!* $Id$
!##############################################################
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 (only for debugging info, loop limit is determined by "subStepMinHomog")
nMPstate, & ! materialpoint state loop limit
nCryst, & ! crystallite loop limit (only for debugging info, loop limit is determined by "subStepMinCryst")
nState, & ! state loop limit
nStress, & ! stress loop limit
pert_method, & ! method used in perturbation technique for tangent
numerics_integrationMode ! integration mode 1 = central solution ; integration mode 2 = perturbation
integer(pInt), dimension(2) :: numerics_integrator ! method used for state integration (central & perturbed state)
real(pReal) relevantStrain, & ! strain increment considered significant (used by crystallite to determine whether strain inc is considered significant)
defgradTolerance, & ! deviation of deformation gradient that is still allowed (used by CPFEM to determine outdated ffn1)
pert_Fg, & ! strain perturbation for FEM Jacobi
subStepMinCryst, & ! minimum (relative) size of sub-step allowed during cutback in crystallite
subStepMinHomog, & ! minimum (relative) size of sub-step allowed during cutback in homogenization
subStepSizeCryst, & ! size of first substep when cutback in crystallite
subStepSizeHomog, & ! size of first substep when cutback in homogenization
stepIncreaseCryst, & ! increase of next substep size when previous substep converged in crystallite
stepIncreaseHomog, & ! increase of next substep size when previous substep converged in homogenization
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 17.12.2009>>>
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)
viscPower_RGC, & ! power (sensitivity rate) of numerical viscosity in RGC scheme
viscModus_RGC, & ! stress modulus of RGC numerical viscosity
refRelaxRate_RGC, & ! reference relaxation rate in RGC viscosity
maxdRelax_RGC, & ! threshold of maximum relaxation vector increment (if exceed this then cutback)
maxVolDiscr_RGC, & ! threshold of maximum volume discrepancy allowed
volDiscrMod_RGC, & ! stiffness of RGC volume discrepancy (zero = without volume discrepancy constraint)
volDiscrPow_RGC, & ! powerlaw penalty for volume discrepancy
!* spectral parameters:
err_div_tol, & ! error of divergence in fourier space
err_stress_tol, & ! absolut stress error, will be computed from err_stress_tolrel (dont prescribe a value)
err_stress_tolrel, & ! factor to multiply with highest stress to get err_stress_tol
err_defgrad_tol ! tolerance for error of defgrad compared to prescribed defgrad
logical memory_efficient ! for fast execution (pre calculation of gamma_hat)
integer(pInt) itmax , & ! maximum number of iterations
!* Random seeding parameters
fixedSeed ! fixed seeding for pseudo-random number generator
!* OpenMP variable
!$ integer(pInt) mpieNumThreadsInt ! value stored in environment variable MPIE_NUM_THREADS
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
!$ use OMP_LIB ! the openMP function library
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
! OpenMP variable
!$ character(len=4) mpieNumThreadsString !environment variable MPIE_NUMTHREADS
!$OMP CRITICAL (write2out)
write(6,*)
write(6,*) '<<<+- numerics init -+>>>'
write(6,*) '$Id$'
write(6,*)
!$OMP END CRITICAL (write2out)
! initialize all parameters with standard values
relevantStrain = 1.0e-7_pReal
defgradTolerance = 1.0e-7_pReal
iJacoStiffness = 1_pInt
iJacoLpresiduum = 1_pInt
pert_Fg = 1.0e-7_pReal
pert_method = 1
nHomog = 20_pInt
subStepMinHomog = 1.0e-3_pReal
subStepSizeHomog = 0.25
stepIncreaseHomog = 1.5
nMPstate = 10_pInt
nCryst = 20_pInt
subStepMinCryst = 1.0e-3_pReal
subStepsizeCryst = 0.25
stepIncreaseCryst = 1.5
nState = 10_pInt
nStress = 40_pInt
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)
numerics_integrator(1) = 1 ! fix-point iteration
numerics_integrator(2) = 1 ! fix-point iteration
!* RGC parameters: added <<<updated 17.12.2009>>> with moderate setting
absTol_RGC = 1.0e+4
relTol_RGC = 1.0e-3
absMax_RGC = 1.0e+10
relMax_RGC = 1.0e+2
pPert_RGC = 1.0e-7
xSmoo_RGC = 1.0e-5
viscPower_RGC = 1.0e+0 ! Newton viscosity (linear model)
viscModus_RGC = 0.0e+0 ! No viscosity is applied
refRelaxRate_RGC = 1.0e-3
maxdRelax_RGC = 1.0e+0
maxVolDiscr_RGC = 1.0e-5 ! tolerance for volume discrepancy allowed
volDiscrMod_RGC = 1.0e+12
volDiscrPow_RGC = 5.0
!* spectral parameters:
err_div_tol = 1.0e-4 ! proposed by Suquet, less strict criteria are usefull, e.g. 5e-3
err_defgrad_tol = 1.0e-3 ! relative tolerance for fullfillment of average deformation gradient (is usually passively fullfilled)
err_stress_tolrel = 0.01 ! relative tolerance for fullfillment of stress BC
itmax = 20_pInt ! Maximum iteration number
memory_efficient = .true. ! Precalculate Gamma-operator (81 double per point)
!* Random seeding parameters: added <<<updated 27.08.2009>>>
fixedSeed = 0_pInt
!* determin number of threads from environment variable MPIE_NUM_THREADS
!$ call GetEnv('MPIE_NUM_THREADS',mpieNumThreadsString) ! get environment variable MPIE_NUM_THREADS...
