = beta = 1 results in the AL scheme. alpha = beta = 2 results in the accelerated scheme. safe values are anything in between. changed the solver to use stress calculations on the campatible field which seems to result in faster convergence.
2013-02-28 23:05:02 +05:30
case ('polaralpha')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
polarAlpha = IO_floatValue(line,positions,2_pInt)
restructured AL solver to resemble polarization scheme and introduced alpha and beta parameters in numerics to determine what kind of solution you want. alpha = beta = 1 results in the AL scheme. alpha = beta = 2 results in the accelerated scheme. safe values are anything in between. changed the solver to use stress calculations on the campatible field which seems to result in faster convergence.
2013-02-28 23:05:02 +05:30
case ('polarbeta')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
polarBeta = IO_floatValue(line,positions,2_pInt)
new solver is now compiling without a PETSc installation, however only the plain basic solver is available then. also removed reporting of PETSc related variables in the case it is not installed/found
2012-08-29 00:49:47 +05:30
#endif
#ifndef PETSc
changed naming convention (keeping backward compatibility in numerics.config): myspectralsolver --> spectral_solver (called "spectralsolver") myfilter --> spectral_filter (called "spectralfilter")
2014-09-04 01:29:47 +05:30
case ('spectralsolver', 'myspectralsolver', 'petsc_options', &
fixed al and pol solver, now checking for div(p) = curl(f) = 0
2013-08-07 22:50:05 +05:30
'err_curl_tolabs','err_curl_tolrel','polaralpha','polarBeta') ! found PETSc parameter, but compiled without PETSc
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
call IO_warning(41_pInt,ext_msg=tag)
new solver is now compiling without a PETSc installation, however only the plain basic solver is available then. also removed reporting of PETSc related variables in the case it is not installed/found
2012-08-29 00:49:47 +05:30
#endif
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
#endif
#ifndef Spectral
fixed al and pol solver, now checking for div(p) = curl(f) = 0
2013-08-07 22:50:05 +05:30
case ('err_div_tolabs','err_div_tolrel','err_stress_tolrel','err_stress_tolabs',& ! found spectral parameter for FEM build
reverted some changes from previous commit
2014-06-06 14:27:24 +05:30
'itmax', 'itmin','memory_efficient','fftw_timelimit','fftw_plan_mode', &
changed naming convention (keeping backward compatibility in numerics.config): myspectralsolver --> spectral_solver (called "spectralsolver") myfilter --> spectral_filter (called "spectralfilter")
2014-09-04 01:29:47 +05:30
'divergence_correction','update_gamma','spectralfilter','myfilter', &
fixed some buggy last minute changes in the last commit
2013-08-08 14:43:29 +05:30
'err_curl_tolabs','err_curl_tolrel', &
fixed al and pol solver, now checking for div(p) = curl(f) = 0
2013-08-07 22:50:05 +05:30
'maxcutback','polaralpha','polarbeta')
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
call IO_warning(40_pInt,ext_msg=tag)
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
#endif
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
!--------------------------------------------------------------------------------------------------
! FEM parameters
#ifdef FEM
case ('err_struct_tolabs')
err_struct_tolAbs = IO_floatValue(line,positions,2_pInt)
case ('err_struct_tolrel')
err_struct_tolRel = IO_floatValue(line,positions,2_pInt)
case ('err_thermal_tol')
err_thermal_tol = IO_floatValue(line,positions,2_pInt)
case ('err_damage_tol')
err_damage_tol = IO_floatValue(line,positions,2_pInt)
introduced non-zero residual damage to prevent stiffness matrix from being ill-conditioned
2014-08-11 22:43:06 +05:30
case ('residualstiffness')
residualStiffness = IO_floatValue(line,positions,2_pInt)
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
case ('itmaxfem')
itmaxFEM = IO_intValue(line,positions,2_pInt)
case ('itminfem')
itminFEM = IO_intValue(line,positions,2_pInt)
case ('maxcutbackfem')
maxCutBackFEM = IO_intValue(line,positions,2_pInt)
case ('integrationorder')
integrationorder = IO_intValue(line,positions,2_pInt)
