509 lines
34 KiB
Fortran
509 lines
34 KiB
Fortran
! Copyright 2011 Max-Planck-Institut für Eisenforschung GmbH
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!
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! This file is part of DAMASK,
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! the Düsseldorf Advanced MAterial Simulation Kit.
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!
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! DAMASK is free software: you can redistribute it and/or modify
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! it under the terms of the GNU General Public License as published by
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! the Free Software Foundation, either version 3 of the License, or
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! (at your option) any later version.
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!
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! DAMASK is distributed in the hope that it will be useful,
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! but WITHOUT ANY WARRANTY; without even the implied warranty of
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! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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! GNU General Public License for more details.
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!
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! You should have received a copy of the GNU General Public License
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! along with DAMASK. If not, see <http://www.gnu.org/licenses/>.
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!
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!--------------------------------------------------------------------------------------------------
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! $Id$
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!--------------------------------------------------------------------------------------------------
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!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief Managing of parameters related to numerics
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!--------------------------------------------------------------------------------------------------
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module numerics
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use prec, only: &
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pInt, &
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pReal
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implicit none
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private
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character(len=64), parameter, private :: &
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numerics_configFile = 'numerics.config' !< name of configuration file
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integer(pInt), protected, public :: &
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iJacoStiffness = 1_pInt, & !< frequency of stiffness update
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iJacoLpresiduum = 1_pInt, & !< frequency of Jacobian update of residuum in Lp
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nHomog = 20_pInt, & !< homogenization loop limit (only for debugging info, loop limit is determined by "subStepMinHomog")
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nMPstate = 10_pInt, & !< materialpoint state loop limit
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nCryst = 20_pInt, & !< crystallite loop limit (only for debugging info, loop limit is determined by "subStepMinCryst")
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nState = 10_pInt, & !< state loop limit
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nStress = 40_pInt, & !< stress loop limit
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pert_method = 1_pInt !< method used in perturbation technique for tangent
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integer(pInt), public :: numerics_integrationMode = 0_pInt !< integrationMode 1 = central solution ; integrationMode 2 = perturbation, Default 0: undefined, is not read from file
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integer(pInt), dimension(2) , protected, public :: &
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numerics_integrator = 1_pInt !< method used for state integration (central & perturbed state), Default 1: fix-point iteration for both states
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real(pReal), protected, public :: &
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relevantStrain = 1.0e-7_pReal, & !< strain increment considered significant (used by crystallite to determine whether strain inc is considered significant)
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defgradTolerance = 1.0e-7_pReal, & !< deviation of deformation gradient that is still allowed (used by CPFEM to determine outdated ffn1)
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pert_Fg = 1.0e-7_pReal, & !< strain perturbation for FEM Jacobi
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subStepMinCryst = 1.0e-3_pReal, & !< minimum (relative) size of sub-step allowed during cutback in crystallite
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subStepMinHomog = 1.0e-3_pReal, & !< minimum (relative) size of sub-step allowed during cutback in homogenization
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subStepSizeCryst = 0.25_pReal, & !< size of first substep when cutback in crystallite
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subStepSizeHomog = 0.25_pReal, & !< size of first substep when cutback in homogenization
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stepIncreaseCryst = 1.5_pReal, & !< increase of next substep size when previous substep converged in crystallite
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stepIncreaseHomog = 1.5_pReal, & !< increase of next substep size when previous substep converged in homogenization
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rTol_crystalliteState = 1.0e-6_pReal, & !< relative tolerance in crystallite state loop
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rTol_crystalliteTemperature= 1.0e-6_pReal, & !< relative tolerance in crystallite temperature loop
