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DAMASK_EICMD
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better define variables close to their usage

This commit is contained in:
Martin Diehl 2019-03-26 07:36:55 +01:00
parent 321c3f16a6
commit ce2cb16921
5 changed files with 38 additions and 28 deletions
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2
src/IO.f90
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@ -823,8 +823,6 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
msg = 'microstructure count mismatch'
case (846_pInt)
msg = 'rotation for load case rotation ill-defined (R:RT != I)'
case (847_pInt)
msg = 'update of gamma operator not possible when pre-calculated'
case (880_pInt)
msg = 'mismatch of microstructure count and a*b*c in geom file'
case (891_pInt)

15
src/grid_mech_spectral_basic.f90
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@ -23,6 +23,13 @@ module grid_mech_spectral_basic
!--------------------------------------------------------------------------------------------------
! derived types
type(tSolutionParams), private :: params
type, private :: tNumerics
logical :: &
update_gamma !< update gamma operator with current stiffness
end type tNumerics
type(tNumerics) :: num ! numerics parameters. Better name?
!--------------------------------------------------------------------------------------------------
! PETSc data
@ -79,6 +86,8 @@ subroutine grid_mech_spectral_basic_init
IO_open_jobFile_binary
use FEsolving, only: &
restartInc
use config, only :&
config_numerics
use numerics, only: &
worldrank, &
worldsize, &
@ -117,6 +126,8 @@ subroutine grid_mech_spectral_basic_init
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
num%update_gamma = config_numerics%getInt('update_gamma',defaultVal=0) > 0
!--------------------------------------------------------------------------------------------------
! set default and user defined options for PETSc
@ -209,8 +220,6 @@ end subroutine grid_mech_spectral_basic_init
!> @brief solution for the basic scheme with internal iterations
!--------------------------------------------------------------------------------------------------
function grid_mech_spectral_basic_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC) result(solution)
use numerics, only: &
update_gamma
use spectral_utilities, only: &
tBoundaryCondition, &
utilities_maskedCompliance, &
@ -243,7 +252,7 @@ function grid_mech_spectral_basic_solution(incInfoIn,timeinc,timeinc_old,stress_
!--------------------------------------------------------------------------------------------------
! update stiffness (and gamma operator)
S = Utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg)
if (update_gamma) call Utilities_updateGamma(C_minMaxAvg,restartWrite)
if (num%update_gamma) call Utilities_updateGamma(C_minMaxAvg,restartWrite)
!--------------------------------------------------------------------------------------------------
! set module wide available data

25
src/grid_mech_spectral_polarisation.f90
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@ -22,8 +22,15 @@ module grid_mech_spectral_polarisation
!--------------------------------------------------------------------------------------------------
! derived types
type(tSolutionParams), private :: params
type(tSolutionParams), private :: params
type, private :: tNumerics
logical :: &
update_gamma !< update gamma operator with current stiffness
end type tNumerics
type(tNumerics) :: num ! numerics parameters. Better name?
!--------------------------------------------------------------------------------------------------
! PETSc data
DM, private :: da
@ -85,6 +92,8 @@ subroutine grid_mech_spectral_polarisation_init
IO_open_jobFile_binary
use FEsolving, only: &
restartInc
use config, only :&
config_numerics
use numerics, only: &
worldrank, &
worldsize, &
@ -94,9 +103,9 @@ subroutine grid_mech_spectral_polarisation_init
use DAMASK_interface, only: &
getSolverJobName
use spectral_utilities, only: &
utilities_constitutiveResponse, &
utilities_updateGamma, &
utilities_updateIPcoords, &
utilities_constitutiveResponse, &
utilities_updateGamma, &
utilities_updateIPcoords, &
wgt
use mesh, only: &
grid, &
@ -122,6 +131,8 @@ subroutine grid_mech_spectral_polarisation_init
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
num%update_gamma = config_numerics%getInt('update_gamma',defaultVal=0) > 0
!--------------------------------------------------------------------------------------------------
! set default and user defined options for PETSc
@ -226,8 +237,6 @@ end subroutine grid_mech_spectral_polarisation_init
!> @brief solution for the Polarisation scheme with internal iterations
!--------------------------------------------------------------------------------------------------
function grid_mech_spectral_polarisation_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC) result(solution)
use numerics, only: &
update_gamma
use math, only: &
math_invSym3333
use spectral_utilities, only: &
@ -262,7 +271,7 @@ function grid_mech_spectral_polarisation_solution(incInfoIn,timeinc,timeinc_old,
!--------------------------------------------------------------------------------------------------
! update stiffness (and gamma operator)
S = Utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg)
if (update_gamma) then
if (num%update_gamma) then
call utilities_updateGamma(C_minMaxAvg,restartWrite)
C_scale = C_minMaxAvg
S_scale = math_invSym3333(C_minMaxAvg)