case ('structorder')
structorder = IO_intValue(line,positions,2_pInt)
case ('thermalorder')
thermalorder = IO_intValue(line,positions,2_pInt)
case ('damageorder')
damageorder = IO_intValue(line,positions,2_pInt)
case ('petsc_optionsfem')
petsc_optionsFEM = trim(line(positions(4):))
#endif
#ifndef FEM
introduced non-zero residual damage to prevent stiffness matrix from being ill-conditioned
2014-08-11 22:43:06 +05:30
case ('err_struct_tolabs','err_struct_tolrel','err_thermal_tol','err_damage_tol','residualstiffness',& ! found spectral parameter for FEM build
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
'itmaxfem', 'itminfem','maxcutbackfem','integrationorder','structorder','thermalorder', &
changed default petsc_options for FEM and removed unused variables
2014-09-16 15:32:37 +05:30
'damageorder','petsc_optionsfem')
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
call IO_warning(40_pInt,ext_msg=tag)
#endif
fixed some buggy last minute changes in the last commit
2013-08-08 14:43:29 +05:30
case default ! found unknown keyword
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
call IO_error(300_pInt,ext_msg=tag)
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
endselect
enddo
added 'reset' flag for recursive function IO_read, need to reset stack when stopping exectution (will be used by constitutive and homogenization)
2013-12-11 22:19:20 +05:30
close(FILEUNIT)
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
else fileExists
write(6,'(a,/)') ' using standard values'
slightly polished makefile and numerics, recompile fftw with icc; still not running with ifort 14.01
2014-02-06 16:11:34 +05:30
flush(6)
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
endif fileExists
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
#ifdef Spectral
fixed some buggy last minute changes in the last commit
2013-08-08 14:43:29 +05:30
select case(IO_lc(fftw_plan_mode)) ! setting parameters for the plan creation of FFTW. Basically a translation from fftw3.f
changes on convergence tolerances of AL and Polarisation, switched back to immediate correction of stress bc but only when last two average stresses are close to each other (cosine decay)
2013-07-30 21:02:55 +05:30
case('estimate','fftw_estimate') ! ordered from slow execution (but fast plan creation) to fast execution
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
fftw_planner_flag = 64_pInt
case('measure','fftw_measure')
fftw_planner_flag = 0_pInt
case('patient','fftw_patient')
fftw_planner_flag= 32_pInt
case('exhaustive','fftw_exhaustive')
fftw_planner_flag = 8_pInt
case default
call IO_warning(warning_ID=47_pInt,ext_msg=trim(IO_lc(fftw_plan_mode)))
fftw_planner_flag = 32_pInt
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
end select
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
#endif
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
numerics_timeSyncing = numerics_timeSyncing .and. all(numerics_integrator==2_pInt) ! timeSyncing only allowed for explicit Euler integrator
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-28 00:06:55 +05:30
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
!--------------------------------------------------------------------------------------------------
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
! writing parameters to output
write(6,'(a24,1x,es8.1)') ' relevantStrain: ',relevantStrain
write(6,'(a24,1x,es8.1)') ' defgradTolerance: ',defgradTolerance
write(6,'(a24,1x,i8)') ' iJacoStiffness: ',iJacoStiffness
write(6,'(a24,1x,i8)') ' iJacoLpresiduum: ',iJacoLpresiduum
write(6,'(a24,1x,es8.1)') ' pert_Fg: ',pert_Fg
write(6,'(a24,1x,i8)') ' pert_method: ',pert_method
write(6,'(a24,1x,i8)') ' nCryst: ',nCryst
write(6,'(a24,1x,es8.1)') ' subStepMinCryst: ',subStepMinCryst
write(6,'(a24,1x,es8.1)') ' subStepSizeCryst: ',subStepSizeCryst
write(6,'(a24,1x,es8.1)') ' stepIncreaseCryst: ',stepIncreaseCryst
write(6,'(a24,1x,i8)') ' nState: ',nState
write(6,'(a24,1x,i8)') ' nStress: ',nStress
write(6,'(a24,1x,es8.1)') ' rTol_crystalliteState: ',rTol_crystalliteState
write(6,'(a24,1x,es8.1)') ' rTol_crystalliteStress: ',rTol_crystalliteStress