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rTol_crystalliteStress = 1.0e-6_pReal, & !< relative tolerance in crystallite stress loop
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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
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numerics_unitlength = 1.0_pReal, & !< determines the physical length of one computational length unit
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absTol_RGC = 1.0e+4_pReal, & !< absolute tolerance of RGC residuum
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relTol_RGC = 1.0e-3_pReal, & !< relative tolerance of RGC residuum
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absMax_RGC = 1.0e+10_pReal, & !< absolute maximum of RGC residuum
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relMax_RGC = 1.0e+2_pReal, & !< relative maximum of RGC residuum
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pPert_RGC = 1.0e-7_pReal, & !< perturbation for computing RGC penalty tangent
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xSmoo_RGC = 1.0e-5_pReal, & !< RGC penalty smoothing parameter (hyperbolic tangent)
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viscPower_RGC = 1.0e+0_pReal, & !< power (sensitivity rate) of numerical viscosity in RGC scheme, Default 1.0e0: Newton viscosity (linear model)
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viscModus_RGC = 0.0e+0_pReal, & !< stress modulus of RGC numerical viscosity, Default 0.0e0: No viscosity is applied
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refRelaxRate_RGC = 1.0e-3_pReal, & !< reference relaxation rate in RGC viscosity
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maxdRelax_RGC = 1.0e+0_pReal, & !< threshold of maximum relaxation vector increment (if exceed this then cutback)
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maxVolDiscr_RGC = 1.0e-5_pReal, & !< threshold of maximum volume discrepancy allowed
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volDiscrMod_RGC = 1.0e+12_pReal, & !< stiffness of RGC volume discrepancy (zero = without volume discrepancy constraint)
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volDiscrPow_RGC = 5.0_pReal !< powerlaw penalty for volume discrepancy
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logical, protected, public :: &
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analyticJaco = .false., & !< use analytic Jacobian or perturbation, Default .false.: calculate Jacobian using perturbations
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numerics_timeSyncing = .false. !< flag indicating if time synchronization in crystallite is used for nonlocal plasticity
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!* Random seeding parameters
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integer(pInt), protected, public :: &
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fixedSeed = 0_pInt !< fixed seeding for pseudo-random number generator, Default 0: use random seed
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!* OpenMP variable
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integer(pInt), protected, public :: &
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DAMASK_NumThreadsInt = 0_pInt !< value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive
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!* spectral parameters:
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#ifdef Spectral
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real(pReal), protected, public :: &
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err_div_tol = 0.1_pReal, & !< Div(P)/avg(P)*meter
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err_stress_tolrel = 0.01_pReal, & !< relative tolerance for fullfillment of stress BC, Default: 0.01 allowing deviation of 1% of maximum stress
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err_stress_tolabs = huge(1.0_pReal), & !< absolute tolerance for fullfillment of stress BC, Default: 0.01 allowing deviation of 1% of maximum stress
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err_f_tol = 1e-6_pReal, &
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err_p_tol = 1e-5_pReal, &
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fftw_timelimit = -1.0_pReal, & !< sets the timelimit of plan creation for FFTW, see manual on www.fftw.org, Default -1.0: disable timelimit
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rotation_tol = 1.0e-12_pReal, & !< tolerance of rotation specified in loadcase, Default 1.0e-12: first guess
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polarAlpha = 1.0_pReal, & !< polarization scheme parameter 0.0 < alpha < 2.0. alpha = 1.0 ==> AL scheme, alpha = 2.0 ==> accelerated scheme
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polarBeta = 1.0_pReal !< polarization scheme parameter 0.0 < beta < 2.0. beta = 1.0 ==> AL scheme, beta = 2.0 ==> accelerated scheme
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character(len=64), private :: &
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fftw_plan_mode = 'FFTW_PATIENT' !< reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag
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character(len=64), protected, public :: &
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myspectralsolver = 'basic' , & !< spectral solution method
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myfilter = 'none' !< spectral filtering method
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character(len=1024), protected, public :: &
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petsc_options = '-snes_type ngmres &
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&-snes_ngmres_anderson '
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integer(pInt), protected, public :: &
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fftw_planner_flag = 32_pInt, & !< conversion of fftw_plan_mode to integer, basically what is usually done in the include file of fftw
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itmax = 20_pInt, & !< maximum number of iterations
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itmin = 2_pInt, & !< minimum number of iterations
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maxCutBack = 3_pInt, & !< max number of cut backs
