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DAMASK_EICMD/code/numerics.f90

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!* $Id$
!##############################################################
MODULE numerics
!##############################################################
use prec, only: pInt, pReal
implicit none
character(len=64), parameter :: numerics_configFile = 'numerics.config' ! name of configuration file
integer(pInt) iJacoStiffness, & ! frequency of stiffness update
iJacoLpresiduum, & ! frequency of Jacobian update of residuum in Lp
nHomog, & ! homogenization loop limit
nMPstate, & ! materialpoint state loop limit
nCryst, & ! crystallite loop limit (only for debugging info, real loop limit is "subStepMin")
nState, & ! state loop limit
nStress ! stress loop limit
real(pReal) relevantStrain, & ! strain increment considered significant
pert_Fg, & ! strain perturbation for FEM Jacobi
subStepMin, & ! minimum (relative) size of sub-step allowed during cutback in crystallite
rTol_crystalliteState, & ! relative tolerance in crystallite state loop
rTol_crystalliteTemperature, & ! relative tolerance in crystallite temperature loop
rTol_crystalliteStress, & ! relative tolerance in crystallite stress loop
aTol_crystalliteStress, & ! absolute tolerance in crystallite stress loop
!* RGC parameters: added <<<updated 31.07.2009>>>
absTol_RGC, & ! absolute tolerance of RGC residuum
relTol_RGC, & ! relative tolerance of RGC residuum
absMax_RGC, & ! absolute maximum of RGC residuum
relMax_RGC, & ! relative maximum of RGC residuum
pPert_RGC, & ! perturbation for computing RGC penalty tangent
xSmoo_RGC ! RGC penalty smoothing parameter (hyperbolic tangent)
!* Random seeding parameters: added <<<updated 27.08.2009>>>
integer(pInt) fixedSeed ! fixed seeding for pseudo-random number generator
CONTAINS
!*******************************************
! initialization subroutine
!*******************************************
subroutine numerics_init()
!*** variables and functions from other modules ***!
use prec, only: pInt, &
pReal
use IO, only: IO_error, &
IO_open_file, &
IO_isBlank, &
IO_stringPos, &
IO_stringValue, &
IO_lc, &
IO_floatValue, &
IO_intValue
implicit none
!*** input variables ***!
!*** output variables ***!
!*** local variables ***!
integer(pInt), parameter :: fileunit = 300
integer(pInt), parameter :: maxNchunks = 2
integer(pInt), dimension(1+2*maxNchunks) :: positions
character(len=64) tag
character(len=1024) line
write(6,*)
write(6,*) '<<<+- numerics init -+>>>'
write(6,*) '$Id$'
write(6,*)
! initialize all parameters with standard values
relevantStrain = 1.0e-7_pReal
iJacoStiffness = 1_pInt
iJacoLpresiduum = 1_pInt
pert_Fg = 1.0e-6_pReal
nHomog = 20_pInt
nMPstate = 10_pInt
nCryst = 20_pInt
nState = 10_pInt
nStress = 40_pInt
subStepMin = 1.0e-3_pReal
rTol_crystalliteState = 1.0e-6_pReal
rTol_crystalliteTemperature = 1.0e-6_pReal
rTol_crystalliteStress = 1.0e-6_pReal
aTol_crystalliteStress = 1.0e-8_pReal ! residuum is in Lp (hence strain on the order of 1e-8 here)
!* RGC parameters: added <<<updated 31.07.2009>>>
absTol_RGC = 1.0e+3
relTol_RGC = 1.0e-3
absMax_RGC = 1.0e+9
relMax_RGC = 1.0e+2
pPert_RGC = 1.0e-8
xSmoo_RGC = 1.0e-5
!* Random seeding parameters: added <<<updated 27.08.2009>>>
fixedSeed = 0_pInt
! try to open the config file
if(IO_open_file(fileunit,numerics_configFile)) then
write(6,*) ' ... using values from config file'
write(6,*)
line = ''
! read variables from config file and overwrite parameters
do
read(fileunit,'(a1024)',END=100) line
if (IO_isBlank(line)) cycle ! skip empty lines
positions = IO_stringPos(line,maxNchunks)
tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key
select case(tag)
case ('relevantstrain')
relevantStrain = IO_floatValue(line,positions,2)
case ('ijacostiffness')
iJacoStiffness = IO_intValue(line,positions,2)
case ('ijacolpresiduum')
iJacoLpresiduum = IO_intValue(line,positions,2)
case ('pert_fg')
pert_Fg = IO_floatValue(line,positions,2)
