merge declaration and initialization with standard values
corrected handling of $DAMASK_NUM_THREADS
This commit is contained in:
Martin Diehl
parent
eeda357710
commit
9464937db7
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@ -26,64 +26,63 @@ use prec, only: pInt, pReal
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use IO, only: IO_warning
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use IO, only: IO_warning
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implicit none
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implicit none
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character(len=64), parameter :: numerics_configFile = 'numerics.config' ! name of configuration file
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character(len=64), parameter :: numerics_configFile = 'numerics.config' ! name of configuration file
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integer(pInt) :: iJacoStiffness, & ! frequency of stiffness update
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integer(pInt) :: iJacoStiffness = 1_pInt, & ! frequency of stiffness update
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iJacoLpresiduum, & ! frequency of Jacobian update of residuum in Lp
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iJacoLpresiduum = 1_pInt, & ! frequency of Jacobian update of residuum in Lp
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nHomog, & ! homogenization loop limit (only for debugging info, loop limit is determined by "subStepMinHomog")
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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, & ! materialpoint state loop limit
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nMPstate = 10_pInt, & ! materialpoint state loop limit
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nCryst, & ! crystallite loop limit (only for debugging info, loop limit is determined by "subStepMinCryst")
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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, & ! state loop limit
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nState = 10_pInt, & ! state loop limit
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nStress, & ! stress loop limit
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nStress = 40_pInt, & ! stress loop limit
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pert_method, & ! method used in perturbation technique for tangent
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pert_method = 1_pInt, & ! method used in perturbation technique for tangent
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numerics_integrationMode ! integration mode 1 = central solution ; integration mode 2 = perturbation
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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) :: numerics_integrator ! method used for state integration (central & perturbed state)
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integer(pInt), dimension(2) :: 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) :: relevantStrain, & ! strain increment considered significant (used by crystallite to determine whether strain inc is considered significant)
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real(pReal) :: 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, & ! deviation of deformation gradient that is still allowed (used by CPFEM to determine outdated ffn1)
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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, & ! strain perturbation for FEM Jacobi
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pert_Fg = 1.0e-7_pReal, & ! strain perturbation for FEM Jacobi
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subStepMinCryst, & ! minimum (relative) size of sub-step allowed during cutback in crystallite
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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, & ! minimum (relative) size of sub-step allowed during cutback in homogenization
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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, & ! size of first substep when cutback in crystallite
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subStepSizeCryst = 0.25_pReal, & ! size of first substep when cutback in crystallite
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subStepSizeHomog, & ! size of first substep when cutback in homogenization
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subStepSizeHomog = 0.25_pReal, & ! size of first substep when cutback in homogenization
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stepIncreaseCryst, & ! increase of next substep size when previous substep converged in crystallite
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stepIncreaseCryst = 1.5_pReal, & ! increase of next substep size when previous substep converged in crystallite
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stepIncreaseHomog, & ! increase of next substep size when previous substep converged in homogenization
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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, & ! relative tolerance in crystallite state loop
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rTol_crystalliteState = 1.0e-6_pReal, & ! relative tolerance in crystallite state loop
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rTol_crystalliteTemperature, & ! relative tolerance in crystallite temperature loop
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rTol_crystalliteTemperature= 1.0e-6_pReal, & ! relative tolerance in crystallite temperature loop
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rTol_crystalliteStress, & ! relative tolerance in crystallite stress loop
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rTol_crystalliteStress = 1.0e-6_pReal, & ! relative tolerance in crystallite stress loop
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aTol_crystalliteStress, & ! absolute 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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!* RGC parameters: added <<<updated 17.12.2009>>>
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absTol_RGC = 1.0e+4_pReal, & ! absolute tolerance of RGC residuum
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absTol_RGC, & ! absolute tolerance of RGC residuum
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relTol_RGC = 1.0e-3_pReal, & ! relative tolerance of RGC residuum
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relTol_RGC, & ! relative tolerance of RGC residuum
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absMax_RGC = 1.0e+10_pReal, & ! absolute maximum of RGC residuum