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regridMode = 0_pInt, & !< 0: no regrid; 1: regrid if DAMASK doesn't converge; 2: regrid if DAMASK or BVP Solver doesn't converge
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divergence_correction = 0_pInt !< correct divergence calculation in fourier space 0: no correction, 1: dimension scaled to 1, 2: dimension scaled to Npoints
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logical, protected , public :: &
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memory_efficient = .true., & !< for fast execution (pre calculation of gamma_hat), Default .true.: do not precalculate
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update_gamma = .false. !< update gamma operator with current stiffness, Default .false.: use initial stiffness
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#endif
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public :: numerics_init
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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief reads in parameters from numerics.config and sets openMP related parameters. Also does
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! a sanity check
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!--------------------------------------------------------------------------------------------------
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subroutine numerics_init
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
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use IO, only: &
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IO_error, &
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IO_open_file_stat, &
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IO_isBlank, &
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IO_stringPos, &
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IO_stringValue, &
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IO_lc, &
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IO_floatValue, &
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IO_intValue, &
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IO_warning, &
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IO_timeStamp
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#ifndef Marc
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!$ use OMP_LIB, only: omp_set_num_threads ! Use the standard conforming module file for omp if not using MSC.Marc
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#endif
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implicit none
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#ifdef Marc
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!$ include "omp_lib.h" ! use the not F90 standard conforming include file to prevent crashes with some versions of MSC.Marc
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#endif
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integer(pInt), parameter :: fileunit = 300_pInt ,&
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maxNchunks = 2_pInt
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!$ integer :: gotDAMASK_NUM_THREADS = 1
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integer(pInt), dimension(1+2*maxNchunks) :: positions
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character(len=64) :: tag
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character(len=1024) :: line
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!$ character(len=6) DAMASK_NumThreadsString ! environment variable DAMASK_NUM_THREADS
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write(6,'(/,a)') ' <<<+- numerics init -+>>>'
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write(6,'(a)') ' $Id$'
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write(6,'(a16,a)') ' Current time : ',IO_timeStamp()
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#include "compilation_info.f90"
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!$ call GET_ENVIRONMENT_VARIABLE(NAME='DAMASK_NUM_THREADS',VALUE=DAMASK_NumThreadsString,STATUS=gotDAMASK_NUM_THREADS) ! get environment variable DAMASK_NUM_THREADS...
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!$ if(gotDAMASK_NUM_THREADS /= 0) &
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!$ call IO_warning(35_pInt,ext_msg='BEGIN:'//DAMASK_NumThreadsString//':END')
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!$ read(DAMASK_NumThreadsString,'(i6)') DAMASK_NumThreadsInt ! ...convert it to integer...
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!$ if (DAMASK_NumThreadsInt < 1_pInt) DAMASK_NumThreadsInt = 1_pInt ! ...ensure that its at least one...
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!$ call omp_set_num_threads(DAMASK_NumThreadsInt) ! ...and use it as number of threads for parallel execution
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!--------------------------------------------------------------------------------------------------
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! try to open the config file
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fileExists: if(IO_open_file_stat(fileunit,numerics_configFile)) then
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write(6,'(a,/)') ' using values from config file'
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!--------------------------------------------------------------------------------------------------
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! read variables from config file and overwrite default parameters if keyword is present
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line = ''
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do
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read(fileunit,'(a1024)',END=100) line
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if (IO_isBlank(line)) cycle ! skip empty lines
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positions = IO_stringPos(line,maxNchunks)
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tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
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select case(tag)
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case ('relevantstrain')
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relevantStrain = IO_floatValue(line,positions,2_pInt)
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case ('defgradtolerance')