!$ read(mpieNumThreadsString,'(i4)') mpieNumThreadsInt ! ...convert it to integer...
!$ if (mpieNumThreadsInt < 1) mpieNumThreadsInt = 1 ! ...ensure that its at least one...
!$ call omp_set_num_threads(mpieNumThreadsInt) ! ...and use it as number of threads for parallel execution
! try to open the config file
if(IO_open_file(fileunit,numerics_configFile)) then
!$OMP CRITICAL (write2out)
write(6,*) ' ... using values from config file'
write(6,*)
!$OMP END CRITICAL (write2out)
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 ('defgradtolerance')
defgradTolerance = 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 ('pert_method')
pert_method = IO_intValue(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 ('substepmincryst')
subStepMinCryst = IO_floatValue(line,positions,2)
case ('substepsizecryst')
subStepSizeCryst = IO_floatValue(line,positions,2)
case ('stepincreasecryst')
stepIncreaseCryst = IO_floatValue(line,positions,2)
case ('substepminhomog')
subStepMinHomog = IO_floatValue(line,positions,2)
case ('substepsizehomog')
subStepSizeHomog = IO_floatValue(line,positions,2)
case ('stepincreasehomog')
stepIncreaseHomog = 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)
case ('integrator')
numerics_integrator(1) = IO_intValue(line,positions,2)
case ('integratorstiffness')
numerics_integrator(2) = IO_intValue(line,positions,2)
!* RGC parameters:
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)
case ('viscositypower_rgc')
viscPower_RGC = IO_floatValue(line,positions,2)
case ('viscositymodulus_rgc')
viscModus_RGC = IO_floatValue(line,positions,2)
case ('refrelaxationrate_rgc')
refRelaxRate_RGC = IO_floatValue(line,positions,2)
case ('maxrelaxation_rgc')
maxdRelax_RGC = IO_floatValue(line,positions,2)
case ('maxvoldiscrepancy_rgc')
maxVolDiscr_RGC = IO_floatValue(line,positions,2)
case ('voldiscrepancymod_rgc')
volDiscrMod_RGC = IO_floatValue(line,positions,2)
case ('discrepancypower_rgc')
volDiscrPow_RGC = IO_floatValue(line,positions,2)
!* spectral parameters
case ('err_div_tol')
err_div_tol = IO_floatValue(line,positions,2)
case ('err_defgrad_tol')
err_defgrad_tol = IO_floatValue(line,positions,2)
case ('err_stress_tolrel')
err_stress_tolrel = IO_floatValue(line,positions,2)
case ('itmax')
itmax = IO_intValue(line,positions,2)
case ('memory_efficient')
memory_efficient = IO_intValue(line,positions,2) > 0_pInt
!* Random seeding parameters
case ('fixed_seed')
fixedSeed = IO_floatValue(line,positions,2)
endselect
enddo
100 close(fileunit)
! no config file, so we use standard values
else
!$OMP CRITICAL (write2out)
write(6,*) ' ... using standard values'
write(6,*)
!$OMP END CRITICAL (write2out)
endif
! writing parameters to output file
!$OMP CRITICAL (write2out)
write(6,'(a24,x,e8.1)') 'relevantStrain: ',relevantStrain
write(6,'(a24,x,e8.1)') 'defgradTolerance: ',defgradTolerance
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)') 'pert_method: ',pert_method
write(6,'(a24,x,i8)') 'nCryst: ',nCryst
write(6,'(a24,x,e8.1)') 'subStepMinCryst: ',subStepMinCryst
write(6,'(a24,x,e8.1)') 'subStepSizeCryst: ',subStepSizeCryst