write(6,'(a24,1x,es8.1)') ' aTol_crystalliteStress: ',aTol_crystalliteStress
write(6,'(a24,2(1x,i8))') ' integrator: ',numerics_integrator
write(6,'(a24,1x,L8)') ' timeSyncing: ',numerics_timeSyncing
write(6,'(a24,1x,L8)') ' analytic Jacobian: ',analyticJaco
introduced plain mode (no ping pong) again and added test for MSC.MArc 2012 as prove that its working
2013-05-17 23:22:46 +05:30
write(6,'(a24,1x,L8)') ' use ping pong scheme: ',usepingpong
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
write(6,'(a24,1x,es8.1,/)')' unitlength: ',numerics_unitlength
write(6,'(a24,1x,i8)') ' nHomog: ',nHomog
write(6,'(a24,1x,es8.1)') ' subStepMinHomog: ',subStepMinHomog
write(6,'(a24,1x,es8.1)') ' subStepSizeHomog: ',subStepSizeHomog
write(6,'(a24,1x,es8.1)') ' stepIncreaseHomog: ',stepIncreaseHomog
write(6,'(a24,1x,i8,/)') ' nMPstate: ',nMPstate
List of changes/modifications: * IO.f90 :: Adding error messages for RGC homogenization * crystallite.f90 :: Modifying convergent criteria in crystalline_updateState and crystalline_updateTemperature * material.f90 :: Adding IO_lc in homogenization_type(Name) * debug.f90 :: Adding debbugging statement and counter for material point loop * homogenization.f90 :: Adding homogenization_RGC blocks * homogenization_isostrain.f90 :: Modifying argument of homogenization_isostrain_stateInit * mpie_cpfem_marc.f90 :: Adding homogenization_RGC include * numerics.f90 :: Adding numerical parameters for RGC scheme * math.f90 :: Changing function name: math_permut to math_civita
2009-07-31 17:32:20 +05:30
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
!--------------------------------------------------------------------------------------------------
! RGC parameters
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
write(6,'(a24,1x,es8.1)') ' aTol_RGC: ',absTol_RGC
write(6,'(a24,1x,es8.1)') ' rTol_RGC: ',relTol_RGC
write(6,'(a24,1x,es8.1)') ' aMax_RGC: ',absMax_RGC
write(6,'(a24,1x,es8.1)') ' rMax_RGC: ',relMax_RGC
write(6,'(a24,1x,es8.1)') ' perturbPenalty_RGC: ',pPert_RGC
write(6,'(a24,1x,es8.1)') ' relevantMismatch_RGC: ',xSmoo_RGC
write(6,'(a24,1x,es8.1)') ' viscosityrate_RGC: ',viscPower_RGC
write(6,'(a24,1x,es8.1)') ' viscositymodulus_RGC: ',viscModus_RGC
write(6,'(a24,1x,es8.1)') ' maxrelaxation_RGC: ',maxdRelax_RGC
write(6,'(a24,1x,es8.1)') ' maxVolDiscrepancy_RGC: ',maxVolDiscr_RGC
write(6,'(a24,1x,es8.1)') ' volDiscrepancyMod_RGC: ',volDiscrMod_RGC
write(6,'(a24,1x,es8.1,/)') ' discrepancyPower_RGC: ',volDiscrPow_RGC
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
!--------------------------------------------------------------------------------------------------
! Random seeding parameter
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
write(6,'(a24,1x,i16,/)') ' fixed_seed: ',fixedSeed
if (fixedSeed <= 0_pInt) &
write(6,'(a,/)') ' No fixed Seed: Random is random!'
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
!--------------------------------------------------------------------------------------------------
! openMP parameter
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
!$ write(6,'(a24,1x,i8,/)') ' number of threads: ',DAMASK_NumThreadsInt
added matrix multiplication 3333x33 to math.f90 added some parameters for spectral method to numerics.f90 (tolerance) changed error message concerning spectral method in IO.f90 corrected calculation of stress BC in mpie_spectral.f90
2010-10-13 21:34:44 +05:30
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
!--------------------------------------------------------------------------------------------------
! spectral parameters
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
#ifdef Spectral
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
write(6,'(a24,1x,i8)') ' itmax: ',itmax
write(6,'(a24,1x,i8)') ' itmin: ',itmin
write(6,'(a24,1x,i8)') ' maxCutBack: ',maxCutBack
changed handling of non-converged BVP solution: By default, exit if no solution is found to prevent "user errors" Removed ambiguous "regridMode" keyword which was used to trigger this behavior in favor of "continueCalculation", Set this to 1 to get back old behavior, e.g. report non-converged increments.
