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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
simplified multi processor (MPI) reporting
2014-10-10 18:38:34 +05:30
#ifdef PETSc
updated petsc
2015-03-18 22:48:43 +05:30
#include <petsc-finclude/petsc.h90>
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
#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
simplified multi processor (MPI) reporting
2014-10-10 18:38:34 +05:30
fixedSeed = 0_pInt, & !< fixed seeding for pseudo-random number generator, Default 0: use random seed
worldrank = 0_pInt, & !< MPI worldrank (/=0 for MPI simulations only)
worldsize = 0_pInt !< MPI worldsize (/=0 for MPI simulations only)
fixed type-casting problems (mainly with Lib_VTK_IO)
2013-09-26 22:51:46 +05:30
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
residualStiffness is not just an FEM parameter
2014-12-02 22:47:35 +05:30
charLength = 1.0_pReal, & !< characteristic length scale for gradient problems
residualStiffness = 1.0e-6_pReal !< non-zero residual damage
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
logical, protected, public :: &
analytic jacobian default for all solvers
2015-01-29 19:29:49 +05:30
analyticJaco = .true., & !< use analytic Jacobian or perturbation, Default for Spectral solver .true.:
further improvements on implementing the plain mode
2013-04-16 22:37:27 +05:30
usePingPong = .true., &
made analytic tangent default for spectral solver removed possibility to compile without PETSc (a lot of effort for little/no use)
2014-10-01 17:59:12 +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 :: &
dropped non petsc basic spectral solver
2015-03-25 21:38:41 +05:30
spectral_solver = 'basicpetsc' , & !< spectral solution method
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_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
changed some default parameters for FEM
2014-11-21 19:50:54 +05:30
err_struct_tolRel = 1.0e-4_pReal, & !< relative tolerance for equilibrium
residualStiffness is not just an FEM parameter
2014-12-02 22:47:35 +05:30
err_thermal_tol = 1.0e-1_pReal, &
cleaned up FEM examples
2014-12-10 00:29:37 +05:30
err_damage_tol = 1.0e-2_pReal, &
adaptive penalty to bound Cv in (0,1)
2015-01-17 00:01:14 +05:30
err_vacancydiffusion_tol = 1.0e-8_pReal, &
vacancyBoundPenalty = 1.0e+4_pReal !< penalty to enforce 0 < Cv < 1
increased size of petsc_options string
2014-10-21 21:55:53 +05:30
character(len=4096), protected, public :: &
numerics with respect to vacancy diffusion.
2014-12-08 21:07:44 +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 25 &
&-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 &
cleaned up FEM examples
2014-12-10 00:29:37 +05:30
&-damage_snes_type newtonls &
numerics with respect to vacancy diffusion.
2014-12-08 21:07:44 +05:30
&-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 &
&-thermal_snes_atol 1e-1 &
&-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 &
updated vacancy-damage model
2015-01-16 22:34:01 +05:30
&-vacancy_snes_type newtonls &
&-vacancy_snes_linesearch_type cp &
&-vacancy_ksp_type fgmres &
&-vacancy_snes_atol 1e-9 &
&-vacancy_pc_type ml &
&-vacancy_mg_levels_ksp_type chebyshev &
&-vacancy_mg_levels_ksp_chebyshev_estimate_eigenvalues 0,0.1,0,1.1 &
&-vacancy_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 :: &
switched to smoother traction separation law for better convergence. anisotropic brittle now working. lowered default max iterations for FEM
2014-11-01 23:21:35 +05:30
itmaxFEM = 25_pInt, & !< maximum number of iterations
changed some default parameters for FEM
2014-11-21 19:50:54 +05:30
itminFEM = 1_pInt, & !< minimum number of iterations
residualStiffness is not just an FEM parameter
2014-12-02 22:47:35 +05:30
stagItMax = 10_pInt, & !< max number of field level staggered iterations
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
maxCutBackFEM = 3_pInt, & !< max number of cut backs
nicer FEM parameters
2014-11-03 16:06:07 +05:30
integrationOrder = 2_pInt, &
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
structOrder = 2_pInt, &
thermalOrder = 2_pInt, &
FEM solver for vacancy diffusion
2014-11-08 02:10:54 +05:30
damageOrder = 2_pInt, &
vacancyDiffusionOrder = 2_pInt
BBar stabilisation now optional (default is off)
2014-12-08 21:57:23 +05:30
logical, protected, public :: &
BBarStabilisation = .false.