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defgradTolerance = IO_floatValue(line,positions,2_pInt)
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case ('ijacostiffness')
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iJacoStiffness = IO_intValue(line,positions,2_pInt)
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case ('ijacolpresiduum')
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iJacoLpresiduum = IO_intValue(line,positions,2_pInt)
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case ('pert_fg')
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pert_Fg = IO_floatValue(line,positions,2_pInt)
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case ('pert_method')
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pert_method = IO_intValue(line,positions,2_pInt)
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case ('nhomog')
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nHomog = IO_intValue(line,positions,2_pInt)
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case ('nmpstate')
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nMPstate = IO_intValue(line,positions,2_pInt)
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case ('ncryst')
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nCryst = IO_intValue(line,positions,2_pInt)
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case ('nstate')
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nState = IO_intValue(line,positions,2_pInt)
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case ('nstress')
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nStress = IO_intValue(line,positions,2_pInt)
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case ('substepmincryst')
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subStepMinCryst = IO_floatValue(line,positions,2_pInt)
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case ('substepsizecryst')
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subStepSizeCryst = IO_floatValue(line,positions,2_pInt)
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case ('stepincreasecryst')
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stepIncreaseCryst = IO_floatValue(line,positions,2_pInt)
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case ('substepminhomog')
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subStepMinHomog = IO_floatValue(line,positions,2_pInt)
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case ('substepsizehomog')
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subStepSizeHomog = IO_floatValue(line,positions,2_pInt)
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case ('stepincreasehomog')
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stepIncreaseHomog = IO_floatValue(line,positions,2_pInt)
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case ('rtol_crystallitestate')
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rTol_crystalliteState = IO_floatValue(line,positions,2_pInt)
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case ('rtol_crystallitetemperature')
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rTol_crystalliteTemperature = IO_floatValue(line,positions,2_pInt)
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case ('rtol_crystallitestress')
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rTol_crystalliteStress = IO_floatValue(line,positions,2_pInt)
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case ('atol_crystallitestress')
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aTol_crystalliteStress = IO_floatValue(line,positions,2_pInt)
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case ('integrator')
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numerics_integrator(1) = IO_intValue(line,positions,2_pInt)
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case ('integratorstiffness')
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numerics_integrator(2) = IO_intValue(line,positions,2_pInt)
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case ('analyticjaco')
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analyticJaco = IO_intValue(line,positions,2_pInt) > 0_pInt
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case ('timesyncing')
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numerics_timeSyncing = IO_intValue(line,positions,2_pInt) > 0_pInt
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case ('unitlength')
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numerics_unitlength = IO_floatValue(line,positions,2_pInt)
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!--------------------------------------------------------------------------------------------------
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! RGC parameters
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case ('atol_rgc')
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absTol_RGC = IO_floatValue(line,positions,2_pInt)
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case ('rtol_rgc')
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relTol_RGC = IO_floatValue(line,positions,2_pInt)
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case ('amax_rgc')
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absMax_RGC = IO_floatValue(line,positions,2_pInt)
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case ('rmax_rgc')
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relMax_RGC = IO_floatValue(line,positions,2_pInt)
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case ('perturbpenalty_rgc')
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pPert_RGC = IO_floatValue(line,positions,2_pInt)
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case ('relevantmismatch_rgc')
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xSmoo_RGC = IO_floatValue(line,positions,2_pInt)
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case ('viscositypower_rgc')
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viscPower_RGC = IO_floatValue(line,positions,2_pInt)
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case ('viscositymodulus_rgc')
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viscModus_RGC = IO_floatValue(line,positions,2_pInt)
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case ('refrelaxationrate_rgc')
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refRelaxRate_RGC = IO_floatValue(line,positions,2_pInt)
