196 lines
8.5 KiB
Fortran
196 lines
8.5 KiB
Fortran
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!##############################################################
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MODULE numerics
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!##############################################################
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use prec, only: pInt, pReal
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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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integer(pInt) iJacoStiffness, & ! frequency of stiffness update
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iJacoLpresiduum, & ! frequency of Jacobian update of residuum in Lp
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nHomog, & ! homogenization loop limit
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nCryst, & ! crystallite loop limit (only for debugging info, real loop limit is "subStepMin")
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nState, & ! state loop limit
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nStress, & ! stress loop limit
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NRiterMax ! maximum number of GIA iteration
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real(pReal) relevantStrain, & ! strain increment considered significant
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pert_Fg, & ! strain perturbation for FEM Jacobi
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subStepMin, & ! minimum (relative) size of sub-step allowed during cutback in crystallite
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rTol_crystalliteState, & ! relative tolerance in crystallite state loop
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rTol_crystalliteStress, & ! relative tolerance in crystallite stress loop
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aTol_crystalliteStress, & ! absolute tolerance in crystallite stress loop
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resToler, & ! relative tolerance of residual in GIA iteration
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resAbsol, & ! absolute tolerance of residual in GIA iteration (corresponds to ~1 Pa)
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resBound ! relative maximum value (upper bound) for GIA residual
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CONTAINS
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!*******************************************
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! initialization subroutine
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!*******************************************
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subroutine numerics_init()
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!*** variables and functions from other modules ***!
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use prec, only: pInt, &
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pReal
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use IO, only: IO_error, &
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IO_open_file, &
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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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implicit none
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!*** input variables ***!
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!*** output variables ***!
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!*** local variables ***!
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integer(pInt), parameter :: fileunit = 300
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integer(pInt), parameter :: maxNchunks = 2
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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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!*** global variables ***!
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! relevantStrain
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! iJacoStiffness
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! iJacoLpresiduum
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! pert_Fg
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! nHomog
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! nCryst
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! nState
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! nStress
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! subStepMin
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! rTol_crystalliteState
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! rTol_crystalliteStress
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! aTol_crystalliteStress
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! resToler
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! resAbsol
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! resBound
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! NRiterMax
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write(6,*)
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write(6,*) '<<<+- numerics init -+>>>'
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write(6,*)
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! initialize all parameters with standard values
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relevantStrain = 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-6_pReal
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nHomog = 10_pInt
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nCryst = 20_pInt
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nState = 10_pInt
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nStress = 40_pInt
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subStepMin = 1.0e-3_pReal
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rTol_crystalliteState = 1.0e-6_pReal
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rTol_crystalliteStress = 1.0e-6_pReal
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aTol_crystalliteStress = 1.0e-8_pReal
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resToler = 1.0e-4_pReal
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resAbsol = 1.0e+2_pReal
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resBound = 1.0e+1_pReal
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NRiterMax = 24_pInt
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! try to open the config file
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if(IO_open_file(fileunit,numerics_configFile)) then
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write(6,*) ' ... using values from config file'
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write(6,*)
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line = ''
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! read variables from config file and overwrite parameters
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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)) ! 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)
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case ('ijacostiffness')
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iJacoStiffness = IO_intValue(line,positions,2)
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case ('ijacolpresiduum')
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iJacoLpresiduum = IO_intValue(line,positions,2)
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case ('pert_fg')
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pert_Fg = IO_floatValue(line,positions,2)
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case ('nhomog')
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nHomog = IO_intValue(line,positions,2)
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case ('ncryst')
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nCryst = IO_intValue(line,positions,2)
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case ('nstate')
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nState = IO_intValue(line,positions,2)
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case ('nstress')
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nStress = IO_intValue(line,positions,2)
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case ('substepmin')
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subStepMin = IO_floatValue(line,positions,2)
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case ('rtol_crystallitestate')
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rTol_crystalliteState = IO_floatValue(line,positions,2)
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case ('rtol_crystallitestress')
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rTol_crystalliteStress = IO_floatValue(line,positions,2)
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case ('atol_crystallitestress')
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aTol_crystalliteStress = IO_floatValue(line,positions,2)
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case ('restoler')
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resToler = IO_floatValue(line,positions,2)
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case ('resabsol')
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resAbsol = IO_floatValue(line,positions,2)
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case ('resbound')
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resBound = IO_floatValue(line,positions,2)
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case ('nritermax')
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NRiterMax = IO_intValue(line,positions,2)
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endselect
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enddo
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100 close(fileunit)
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! no config file, so we use standard values
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else
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write(6,*) ' ... using standard values'
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write(6,*)
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endif
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! writing parameters to output file
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write(6,'(a24,x,e8.1)') 'relevantStrain: ',relevantStrain
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write(6,'(a24,x,i8)') 'iJacoStiffness: ',iJacoStiffness
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write(6,'(a24,x,i8)') 'iJacoLpresiduum: ',iJacoLpresiduum
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write(6,'(a24,x,e8.1)') 'pert_Fg: ',pert_Fg
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write(6,'(a24,x,i8)') 'nHomog: ',nHomog
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write(6,'(a24,x,i8)') 'nCryst: ',nCryst
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write(6,'(a24,x,i8)') 'nState: ',nState
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write(6,'(a24,x,i8)') 'nStress: ',nStress
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write(6,'(a24,x,e8.1)') 'subStepMin: ',subStepMin
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write(6,'(a24,x,e8.1)') 'rTol_crystalliteState: ',rTol_crystalliteState
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write(6,'(a24,x,e8.1)') 'rTol_crystalliteStress: ',rTol_crystalliteStress
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write(6,'(a24,x,e8.1)') 'aTol_crystalliteStress: ',aTol_crystalliteStress
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write(6,'(a24,x,e8.1)') 'resToler: ',resToler
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write(6,'(a24,x,e8.1)') 'resAbsol: ',resAbsol
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write(6,'(a24,x,e8.1)') 'resBound: ',resBound
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write(6,'(a24,x,i8)') 'NRiterMax: ',NRiterMax
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write(6,*)
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! sanity check
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if (relevantStrain <= 0.0_pReal) call IO_error(260)
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if (iJacoStiffness < 1_pInt) call IO_error(261)
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if (iJacoLpresiduum < 1_pInt) call IO_error(262)
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if (pert_Fg <= 0.0_pReal) call IO_error(263)
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if (nHomog < 1_pInt) call IO_error(264)
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if (nCryst < 1_pInt) call IO_error(265)
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if (nState < 1_pInt) call IO_error(266)
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if (nStress < 1_pInt) call IO_error(267)
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if (subStepMin <= 0.0_pReal) call IO_error(268)
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if (rTol_crystalliteState <= 0.0_pReal) call IO_error(269)
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if (rTol_crystalliteStress <= 0.0_pReal) call IO_error(270)
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if (aTol_crystalliteStress <= 0.0_pReal) call IO_error(271)
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if (resToler <= 0.0_pReal) call IO_error(272)
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if (resAbsol <= 0.0_pReal) call IO_error(273)
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if (resBound <= 0.0_pReal) call IO_error(274)
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if (NRiterMax < 1_pInt) call IO_error(275)
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endsubroutine
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END MODULE numerics
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