write(6,'(a24,x,e8.1)') 'stepIncreaseCryst: ',stepIncreaseCryst
write(6,'(a24,x,i8)') 'nState: ',nState
write(6,'(a24,x,i8)') 'nStress: ',nStress
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
write(6,'(a24,2(x,i8))')'integrator: ',numerics_integrator
write(6,*)
write(6,'(a24,x,i8)') 'nHomog: ',nHomog
write(6,'(a24,x,e8.1)') 'subStepMinHomog: ',subStepMinHomog
write(6,'(a24,x,e8.1)') 'subStepSizeHomog: ',subStepSizeHomog
write(6,'(a24,x,e8.1)') 'stepIncreaseHomog: ',stepIncreaseHomog
write(6,'(a24,x,i8)') 'nMPstate: ',nMPstate
write(6,*)
!* RGC parameters
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
write(6,'(a24,x,e8.1)') 'viscosityrate_RGC: ',viscPower_RGC
write(6,'(a24,x,e8.1)') 'viscositymodulus_RGC: ',viscModus_RGC
write(6,'(a24,x,e8.1)') 'maxrelaxation_RGC: ',maxdRelax_RGC
write(6,'(a24,x,e8.1)') 'maxVolDiscrepancy_RGC: ',maxVolDiscr_RGC
write(6,'(a24,x,e8.1)') 'volDiscrepancyMod_RGC: ',volDiscrMod_RGC
write(6,'(a24,x,e8.1)') 'discrepancyPower_RGC: ',volDiscrPow_RGC
write(6,*)
!* spectral parameters
write(6,'(a24,x,e8.1)') 'err_div_tol: ',err_div_tol
write(6,'(a24,x,e8.1)') 'err_defgrad_tol: ',err_defgrad_tol
write(6,'(a24,x,e8.1)') 'err_stress_tolrel: ',err_stress_tolrel
write(6,'(a24,x,i8)') 'itmax: ',itmax
write(6,'(a24,x,L8)') 'memory_efficient: ',memory_efficient
write(6,*)
!* Random seeding parameters
write(6,'(a24,x,i8)') 'fixed_seed: ',fixedSeed
write(6,*)
!$OMP END CRITICAL (write2out)
!* openMP parameter
!$ write(6,'(a24,x,i8)') 'number of threads: ',OMP_get_max_threads()
!$ write(6,*)
! sanity check
if (relevantStrain <= 0.0_pReal) call IO_error(260)
if (defgradTolerance <= 0.0_pReal) call IO_error(294)
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 (pert_method <= 0_pInt .or. pert_method >= 4_pInt) &
call IO_error(299)
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 (subStepMinCryst <= 0.0_pReal) call IO_error(268)
if (subStepSizeCryst <= 0.0_pReal) call IO_error(268)
if (stepIncreaseCryst <= 0.0_pReal) call IO_error(268)
if (subStepMinHomog <= 0.0_pReal) call IO_error(268)
if (subStepSizeHomog <= 0.0_pReal) call IO_error(268)
if (stepIncreaseHomog <= 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)
if (any(numerics_integrator <= 0_pInt) .or. any(numerics_integrator >= 6_pInt)) &
call IO_error(298)
!* RGC parameters: added <<<updated 17.11.2009>>>
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 (viscPower_RGC < 0.0_pReal) call IO_error(278)
if (viscModus_RGC < 0.0_pReal) call IO_error(278)
if (refRelaxRate_RGC <= 0.0_pReal) call IO_error(278)
if (maxdRelax_RGC <= 0.0_pReal) call IO_error(288)
if (maxVolDiscr_RGC <= 0.0_pReal) call IO_error(289)
if (volDiscrMod_RGC < 0.0_pReal) call IO_error(289)
if (volDiscrPow_RGC <= 0.0_pReal) call IO_error(289)
!* spectral parameters
if (err_div_tol <= 0.0_pReal) call IO_error(49)
if (err_defgrad_tol <= 0.0_pReal) call IO_error(49)
if (err_stress_tolrel <= 0.0_pReal) call IO_error(49)
if (itmax <= 1.0_pInt) call IO_error(49)
if (fixedSeed <= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,'(a)') 'Random is random!'
!$OMP END CRITICAL (write2out)
endif
endsubroutine
END MODULE numerics