2014-03-31 15:34:11 +05:30
write(6,'(a24,1x,i8)') ' continueCalculation: ',continueCalculation
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
write(6,'(a24,1x,L8)') ' memory_efficient: ',memory_efficient
set output order of spectral parameters to more reasonable one
2013-09-17 14:49:16 +05:30
write(6,'(a24,1x,i8)') ' divergence_correction: ',divergence_correction
changed naming convention (keeping backward compatibility in numerics.config): myspectralsolver --> spectral_solver (called "spectralsolver") myfilter --> spectral_filter (called "spectralfilter")
2014-09-04 01:29:47 +05:30
write(6,'(a24,1x,a)') ' spectral filter: ',trim(spectral_filter)
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
if(fftw_timelimit<0.0_pReal) then
write(6,'(a24,1x,L8)') ' fftw_timelimit: ',.false.
else
write(6,'(a24,1x,es8.1)') ' fftw_timelimit: ',fftw_timelimit
endif
write(6,'(a24,1x,a)') ' fftw_plan_mode: ',trim(fftw_plan_mode)
write(6,'(a24,1x,i8)') ' fftw_planner_flag: ',fftw_planner_flag
write(6,'(a24,1x,L8,/)') ' update_gamma: ',update_gamma
set output order of spectral parameters to more reasonable one
2013-09-17 14:49:16 +05:30
write(6,'(a24,1x,es8.1)') ' err_stress_tolAbs: ',err_stress_tolAbs
write(6,'(a24,1x,es8.1)') ' err_stress_tolRel: ',err_stress_tolRel
write(6,'(a24,1x,es8.1)') ' err_div_tolAbs: ',err_div_tolAbs
write(6,'(a24,1x,es8.1)') ' err_div_tolRel: ',err_div_tolRel
new solver is now compiling without a PETSc installation, however only the plain basic solver is available then. also removed reporting of PETSc related variables in the case it is not installed/found
2012-08-29 00:49:47 +05:30
#ifdef PETSc
fixed al and pol solver, now checking for div(p) = curl(f) = 0
2013-08-07 22:50:05 +05:30
write(6,'(a24,1x,es8.1)') ' err_curl_tolAbs: ',err_curl_tolAbs
write(6,'(a24,1x,es8.1)') ' err_curl_tolRel: ',err_curl_tolRel
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
write(6,'(a24,1x,es8.1)') ' polarAlpha: ',polarAlpha
write(6,'(a24,1x,es8.1)') ' polarBeta: ',polarBeta
changed naming convention (keeping backward compatibility in numerics.config): myspectralsolver --> spectral_solver (called "spectralsolver") myfilter --> spectral_filter (called "spectralfilter")
2014-09-04 01:29:47 +05:30
write(6,'(a24,1x,a)') ' spectral solver: ',trim(spectral_solver)
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
write(6,'(a24,1x,a)') ' PETSc_options: ',trim(petsc_options)
new solver is now compiling without a PETSc installation, however only the plain basic solver is available then. also removed reporting of PETSc related variables in the case it is not installed/found
2012-08-29 00:49:47 +05:30
#endif
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
#endif
some polishing concerning openMP initialization number of threads is now written to *.out file
2010-12-02 16:34:29 +05:30
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
!--------------------------------------------------------------------------------------------------
! spectral parameters
#ifdef FEM
write(6,'(a24,1x,i8)') ' itmaxFEM: ',itmaxFEM
write(6,'(a24,1x,i8)') ' itminFEM: ',itminFEM
write(6,'(a24,1x,i8)') ' maxCutBackFEM: ',maxCutBackFEM
write(6,'(a24,1x,i8)') ' integrationOrder: ',integrationOrder
write(6,'(a24,1x,i8)') ' structOrder: ',structOrder
write(6,'(a24,1x,i8)') ' thermalOrder: ',thermalOrder
write(6,'(a24,1x,i8)') ' damageOrder: ',damageOrder
write(6,'(a24,1x,es8.1)') ' err_struct_tolAbs: ',err_struct_tolAbs
write(6,'(a24,1x,es8.1)') ' err_struct_tolRel: ',err_struct_tolRel
write(6,'(a24,1x,es8.1)') ' err_thermal_tol: ',err_thermal_tol
write(6,'(a24,1x,es8.1)') ' err_damage_tol: ',err_damage_tol
introduced non-zero residual damage to prevent stiffness matrix from being ill-conditioned
2014-08-11 22:43:06 +05:30
write(6,'(a24,1x,es8.1)') ' residualStiffness: ',residualStiffness
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
write(6,'(a24,1x,a)') ' PETSc_optionsFEM: ',trim(petsc_optionsFEM)
