169 lines
7.2 KiB
Fortran
169 lines
7.2 KiB
Fortran
!##############################################################
|
|
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
|
|
nCryst, & ! crystallite loop limit (only for debugging info, real loop limit is "subStepMin")
|
|
nState, & ! state loop limit
|
|
nStress, & ! stress loop limit
|
|
NRiterMax ! maximum number of GIA iteration
|
|
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_crystalliteStress, & ! relative tolerance in crystallite stress loop
|
|
aTol_crystalliteStress, & ! absolute tolerance in crystallite stress loop
|
|
resToler, & ! relative tolerance of residual in GIA iteration
|
|
resAbsol, & ! absolute tolerance of residual in GIA iteration (corresponds to ~1 Pa)
|
|
resBound ! relative maximum value (upper bound) for GIA residual
|
|
|
|
|
|
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
|
|
|
|
!*** global variables ***!
|
|
! relevantStrain
|
|
! iJacoStiffness
|
|
! iJacoLpresiduum
|
|
! pert_Fg
|
|
! nHomog
|
|
! nCryst
|
|
! nState
|
|
! nStress
|
|
! subStepMin
|
|
! rTol_crystalliteState
|
|
! rTol_crystalliteStress
|
|
! aTol_crystalliteStress
|
|
! resToler
|
|
! resAbsol
|
|
! resBound
|
|
! NRiterMax
|
|
|
|
! initialize all values to zero
|
|
relevantStrain = 0.0_pReal
|
|
iJacoStiffness = 0_pInt
|
|
iJacoLpresiduum = 0_pInt
|
|
pert_Fg = 0.0_pReal
|
|
nHomog = 0_pInt
|
|
nCryst = 0_pInt
|
|
nState = 0_pInt
|
|
nStress = 0_pInt
|
|
subStepMin = 0.0_pReal
|
|
rTol_crystalliteState = 0.0_pReal
|
|
rTol_crystalliteStress = 0.0_pReal
|
|
aTol_crystalliteStress = 0.0_pReal
|
|
resToler = 0.0_pReal
|
|
resAbsol = 0.0_pReal
|
|
resBound = 0.0_pReal
|
|
NRiterMax = 0_pInt
|
|
|
|
! try to open the config file and call error if corrupt
|
|
if(.not. IO_open_file(fileunit,numerics_configFile)) call IO_error (100)
|
|
|
|
line = ''
|
|
! read variables from config file
|
|
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 ('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_crystallitestress')
|
|
rTol_crystalliteStress = IO_floatValue(line,positions,2)
|
|
case ('atol_crystallitestress')
|
|
aTol_crystalliteStress = IO_floatValue(line,positions,2)
|
|
case ('restoler')
|
|
resToler = IO_floatValue(line,positions,2)
|
|
case ('resabsol')
|
|
resAbsol = IO_floatValue(line,positions,2)
|
|
case ('resbound')
|
|
resBound = IO_floatValue(line,positions,2)
|
|
case ('nritermax')
|
|
NRiterMax = IO_intValue(line,positions,2)
|
|
end select
|
|
enddo
|
|
|
|
100 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 (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_crystalliteStress <= 0.0_pReal) call IO_error(270)
|
|
if (aTol_crystalliteStress <= 0.0_pReal) call IO_error(271)
|
|
if (resToler <= 0.0_pReal) call IO_error(272)
|
|
if (resAbsol <= 0.0_pReal) call IO_error(273)
|
|
if (resBound <= 0.0_pReal) call IO_error(274)
|
|
if (NRiterMax < 1_pInt) call IO_error(275)
|
|
|
|
close(fileunit)
|
|
|
|
write(6,*)
|
|
write(6,*) '<<<+- numerics init -+>>>'
|
|
write(6,*) '...done'
|
|
write(6,*)
|
|
|
|
endsubroutine
|
|
|
|
END MODULE numerics |