case ('nhomog')
nHomog = IO_intValue(line,positions,2)
case ('nmpstate')
nMPstate = IO_intValue(line,positions,2)
case ('ncryst')
nCryst = IO_intValue(line,positions,2)
case ('nstate')
nState = IO_intValue(line,positions,2)
case ('nstress')
nStress = IO_intValue(line,positions,2)
case ('substepmin')
subStepMin = IO_floatValue(line,positions,2)
case ('rtol_crystallitestate')
rTol_crystalliteState = IO_floatValue(line,positions,2)
case ('rtol_crystallitetemperature')
rTol_crystalliteTemperature = IO_floatValue(line,positions,2)
case ('rtol_crystallitestress')
rTol_crystalliteStress = IO_floatValue(line,positions,2)
case ('atol_crystallitestress')
aTol_crystalliteStress = IO_floatValue(line,positions,2)
!* RGC parameters: added <<<updated 31.07.2009>>>
case ('atol_rgc')
absTol_RGC = IO_floatValue(line,positions,2)
case ('rtol_rgc')
relTol_RGC = IO_floatValue(line,positions,2)
case ('amax_rgc')
absMax_RGC = IO_floatValue(line,positions,2)
case ('rmax_rgc')
relMax_RGC = IO_floatValue(line,positions,2)
case ('perturbpenalty_rgc')
pPert_RGC = IO_floatValue(line,positions,2)
case ('relevantmismatch_rgc')
xSmoo_RGC = IO_floatValue(line,positions,2)
!* Random seeding parameters: added <<<updated 27.08.2009>>>
case ('fixed_seed')
fixedSeed = IO_floatValue(line,positions,2)
endselect
enddo
100 close(fileunit)
! no config file, so we use standard values
else
write(6,*) ' ... using standard values'
write(6,*)
endif
! writing parameters to output file
write(6,'(a24,x,e8.1)') 'relevantStrain: ',relevantStrain
write(6,'(a24,x,i8)') 'iJacoStiffness: ',iJacoStiffness
write(6,'(a24,x,i8)') 'iJacoLpresiduum: ',iJacoLpresiduum
write(6,'(a24,x,e8.1)') 'pert_Fg: ',pert_Fg
write(6,'(a24,x,i8)') 'nHomog: ',nHomog
write(6,'(a24,x,i8)') 'nMPstate: ',nMPstate
write(6,'(a24,x,i8)') 'nCryst: ',nCryst
write(6,'(a24,x,i8)') 'nState: ',nState
write(6,'(a24,x,i8)') 'nStress: ',nStress
write(6,'(a24,x,e8.1)') 'subStepMin: ',subStepMin
write(6,'(a24,x,e8.1)') 'rTol_crystalliteState: ',rTol_crystalliteState
write(6,'(a24,x,e8.1)') 'rTol_crystalliteTemp: ',rTol_crystalliteTemperature
write(6,'(a24,x,e8.1)') 'rTol_crystalliteStress: ',rTol_crystalliteStress
write(6,'(a24,x,e8.1)') 'aTol_crystalliteStress: ',aTol_crystalliteStress
!* RGC parameters: added <<<updated 31.07.2009>>>
write(6,'(a24,x,e8.1)') 'aTol_RGC: ',absTol_RGC
write(6,'(a24,x,e8.1)') 'rTol_RGC: ',relTol_RGC
write(6,'(a24,x,e8.1)') 'aMax_RGC: ',absMax_RGC
write(6,'(a24,x,e8.1)') 'rMax_RGC: ',relMax_RGC
write(6,'(a24,x,e8.1)') 'perturbPenalty_RGC: ',pPert_RGC
write(6,'(a24,x,e8.1)') 'relevantMismatch_RGC: ',xSmoo_RGC
!* Random seeding parameters: added <<<updated 27.08.2009>>>
write(6,'(a24,x,i8)') 'fixed_seed: ',fixedSeed
write(6,*)
! sanity check
if (relevantStrain <= 0.0_pReal) call IO_error(260)
if (iJacoStiffness < 1_pInt) call IO_error(261)
if (iJacoLpresiduum < 1_pInt) call IO_error(262)
if (pert_Fg <= 0.0_pReal) call IO_error(263)
if (nHomog < 1_pInt) call IO_error(264)
if (nMPstate < 1_pInt) call IO_error(279) !! missing in IO !!
if (nCryst < 1_pInt) call IO_error(265)
if (nState < 1_pInt) call IO_error(266)
if (nStress < 1_pInt) call IO_error(267)
if (subStepMin <= 0.0_pReal) call IO_error(268)
if (rTol_crystalliteState <= 0.0_pReal) call IO_error(269)
if (rTol_crystalliteTemperature <= 0.0_pReal) call IO_error(276) !! oops !!
if (rTol_crystalliteStress <= 0.0_pReal) call IO_error(270)
if (aTol_crystalliteStress <= 0.0_pReal) call IO_error(271)
!* RGC parameters: added <<<updated 31.07.2009>>>
if (absTol_RGC <= 0.0_pReal) call IO_error(272)
if (relTol_RGC <= 0.0_pReal) call IO_error(273)
if (absMax_RGC <= 0.0_pReal) call IO_error(274)
if (relMax_RGC <= 0.0_pReal) call IO_error(275)
if (pPert_RGC <= 0.0_pReal) call IO_error(276) !! oops !!
if (xSmoo_RGC <= 0.0_pReal) call IO_error(277)
if (fixedSeed <= 0_pInt) write(6,'(a)') 'Random is random!'
endsubroutine
END MODULE numerics
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