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absMax_RGC, & ! absolute maximum of RGC residuum
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relMax_RGC = 1.0e+2_pReal, & ! relative maximum of RGC residuum
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relMax_RGC, & ! 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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pPert_RGC, & ! 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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xSmoo_RGC, & ! 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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viscPower_RGC, & ! power (sensitivity rate) of numerical viscosity in RGC scheme
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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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viscModus_RGC, & ! stress modulus of RGC numerical viscosity
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refRelaxRate_RGC = 1.0e-3_pReal, & ! reference relaxation rate in RGC viscosity
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refRelaxRate_RGC, & ! 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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maxdRelax_RGC, & ! 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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maxVolDiscr_RGC, & ! 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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volDiscrMod_RGC, & ! 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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volDiscrPow_RGC, & ! powerlaw penalty for volume discrepancy
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!* spectral parameters:
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!* spectral parameters:
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err_div_tol, & ! error of divergence in fourier space
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err_div_tol = 1.0e-4_pReal, & ! error of divergence in fourier space, Default 1.0e-4: proposed by Suquet
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err_stress_tolrel, & ! factor to multiply with highest stress to get err_stress_tol
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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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fftw_timelimit, & ! sets the timelimit of plan creation for FFTW, see manual on www.fftw.org
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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 ! tolerance of rotation specified in loadcase
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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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character(len=64) :: fftw_planner_string ! reads the planing-rigor flag, see manual on www.fftw.org
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character(len=64) :: fftw_planner_string = 'FFTW_PATIENT' ! reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patiant planner flag
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integer(pInt) :: fftw_planner_flag ! conversion of fftw_planner_string to integer, basically what is usually done in the include file of fftw
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integer(pInt) :: fftw_planner_flag = 0_pInt ! conversion of fftw_planner_string to integer, basically what is usually done in the include file of fftw
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logical :: memory_efficient,& ! for fast execution (pre calculation of gamma_hat)
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logical :: memory_efficient = .true. ,& ! for fast execution (pre calculation of gamma_hat), Default .true.: do not precalculate
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divergence_correction,& ! correct divergence calculation in fourier space
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divergence_correction = .false. ,& ! correct divergence calculation in fourier space, Default .false.: no correction
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update_gamma,& ! update gamma operator with current stiffness
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update_gamma = .false.,& ! update gamma operator with current stiffness, Default .false.: use initial stiffness
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simplified_algorithm ! use short algorithm without fluctuation field
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simplified_algorithm = .true. ! use short algorithm without fluctuation field, Default .true.: use simplified algorithm
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real(pReal) :: cut_off_value ! percentage of frequencies to cut away
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real(pReal) :: cut_off_value = 0.0_pReal ! percentage of frequencies to cut away, Default 0.0: use all frequencies
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integer(pInt) :: itmax , & ! maximum number of iterations
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integer(pInt) :: itmax = 20_pInt , & ! maximum number of iterations
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!* Random seeding parameters
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!* Random seeding parameters
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fixedSeed ! fixed seeding for pseudo-random number generator
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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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!* OpenMP variable
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integer(pInt) DAMASK_NumThreadsInt ! value stored in environment variable DAMASK_NUM_THREADS
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integer(pInt) :: DAMASK_NumThreadsInt = 0_pInt ! value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive
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CONTAINS
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CONTAINS
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@ -107,91 +106,28 @@ subroutine numerics_init()
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!$ use OMP_LIB ! the openMP function library
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!$ use OMP_LIB ! the openMP function library
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implicit none
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implicit none
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!*** input variables ***!
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!*** output variables ***!
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!*** local variables ***!
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!*** local variables ***!