#endif
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
!--------------------------------------------------------------------------------------------------
! sanity checks
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
if (relevantStrain <= 0.0_pReal) call IO_error(301_pInt,ext_msg='relevantStrain')
if (defgradTolerance <= 0.0_pReal) call IO_error(301_pInt,ext_msg='defgradTolerance')
if (iJacoStiffness < 1_pInt) call IO_error(301_pInt,ext_msg='iJacoStiffness')
if (iJacoLpresiduum < 1_pInt) call IO_error(301_pInt,ext_msg='iJacoLpresiduum')
if (pert_Fg <= 0.0_pReal) call IO_error(301_pInt,ext_msg='pert_Fg')
if (pert_method <= 0_pInt .or. pert_method >= 4_pInt) &
call IO_error(301_pInt,ext_msg='pert_method')
if (nHomog < 1_pInt) call IO_error(301_pInt,ext_msg='nHomog')
if (nMPstate < 1_pInt) call IO_error(301_pInt,ext_msg='nMPstate')
if (nCryst < 1_pInt) call IO_error(301_pInt,ext_msg='nCryst')
if (nState < 1_pInt) call IO_error(301_pInt,ext_msg='nState')
if (nStress < 1_pInt) call IO_error(301_pInt,ext_msg='nStress')
if (subStepMinCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepMinCryst')
if (subStepSizeCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeCryst')
if (stepIncreaseCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='stepIncreaseCryst')
if (subStepMinHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepMinHomog')
if (subStepSizeHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeHomog')
if (stepIncreaseHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='stepIncreaseHomog')
if (rTol_crystalliteState <= 0.0_pReal) call IO_error(301_pInt,ext_msg='rTol_crystalliteState')
if (rTol_crystalliteStress <= 0.0_pReal) call IO_error(301_pInt,ext_msg='rTol_crystalliteStress')
if (aTol_crystalliteStress <= 0.0_pReal) call IO_error(301_pInt,ext_msg='aTol_crystalliteStress')
if (any(numerics_integrator <= 0_pInt) .or. any(numerics_integrator >= 6_pInt)) &
call IO_error(301_pInt,ext_msg='integrator')
forgot to check in; belongs to rev 1762
2012-09-24 21:52:25 +05:30
if (numerics_unitlength <= 0.0_pReal) call IO_error(301_pInt,ext_msg='unitlength')
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
if (absTol_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='absTol_RGC')
if (relTol_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='relTol_RGC')
if (absMax_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='absMax_RGC')
if (relMax_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='relMax_RGC')
if (pPert_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='pPert_RGC')
if (xSmoo_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='xSmoo_RGC')
if (viscPower_RGC < 0.0_pReal) call IO_error(301_pInt,ext_msg='viscPower_RGC')
if (viscModus_RGC < 0.0_pReal) call IO_error(301_pInt,ext_msg='viscModus_RGC')
if (refRelaxRate_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='refRelaxRate_RGC')
if (maxdRelax_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='maxdRelax_RGC')
if (maxVolDiscr_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='maxVolDiscr_RGC')
if (volDiscrMod_RGC < 0.0_pReal) call IO_error(301_pInt,ext_msg='volDiscrMod_RGC')
if (volDiscrPow_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='volDiscrPw_RGC')
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
#ifdef Spectral
corrected error bounds for spectral parameter "maxCutback"
2013-03-28 21:34:47 +05:30
if (itmax <= 1_pInt) call IO_error(301_pInt,ext_msg='itmax')
reverted some changes from previous commit
2014-06-06 14:27:24 +05:30
if (itmin > itmax .or. itmin < 1_pInt) call IO_error(301_pInt,ext_msg='itmin')
changed handling of non-converged BVP solution: By default, exit if no solution is found to prevent "user errors" Removed ambiguous "regridMode" keyword which was used to trigger this behavior in favor of "continueCalculation", Set this to 1 to get back old behavior, e.g. report non-converged increments.