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
#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
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
made analytic tangent default for spectral solver removed possibility to compile without PETSc (a lot of effort for little/no use)
2014-10-01 17:59:12 +05:30
#else
implicit none
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
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
simplified multi processor (MPI) reporting
2014-10-10 18:38:34 +05:30
#ifdef PETSc
only output from the root processor for parallel runs
2014-10-10 01:53:06 +05:30
call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,ierr);CHKERRQ(ierr)
call MPI_Comm_size(PETSC_COMM_WORLD,worldsize,ierr);CHKERRQ(ierr)
simplified multi processor (MPI) reporting
2014-10-10 18:38:34 +05:30
#endif
mainProcess: if (worldrank == 0) then
write(6,'(/,a)') ' <<<+- numerics init -+>>>'
write(6,'(a)') ' $Id$'
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"
simplified multi processor (MPI) reporting
2014-10-10 18:38:34 +05:30
endif mainProcess
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
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
simplified multi processor (MPI) reporting
2014-10-10 18:38:34 +05:30
mainProcess2: if (worldrank == 0) then
write(6,'(a,/)') ' using values from config file'
flush(6)
endif mainProcess2
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)
residualStiffness is not just an FEM parameter
2014-12-02 22:47:35 +05:30
case ('residualstiffness')
residualStiffness = IO_floatValue(line,positions,2_pInt)
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
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
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)
made analytic tangent default for spectral solver removed possibility to compile without PETSc (a lot of effort for little/no use)
2014-10-01 17:59:12 +05:30
#else
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)
numerics with respect to vacancy diffusion.
2014-12-08 21:07:44 +05:30
case ('err_vacancydiffusion_tol')
err_vacancyDiffusion_tol = IO_floatValue(line,positions,2_pInt)
adaptive penalty to bound Cv in (0,1)
2015-01-17 00:01:14 +05:30
case ('vacancyboundpenalty')
vacancyBoundPenalty = 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)
residualStiffness is not just an FEM parameter
2014-12-02 22:47:35 +05:30
case ('maxstaggerediter')
stagItMax = IO_intValue(line,positions,2_pInt)
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
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)
FEM solver for vacancy diffusion
2014-11-08 02:10:54 +05:30
case ('vacancydiffusionorder')
vacancyDiffusionOrder = IO_intValue(line,positions,2_pInt)
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
case ('petsc_optionsfem')
petsc_optionsFEM = trim(line(positions(4):))
BBar stabilisation now optional (default is off)
2014-12-08 21:57:23 +05:30
case ('bbarstabilisation')
BBarStabilisation = IO_intValue(line,positions,2_pInt) > 0_pInt
made analytic tangent default for spectral solver removed possibility to compile without PETSc (a lot of effort for little/no use)
2014-10-01 17:59:12 +05:30
#else
numerics with respect to vacancy diffusion.
2014-12-08 21:07:44 +05:30
case ('err_struct_tolabs','err_struct_tolrel','err_thermal_tol','err_damage_tol','err_vacancydiffusion_tol',& ! found FEM parameter for spectral/Abaqus/Marc build
adaptive penalty to bound Cv in (0,1)
2015-01-17 00:01:14 +05:30
'vacancyboundpenalty','itmaxfem', 'itminfem','maxcutbackfem','maxstaggerediter','integrationorder',&
BBar stabilisation now optional (default is off)
2014-12-08 21:57:23 +05:30
'structorder','thermalorder', 'damageorder','petsc_optionsfem','bbarstabilisation')
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
only output from the root processor for parallel runs
2014-10-10 01:53:06 +05:30
#ifdef FEM
if (worldrank == 0) then
#endif
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
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)
only output from the root processor for parallel runs
2014-10-10 01:53:06 +05:30
#ifdef FEM
endif
#endif
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
simplified multi processor (MPI) reporting
2014-10-10 18:38:34 +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
simplified multi processor (MPI) reporting
2014-10-10 18:38:34 +05:30
mainProcess3: if (worldrank == 0) then
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
write(6,'(a24,1x,L8)') ' use ping pong scheme: ',usepingpong
write(6,'(a24,1x,es8.1,/)')' unitlength: ',numerics_unitlength
moved "Random is random" to output of random seed, cleaned up a little
2013-03-28 15:32:11 +05:30
simplified multi processor (MPI) reporting
2014-10-10 18:38:34 +05:30
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
simplified multi processor (MPI) reporting
2014-10-10 18:38:34 +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
nicer FEM parameters
2014-11-03 16:06:07 +05:30
write(6,'(a24,1x,i16,/)') ' fixed_seed: ',fixedSeed
simplified multi processor (MPI) reporting
2014-10-10 18:38:34 +05:30
if (fixedSeed <= 0_pInt) &
write(6,'(a,/)') ' No fixed Seed: Random is random!'