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integer(pInt), parameter :: fileunit = 300_pInt
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integer(pInt), parameter :: fileunit = 300_pInt
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integer(pInt), parameter :: maxNchunks = 2_pInt
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integer(pInt), parameter :: maxNchunks = 2_pInt
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integer(pInt) :: gotDAMASK_NUM_THREADS = 1_pInt
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integer(pInt) :: gotDAMASK_NUM_THREADS = 1_pInt
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integer(pInt), dimension(1+2*maxNchunks) :: positions
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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=64) :: tag
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character(len=1024) line
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character(len=1024) :: line
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! OpenMP variable
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! OpenMP variable
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!$ character(len=4) DAMASK_NumThreadsString !environment variable DAMASK_NUM_THREADS
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!$ character(len=6) DAMASK_NumThreadsString !environment variable DAMASK_NUM_THREADS
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!$OMP CRITICAL (write2out)
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!$OMP CRITICAL (write2out)
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write(6,*)
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write(6,*)
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write(6,*) '<<<+- numerics init -+>>>'
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write(6,*) '<<<+- numerics init -+>>>'
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write(6,*) '$Id$'
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write(6,*) '$Id$'
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write(6,*)
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write(6,*)
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!$OMP END CRITICAL (write2out)
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!$OMP END CRITICAL (write2out)
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! initialize all parameters with standard values
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relevantStrain = 1.0e-7_pReal
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defgradTolerance = 1.0e-7_pReal
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iJacoStiffness = 1_pInt
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iJacoLpresiduum = 1_pInt
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pert_Fg = 1.0e-7_pReal
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pert_method = 1_pInt
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nHomog = 20_pInt
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subStepMinHomog = 1.0e-3_pReal
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subStepSizeHomog = 0.25_pReal
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stepIncreaseHomog = 1.5_pReal
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nMPstate = 10_pInt
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nCryst = 20_pInt
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subStepMinCryst = 1.0e-3_pReal
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subStepsizeCryst = 0.25_pReal
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stepIncreaseCryst = 1.5_pReal
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nState = 10_pInt
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nStress = 40_pInt
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rTol_crystalliteState = 1.0e-6_pReal
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rTol_crystalliteTemperature = 1.0e-6_pReal
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rTol_crystalliteStress = 1.0e-6_pReal
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aTol_crystalliteStress = 1.0e-8_pReal ! residuum is in Lp (hence strain on the order of 1e-8 here)
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numerics_integrator(1) = 1_pInt ! fix-point iteration
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numerics_integrator(2) = 1_pInt ! fix-point iteration
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!* RGC parameters: added <<<updated 17.12.2009>>> with moderate setting
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absTol_RGC = 1.0e+4_pReal
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relTol_RGC = 1.0e-3_pReal
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absMax_RGC = 1.0e+10_pReal
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relMax_RGC = 1.0e+2_pReal
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pPert_RGC = 1.0e-7_pReal
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xSmoo_RGC = 1.0e-5_pReal
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viscPower_RGC = 1.0e+0_pReal ! Newton viscosity (linear model)
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viscModus_RGC = 0.0e+0_pReal ! No viscosity is applied
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refRelaxRate_RGC = 1.0e-3_pReal
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maxdRelax_RGC = 1.0e+0_pReal
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maxVolDiscr_RGC = 1.0e-5_pReal ! tolerance for volume discrepancy allowed
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volDiscrMod_RGC = 1.0e+12_pReal
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volDiscrPow_RGC = 5.0_pReal
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!* spectral parameters:
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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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err_div_tol = 1.0e-4_pReal ! 1.0e-4 proposed by Suquet
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err_stress_tolrel = 0.01_pReal ! relative tolerance for fullfillment of stress BC (1% of maximum stress)
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itmax = 20_pInt ! Maximum iteration number
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memory_efficient = .true. ! Precalculate Gamma-operator (81 double per point)
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fftw_timelimit = -1.0_pReal ! no timelimit of plan creation for FFTW
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fftw_planner_string ='FFTW_PATIENT'
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rotation_tol = 1.0e-12_pReal
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divergence_correction = .true. ! correct divergence by empirical factor
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simplified_algorithm = .true. ! use algorithm without fluctuation field
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update_gamma = .false. ! do not update gamma operator with current stiffness
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cut_off_value = 0.0_pReal ! use all frequencies
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!* Random seeding parameters
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fixedSeed = 0_pInt
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!* determin number of threads from environment variable DAMASK_NUM_THREADS
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DAMASK_NumThreadsInt = 0_pInt
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!$ call GET_ENVIRONMENT_VARIABLE('DAMASK_NUM_THREADS',DAMASK_NumThreadsString,4_pInt,gotDAMASK_NUM_THREADS) ! get environment variable DAMASK_NUM_THREADS...
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!$ if(gotDAMASK_NUM_THREADS /= 0_pInt) call IO_warning(47,ext_msg=DAMASK_NumThreadsString)
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!$ if(gotDAMASK_NUM_THREADS /= 0_pInt) call IO_warning(47,ext_msg=DAMASK_NumThreadsString)
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!$ read(DAMASK_NumThreadsString,'(i4)') DAMASK_NumThreadsInt ! ...convert it to integer...
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!$ read(DAMASK_NumThreadsString,'(i6)') DAMASK_NumThreadsInt ! ...convert it to integer...
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!$ if (DAMASK_NumThreadsInt < 1) DAMASK_NumThreadsInt = 1 ! ...ensure that its at least one...
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!$ if (DAMASK_NumThreadsInt < 1) DAMASK_NumThreadsInt = 1 ! ...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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!$ call omp_set_num_threads(DAMASK_NumThreadsInt) ! ...and use it as number of threads for parallel execution
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