10
src/numerics.f90
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@ -94,9 +94,8 @@ module numerics
&-thermal_snes_type ngmres ', &
petsc_options = ''
logical, protected, public :: &
continueCalculation = .false., & !< false:exit if BVP solver does not converge, true: continue calculation despite BVP solver not converging
memory_efficient = .true., & !< for fast execution (pre calculation of gamma_hat), Default .true.: do not precalculate
update_gamma = .false. !< update gamma operator with current stiffness, Default .false.: use initial stiffness
continueCalculation = .false. !< false:exit if BVP solver does not converge, true: continue calculation despite BVP solver not converging
#endif
!--------------------------------------------------------------------------------------------------
@ -321,8 +320,6 @@ subroutine numerics_init
err_stress_tolabs = IO_floatValue(line,chunkPos,2_pInt)
case ('continuecalculation')
continueCalculation = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
case ('update_gamma')
update_gamma = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
case ('petsc_options')
petsc_options = trim(line(chunkPos(4):))
case ('err_curl_tolabs')
@ -432,7 +429,6 @@ subroutine numerics_init
! spectral parameters
#ifdef Grid
write(6,'(a24,1x,L8)') ' continueCalculation: ',continueCalculation
write(6,'(a24,1x,L8,/)') ' update_gamma: ',update_gamma
write(6,'(a24,1x,es8.1)') ' err_stress_tolAbs: ',err_stress_tolAbs
write(6,'(a24,1x,es8.1)') ' err_stress_tolRel: ',err_stress_tolRel
write(6,'(a24,1x,es8.1)') ' err_div_tolAbs: ',err_div_tolAbs
@ -506,8 +502,6 @@ subroutine numerics_init
if (err_damage_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_damage_tolabs')
if (err_damage_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_damage_tolrel')
#ifdef Grid
if (update_gamma .and. &
.not. memory_efficient) call IO_error(error_ID = 847_pInt)
if (err_stress_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_stress_tolRel')
if (err_stress_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_stress_tolAbs')
if (err_div_tolRel < 0.0_pReal) call IO_error(301_pInt,ext_msg='err_div_tolRel')

14
src/spectral_utilities.f90
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@ -104,16 +104,16 @@ module spectral_utilities
real(pReal) :: timeincOld
end type tSolutionParams
type, private :: tNumerics !< scales divergence/curl calculation: 0- no correction, 1- size scaled to 1, 2- size scaled to Npoints
type, private :: tNumerics
real(pReal) :: &
FFTW_timelimit !< timelimit for FFTW plan creation, see www.fftw.org
integer :: &
divergence_correction
divergence_correction !< scale divergence/curl calculation: [0: no correction, 1: size scaled to 1, 2: size scaled to Npoints]
logical :: &
memory_efficient
memory_efficient !< calculate gamma operator on the fly
character(len=pStringLen) :: &
spectral_derivative, &
FFTW_plan_mode, &
spectral_derivative, & !< approximation used for derivatives in Fourier space
FFTW_plan_mode, & !< FFTW plan mode, see www.fftw.org
PETSc_defaultOptions, &
PETSc_options
end type tNumerics
@ -405,13 +405,13 @@ subroutine utilities_init
end subroutine utilities_init
!--------------------------------------------------------------------------------------------------
!---------------------------------------------------------------------------------------------------
!> @brief updates reference stiffness and potentially precalculated gamma operator
!> @details Sets the current reference stiffness to the stiffness given as an argument.
!> If the gamma operator is precalculated, it is calculated with this stiffness.
!> In case of an on-the-fly calculation, only the reference stiffness is updated.
!> Also writes out the current reference stiffness for restart.
!--------------------------------------------------------------------------------------------------
!---------------------------------------------------------------------------------------------------
subroutine utilities_updateGamma(C,saveReference)
use IO, only: &
IO_open_jobFile_binary