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case ('maxrelaxation_rgc')
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maxdRelax_RGC = IO_floatValue(line,positions,2_pInt)
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case ('maxvoldiscrepancy_rgc')
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maxVolDiscr_RGC = IO_floatValue(line,positions,2_pInt)
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case ('voldiscrepancymod_rgc')
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volDiscrMod_RGC = IO_floatValue(line,positions,2_pInt)
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case ('discrepancypower_rgc')
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volDiscrPow_RGC = IO_floatValue(line,positions,2_pInt)
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!--------------------------------------------------------------------------------------------------
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! random seeding parameters
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case ('fixed_seed')
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fixedSeed = IO_intValue(line,positions,2_pInt)
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!--------------------------------------------------------------------------------------------------
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! spectral parameters
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#ifdef Spectral
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case ('err_div_tol')
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err_div_tol = IO_floatValue(line,positions,2_pInt)
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case ('err_stress_tolrel')
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err_stress_tolrel = IO_floatValue(line,positions,2_pInt)
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case ('err_stress_tolabs')
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err_stress_tolabs = IO_floatValue(line,positions,2_pInt)
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case ('itmax')
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itmax = IO_intValue(line,positions,2_pInt)
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case ('itmin')
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itmin = IO_intValue(line,positions,2_pInt)
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case ('maxcutback')
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maxCutBack = IO_intValue(line,positions,2_pInt)
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case ('regridmode')
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regridMode = IO_intValue(line,positions,2_pInt)
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case ('memory_efficient')
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memory_efficient = IO_intValue(line,positions,2_pInt) > 0_pInt
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case ('fftw_timelimit')
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fftw_timelimit = IO_floatValue(line,positions,2_pInt)
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case ('fftw_plan_mode')
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fftw_plan_mode = IO_lc(IO_stringValue(line,positions,2_pInt))
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case ('myfilter')
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myfilter = IO_lc(IO_stringValue(line,positions,2_pInt))
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case ('rotation_tol')
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rotation_tol = IO_floatValue(line,positions,2_pInt)
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case ('divergence_correction')
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divergence_correction = IO_intValue(line,positions,2_pInt)
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case ('update_gamma')
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update_gamma = IO_intValue(line,positions,2_pInt) > 0_pInt
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#ifdef PETSc
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case ('petsc_options')
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petsc_options = trim(line(positions(4):))
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case ('myspectralsolver')
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myspectralsolver = IO_lc(IO_stringValue(line,positions,2_pInt))
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case ('err_f_tol')
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err_f_tol = IO_floatValue(line,positions,2_pInt)
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case ('err_p_tol')
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err_p_tol = IO_floatValue(line,positions,2_pInt)
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case ('polaralpha')
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polarAlpha = IO_floatValue(line,positions,2_pInt)
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case ('polarbeta')
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polarBeta = IO_floatValue(line,positions,2_pInt)
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#endif
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#ifndef PETSc
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case ('myspectralsolver', 'petsc_options','err_f_tol', 'err_p_tol', &
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'polaralpha','polarBeta') ! found PETSc parameter, but compiled without PETSc
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call IO_warning(41_pInt,ext_msg=tag)
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#endif
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#endif
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#ifndef Spectral
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case ('err_div_tol','err_stress_tolrel','err_stress_tolabs',& ! found spectral parameter for FEM build
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'itmax', 'itmin','memory_efficient','fftw_timelimit','fftw_plan_mode','myspectralsolver', &
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'rotation_tol','divergence_correction','update_gamma','petsc_options','myfilter', &
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'err_f_tol', 'err_p_tol', 'maxcutback','polaralpha','polarbeta')
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call IO_warning(40_pInt,ext_msg=tag)