nicer FEM parameters
2014-11-03 16:06:07 +05:30
!--------------------------------------------------------------------------------------------------
! gradient parameter
write(6,'(a24,1x,es8.1)') ' charLength: ',charLength
residualStiffness is not just an FEM parameter
2014-12-02 22:47:35 +05:30
write(6,'(a24,1x,es8.1)') ' residualStiffness: ',residualStiffness
nicer FEM parameters
2014-11-03 16:06:07 +05:30
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
simplified multi processor (MPI) reporting
2014-10-10 18:38:34 +05:30
write(6,'(a24,1x,i8)') ' itmax: ',itmax
write(6,'(a24,1x,i8)') ' itmin: ',itmin
write(6,'(a24,1x,i8)') ' maxCutBack: ',maxCutBack
write(6,'(a24,1x,i8)') ' continueCalculation: ',continueCalculation
write(6,'(a24,1x,L8)') ' memory_efficient: ',memory_efficient
write(6,'(a24,1x,i8)') ' divergence_correction: ',divergence_correction
write(6,'(a24,1x,a)') ' spectral filter: ',trim(spectral_filter)
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
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
write(6,'(a24,1x,es8.1)') ' err_curl_tolAbs: ',err_curl_tolAbs
write(6,'(a24,1x,es8.1)') ' err_curl_tolRel: ',err_curl_tolRel
write(6,'(a24,1x,es8.1)') ' polarAlpha: ',polarAlpha
write(6,'(a24,1x,es8.1)') ' polarBeta: ',polarBeta
write(6,'(a24,1x,a)') ' spectral solver: ',trim(spectral_solver)
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
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
simplified multi processor (MPI) reporting
2014-10-10 18:38:34 +05:30
write(6,'(a24,1x,i8)') ' itmaxFEM: ',itmaxFEM
write(6,'(a24,1x,i8)') ' itminFEM: ',itminFEM
write(6,'(a24,1x,i8)') ' maxCutBackFEM: ',maxCutBackFEM
residualStiffness is not just an FEM parameter
2014-12-02 22:47:35 +05:30
write(6,'(a24,1x,i8)') ' maxStaggeredIter: ',stagItMax
simplified multi processor (MPI) reporting
2014-10-10 18:38:34 +05:30
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
FEM solver for vacancy diffusion
2014-11-08 02:10:54 +05:30
write(6,'(a24,1x,i8)') ' vacancyDiffusionOrder: ',vacancyDiffusionOrder
simplified multi processor (MPI) reporting
2014-10-10 18:38:34 +05:30
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
BBar stabilisation now optional (default is off)
2014-12-08 21:57:23 +05:30
write(6,'(a24,1x,es8.1)') ' err_vacancyDiff_tol: ',err_vacancyDiffusion_tol
adaptive penalty to bound Cv in (0,1)
2015-01-17 00:01:14 +05:30
write(6,'(a24,1x,es8.1)') ' vacancyBoundPenalty: ',vacancyBoundPenalty
simplified multi processor (MPI) reporting
2014-10-10 18:38:34 +05:30
write(6,'(a24,1x,a)') ' PETSc_optionsFEM: ',trim(petsc_optionsFEM)
BBar stabilisation now optional (default is off)
2014-12-08 21:57:23 +05:30
write(6,'(a24,1x,L8)') ' B-Bar stabilisation: ',BBarStabilisation
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
#endif
simplified multi processor (MPI) reporting
2014-10-10 18:38:34 +05:30
endif mainProcess3
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
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')
residualStiffness is not just an FEM parameter
2014-12-02 22:47:35 +05:30
if (residualStiffness <= 0.0_pReal) call IO_error(301_pInt,ext_msg='residualStiffness')
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')
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
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')
residualStiffness is not just an FEM parameter
2014-12-02 22:47:35 +05:30
if (stagItMax < 0_pInt) call IO_error(301_pInt,ext_msg='maxStaggeredIter')
DAMASK (except nonlocal) now sees and interacts with FEM solver
2014-06-06 06:08:29 +05:30
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')
numerics with respect to vacancy diffusion.
2014-12-08 21:07:44 +05:30
if (err_vacancyDiffusion_tol <= 0.0_pReal)call IO_error(301_pInt,ext_msg='err_vacancydiffusion_tol')
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