2014-03-31 15:34:11 +05:30
if (continueCalculation /= 0_pInt .and. &
continueCalculation /= 1_pInt) call IO_error(301_pInt,ext_msg='continueCalculation')
divergence_correction for basic solver variants has now 3 possibilities: 0: uncorrected, slope per sidelength (physical dimension) e = res/dim 1: corrected by sidelength, slope per unitlength e = res/1 2: corrected such that distance between FPs e = 1 alway regarding the medium length of x,y,z direction
2013-01-16 16:10:53 +05:30
if (divergence_correction < 0_pInt .or. &
allowed arbitrary grid (formerly know as resolution), i.e. any integer>1 in each dimension is possible. removed square root correction for divergence (doesn't make sense) fixed FFT debug of spectral solver
2013-04-10 15:49:16 +05:30
divergence_correction > 2_pInt) call IO_error(301_pInt,ext_msg='divergence_correction')
corrected error bounds for spectral parameter "maxCutback"
2013-03-28 21:34:47 +05:30
if (maxCutBack < 0_pInt) call IO_error(301_pInt,ext_msg='maxCutBack')
merged code for python and spectral solver interfacing (shared most of it anyway). put functionality for getting header information (dimension, homogenization, resolution) in functions in mesh.f90
2012-04-11 22:58:08 +05:30
if (update_gamma .and. &
.not. memory_efficient) call IO_error(error_ID = 847_pInt)
set output order of spectral parameters to more reasonable one
2013-09-17 14:49:16 +05:30
if (err_stress_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_stress_tolRel')
if (err_stress_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_stress_tolAbs')
if (err_div_tolRel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_div_tolRel')
if (err_div_tolAbs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_div_tolAbs')
new solver is now compiling without a PETSc installation, however only the plain basic solver is available then. also removed reporting of PETSc related variables in the case it is not installed/found
2012-08-29 00:49:47 +05:30
#ifdef PETSc
fixed al and pol solver, now checking for div(p) = curl(f) = 0
2013-08-07 22:50:05 +05:30
if (err_curl_tolRel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_curl_tolRel')
if (err_curl_tolAbs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_curl_tolAbs')
restructured AL solver to resemble polarization scheme and introduced alpha and beta parameters in numerics to determine what kind of solution you want. alpha = beta = 1 results in the AL scheme. alpha = beta = 2 results in the accelerated scheme. safe values are anything in between. changed the solver to use stress calculations on the campatible field which seems to result in faster convergence.
2013-02-28 23:05:02 +05:30
if (polarAlpha <= 0.0_pReal .or. &
polarAlpha > 2.0_pReal) call IO_error(301_pInt,ext_msg='polarAlpha')
fixed al and pol solver, now checking for div(p) = curl(f) = 0
2013-08-07 22:50:05 +05:30
if (polarBeta < 0.0_pReal .or. &
restructured AL solver to resemble polarization scheme and introduced alpha and beta parameters in numerics to determine what kind of solution you want. alpha = beta = 1 results in the AL scheme. alpha = beta = 2 results in the accelerated scheme. safe values are anything in between. changed the solver to use stress calculations on the campatible field which seems to result in faster convergence.
2013-02-28 23:05:02 +05:30
polarBeta > 2.0_pReal) call IO_error(301_pInt,ext_msg='polarBeta')
new solver is now compiling without a PETSc installation, however only the plain basic solver is available then. also removed reporting of PETSc related variables in the case it is not installed/found
2012-08-29 00:49:47 +05:30
#endif
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
#endif
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
#ifdef FEM
if (itmaxFEM <= 1_pInt) call IO_error(301_pInt,ext_msg='itmaxFEM')
if (itminFEM > itmaxFEM .or. &
itminFEM < 0_pInt) call IO_error(301_pInt,ext_msg='itminFEM')
if (maxCutBackFEM < 0_pInt) call IO_error(301_pInt,ext_msg='maxCutBackFEM')
if (err_struct_tolRel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_struct_tolRel')
if (err_struct_tolAbs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_struct_tolAbs')
if (err_thermal_tol <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_thermal_tol')
if (err_damage_tol <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_damage_tol')
introduced non-zero residual damage to prevent stiffness matrix from being ill-conditioned
2014-08-11 22:43:06 +05:30
if (residualStiffness <= 0.0_pReal) call IO_error(301_pInt,ext_msg='residualStiffness')
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
#endif
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
end subroutine numerics_init
added a new module called numerics.f90 which reads in all numerical "parameters" from the file numerics.config (also being added). From now on this file has to be located in the working directory of the FEM-model and has to contain all necessary parameters.
2009-06-15 18:41:21 +05:30
removed (in IO.f90) a dangerous initialization statement. Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4 for more details. Other files are just a little bit polished
2012-03-07 15:37:29 +05:30
end module numerics