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#endif
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case default ! found unknown keyword
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call IO_error(300_pInt,ext_msg=tag)
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endselect
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enddo
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100 close(fileunit)
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else fileExists
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write(6,'(a,/)') ' using standard values'
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endif fileExists
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#ifdef Spectral
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select case(IO_lc(fftw_plan_mode)) ! setting parameters for the plan creation of FFTW. Basically a translation from fftw3.f
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case('estimate','fftw_estimate') ! ordered from slow execution (but fast plan creation) to fast execution
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fftw_planner_flag = 64_pInt
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case('measure','fftw_measure')
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fftw_planner_flag = 0_pInt
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case('patient','fftw_patient')
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fftw_planner_flag= 32_pInt
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case('exhaustive','fftw_exhaustive')
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fftw_planner_flag = 8_pInt
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case default
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call IO_warning(warning_ID=47_pInt,ext_msg=trim(IO_lc(fftw_plan_mode)))
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fftw_planner_flag = 32_pInt
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end select
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#endif
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numerics_timeSyncing = numerics_timeSyncing .and. all(numerics_integrator==2_pInt) ! timeSyncing only allowed for explicit Euler integrator
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!--------------------------------------------------------------------------------------------------
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! writing parameters to output file
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write(6,'(a24,1x,es8.1)') ' relevantStrain: ',relevantStrain
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write(6,'(a24,1x,es8.1)') ' defgradTolerance: ',defgradTolerance
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write(6,'(a24,1x,i8)') ' iJacoStiffness: ',iJacoStiffness
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|
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_crystalliteTemp: ',rTol_crystalliteTemperature
|
|
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,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
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! RGC parameters
|
|
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
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! Random seeding parameter
|
|
write(6,'(a24,1x,i16,/)') ' fixed_seed: ',fixedSeed
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! openMP parameter
|
|
!$ write(6,'(a24,1x,i8,/)') ' number of threads: ',DAMASK_NumThreadsInt
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! spectral parameters
|
|
#ifdef Spectral
|
|
write(6,'(a24,1x,es8.1)') ' err_div_tol: ',err_div_tol
|
|
write(6,'(a24,1x,es8.1)') ' err_stress_tolrel: ',err_stress_tolrel
|
|
write(6,'(a24,1x,es8.1)') ' err_stress_tolabs: ',err_stress_tolabs
|
|
|
|
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)') ' regridMode: ',regridMode
|
|
write(6,'(a24,1x,L8)') ' memory_efficient: ',memory_efficient
|
|
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,a)') ' myfilter: ',trim(myfilter)
|
|
write(6,'(a24,1x,i8)') ' fftw_planner_flag: ',fftw_planner_flag
|
|
write(6,'(a24,1x,es8.1)') ' rotation_tol: ',rotation_tol
|
|
write(6,'(a24,1x,i8)') ' divergence_correction: ',divergence_correction
|
|
write(6,'(a24,1x,L8,/)') ' update_gamma: ',update_gamma
|
|
#ifdef PETSc
|
|
write(6,'(a24,1x,es8.1)') ' err_f_tol: ',err_f_tol
|
|
write(6,'(a24,1x,es8.1)') ' err_p_tol: ',err_p_tol
|
|
write(6,'(a24,1x,es8.1)') ' polarAlpha: ',polarAlpha
|
|
write(6,'(a24,1x,es8.1)') ' polarBeta: ',polarBeta
|
|
write(6,'(a24,1x,a)') ' myspectralsolver: ',trim(myspectralsolver)
|
|
write(6,'(a24,1x,a)') ' PETSc_options: ',trim(petsc_options)
|
|
#endif
|
|
#endif
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! sanity checks
|
|
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_crystalliteTemperature <= 0.0_pReal) call IO_error(301_pInt,ext_msg='rTol_crystalliteTemperature')
|
|
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')
|
|
if (numerics_unitlength <= 0.0_pReal) call IO_error(301_pInt,ext_msg='unitlength')
|
|
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')
|
|
#ifdef Spectral
|
|
if (err_div_tol <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_div_tol')
|
|
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 (itmax <= 1.0_pInt) call IO_error(301_pInt,ext_msg='itmax')
|
|
if (itmin > itmax .or. itmin < 1_pInt) call IO_error(301_pInt,ext_msg='itmin')
|
|
if (divergence_correction < 0_pInt .or. &
|
|
divergence_correction > 3_pInt) call IO_error(301_pInt,ext_msg='divergence_correction')
|
|
if (maxCutBack <= 1.0_pInt) call IO_error(301_pInt,ext_msg='maxCutBack')
|
|
if (update_gamma .and. &
|
|
.not. memory_efficient) call IO_error(error_ID = 847_pInt)
|
|
#ifdef PETSc
|
|
if (err_f_tol <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_f_tol')
|
|
if (err_p_tol <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_p_tol')
|
|
if (polarAlpha <= 0.0_pReal .or. &
|
|
polarAlpha > 2.0_pReal) call IO_error(301_pInt,ext_msg='polarAlpha')
|
|
if (polarBeta <= 0.0_pReal .or. &
|
|
polarBeta > 2.0_pReal) call IO_error(301_pInt,ext_msg='polarBeta')
|
|
if (err_p_tol <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_p_tol')
|
|
#endif
|
|
#endif
|
|
if (fixedSeed <= 0_pInt) &
|
|
write(6,'(a,/)') ' No fixed Seed: Random is random!'
|
|
|
|
end subroutine numerics_init
|
|
|
|
end module numerics
|