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DAMASK_EICMD/code/numerics.f90

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added a new module called numerics.f90 which reads in all numerical "parameters" from the file numerics.config (also being added). From now on this file has to be located in the working directory of the FEM-model and has to contain all necessary parameters.
2009-06-15 18:41:21 +05:30
!##############################################################
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
Major Update: all modules are now correctly submitted
2009-07-01 16:25:31 +05:30
rTol_crystalliteState, & ! relative tolerance in crystallite state loop
rTol_crystalliteTemperature, & ! relative tolerance in crystallite temperature loop
added a new module called numerics.f90 which reads in all numerical "parameters" from the file numerics.config (also being added). From now on this file has to be located in the working directory of the FEM-model and has to contain all necessary parameters.
2009-06-15 18:41:21 +05:30
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
- added sanity check for temperature tolerance - added temperature tolerance in numerics.config
2009-07-02 22:07:48 +05:30
! rTol_crystalliteTemperature
added a new module called numerics.f90 which reads in all numerical "parameters" from the file numerics.config (also being added). From now on this file has to be located in the working directory of the FEM-model and has to contain all necessary parameters.
2009-06-15 18:41:21 +05:30
! rTol_crystalliteStress
! aTol_crystalliteStress
! resToler
! resAbsol
! resBound
! NRiterMax
numerics.config is now optional; if this file does not exist in the working directory, standard values from numerics.f90 are used; either way the output file tells which values were taken. added some output to the init subroutines of debug.f90, FEsolving.f90, lattice.f90, material.f90 and mesh.f90.
2009-06-18 19:58:02 +05:30
write(6,*)
write(6,*) '<<<+- numerics init -+>>>'
write(6,*)
! initialize all parameters with standard values
- added sanity check for temperature tolerance - added temperature tolerance in numerics.config
2009-07-02 22:07:48 +05:30
relevantStrain = 1.0e-7_pReal
iJacoStiffness = 1_pInt
iJacoLpresiduum = 1_pInt
pert_Fg = 1.0e-6_pReal
nHomog = 10_pInt
nCryst = 20_pInt
nState = 10_pInt
nStress = 40_pInt
subStepMin = 1.0e-3_pReal
rTol_crystalliteState = 1.0e-6_pReal
Major Update: all modules are now correctly submitted
2009-07-01 16:25:31 +05:30
rTol_crystalliteTemperature = 1.0e-6_pReal
- added sanity check for temperature tolerance - added temperature tolerance in numerics.config
2009-07-02 22:07:48 +05:30
rTol_crystalliteStress = 1.0e-6_pReal
aTol_crystalliteStress = 1.0e-8_pReal
resToler = 1.0e-4_pReal
resAbsol = 1.0e+2_pReal
resBound = 1.0e+1_pReal
NRiterMax = 24_pInt
added a new module called numerics.f90 which reads in all numerical "parameters" from the file numerics.config (also being added). From now on this file has to be located in the working directory of the FEM-model and has to contain all necessary parameters.
2009-06-15 18:41:21 +05:30
numerics.config is now optional; if this file does not exist in the working directory, standard values from numerics.f90 are used; either way the output file tells which values were taken. added some output to the init subroutines of debug.f90, FEsolving.f90, lattice.f90, material.f90 and mesh.f90.
2009-06-18 19:58:02 +05:30
! 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 ('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')
Major Update: all modules are now correctly submitted
2009-07-01 16:25:31 +05:30
rTol_crystalliteState = IO_floatValue(line,positions,2)
- added sanity check for temperature tolerance - added temperature tolerance in numerics.config
2009-07-02 22:07:48 +05:30
case ('rtol_crystallitetemperature')
Major Update: all modules are now correctly submitted
2009-07-01 16:25:31 +05:30
rTol_crystalliteTemperature = IO_floatValue(line,positions,2)
numerics.config is now optional; if this file does not exist in the working directory, standard values from numerics.f90 are used; either way the output file tells which values were taken. added some output to the init subroutines of debug.f90, FEsolving.f90, lattice.f90, material.f90 and mesh.f90.
2009-06-18 19:58:02 +05:30
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)
endselect
enddo
100 close(fileunit)
! no config file, so we use standard values
else
write(6,*) ' ... using standard values'
write(6,*)
endif
added a new module called numerics.f90 which reads in all numerical "parameters" from the file numerics.config (also being added). From now on this file has to be located in the working directory of the FEM-model and has to contain all necessary parameters.
2009-06-15 18:41:21 +05:30
numerics.config is now optional; if this file does not exist in the working directory, standard values from numerics.f90 are used; either way the output file tells which values were taken. added some output to the init subroutines of debug.f90, FEsolving.f90, lattice.f90, material.f90 and mesh.f90.
2009-06-18 19:58:02 +05:30
! 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)') 'nCryst: ',nCryst
write(6,'(a24,x,i8)') 'nState: ',nState
write(6,'(a24,x,i8)') 'nStress: ',nStress
write(6,'(a24,x,e8.1)') 'subStepMin: ',subStepMin
Major Update: all modules are now correctly submitted
2009-07-01 16:25:31 +05:30
write(6,'(a24,x,e8.1)') 'rTol_crystalliteState: ',rTol_crystalliteState
write(6,'(a24,x,e8.1)') 'rTol_crystalliteTemp: ',rTol_crystalliteTemperature
numerics.config is now optional; if this file does not exist in the working directory, standard values from numerics.f90 are used; either way the output file tells which values were taken. added some output to the init subroutines of debug.f90, FEsolving.f90, lattice.f90, material.f90 and mesh.f90.
2009-06-18 19:58:02 +05:30
write(6,'(a24,x,e8.1)') 'rTol_crystalliteStress: ',rTol_crystalliteStress
write(6,'(a24,x,e8.1)') 'aTol_crystalliteStress: ',aTol_crystalliteStress
write(6,'(a24,x,e8.1)') 'resToler: ',resToler
write(6,'(a24,x,e8.1)') 'resAbsol: ',resAbsol
write(6,'(a24,x,e8.1)') 'resBound: ',resBound
write(6,'(a24,x,i8)') 'NRiterMax: ',NRiterMax
write(6,*)
- added sanity check for temperature tolerance - added temperature tolerance in numerics.config
2009-07-02 22:07:48 +05:30
! 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_crystalliteTemperature <= 0.0_pReal) call IO_error(276)
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)
added a new module called numerics.f90 which reads in all numerical "parameters" from the file numerics.config (also being added). From now on this file has to be located in the working directory of the FEM-model and has to contain all necessary parameters.
2009-06-15 18:41:21 +05:30
endsubroutine
END MODULE numerics