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no need to store variables that are used only during init

This commit is contained in:
Martin Diehl 2020-09-13 12:31:01 +02:00
parent 316c5f7d20
commit c14241a8e9
2 changed files with 8 additions and 20 deletions
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6
src/crystallite.f90
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@ -82,8 +82,6 @@ module crystallite
iJacoLpresiduum, & !< frequency of Jacobian update of residuum in Lp iJacoLpresiduum, & !< frequency of Jacobian update of residuum in Lp
nState, & !< state loop limit nState, & !< state loop limit
nStress !< stress loop limit nStress !< stress loop limit
character(len=:), allocatable :: &
integrator !< integration scheme
real(pReal) :: & real(pReal) :: &
subStepMinCryst, & !< minimum (relative) size of sub-step allowed during cutback subStepMinCryst, & !< minimum (relative) size of sub-step allowed during cutback
subStepSizeCryst, & !< size of first substep when cutback subStepSizeCryst, & !< size of first substep when cutback
@ -200,7 +198,6 @@ subroutine crystallite_init
num%rtol_crystalliteStress = num_crystallite%get_asFloat ('rtol_Stress', defaultVal=1.0e-6_pReal) num%rtol_crystalliteStress = num_crystallite%get_asFloat ('rtol_Stress', defaultVal=1.0e-6_pReal)
num%atol_crystalliteStress = num_crystallite%get_asFloat ('atol_Stress', defaultVal=1.0e-8_pReal) num%atol_crystalliteStress = num_crystallite%get_asFloat ('atol_Stress', defaultVal=1.0e-8_pReal)
num%iJacoLpresiduum = num_crystallite%get_asInt ('iJacoLpresiduum', defaultVal=1) num%iJacoLpresiduum = num_crystallite%get_asInt ('iJacoLpresiduum', defaultVal=1)
num%integrator = num_crystallite%get_asString('integrator', defaultVal='FPI')
num%nState = num_crystallite%get_asInt ('nState', defaultVal=20) num%nState = num_crystallite%get_asInt ('nState', defaultVal=20)
num%nStress = num_crystallite%get_asInt ('nStress', defaultVal=40) num%nStress = num_crystallite%get_asInt ('nStress', defaultVal=40)
@ -220,8 +217,7 @@ subroutine crystallite_init
if(num%nState < 1) call IO_error(301,ext_msg='nState') if(num%nState < 1) call IO_error(301,ext_msg='nState')
if(num%nStress< 1) call IO_error(301,ext_msg='nStress') if(num%nStress< 1) call IO_error(301,ext_msg='nStress')
select case(num_crystallite%get_asString('integrator',defaultVal='FPI'))
select case(num%integrator)
case('FPI') case('FPI')
integrateState => integrateStateFPI integrateState => integrateStateFPI
case('Euler') case('Euler')

20
src/grid/spectral_utilities.f90
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@ -109,15 +109,10 @@ module spectral_utilities
end type tSolutionParams end type tSolutionParams
type, private :: tNumerics type, private :: tNumerics
real(pReal) :: &
FFTW_timelimit !< timelimit for FFTW plan creation, see www.fftw.org
integer :: & integer :: &
divergence_correction !< scale divergence/curl calculation: [0: no correction, 1: size scaled to 1, 2: size scaled to Npoints] divergence_correction !< scale divergence/curl calculation: [0: no correction, 1: size scaled to 1, 2: size scaled to Npoints]
logical :: & logical :: &
memory_efficient !< calculate gamma operator on the fly memory_efficient !< calculate gamma operator on the fly
character(len=:), allocatable :: &
spectral_derivative, & !< approximation used for derivatives in Fourier space
FFTW_plan_mode !< FFTW plan mode, see www.fftw.org
end type tNumerics end type tNumerics
type(tNumerics), private :: num ! numerics parameters. Better name? type(tNumerics), private :: num ! numerics parameters. Better name?
@ -234,16 +229,13 @@ subroutine spectral_utilities_init
write(6,'(/,a,3(i12 ))') ' grid a b c: ', grid write(6,'(/,a,3(i12 ))') ' grid a b c: ', grid
write(6,'(a,3(es12.5))') ' size x y z: ', geomSize write(6,'(a,3(es12.5))') ' size x y z: ', geomSize
num%memory_efficient = num_grid%get_asInt ('memory_efficient', defaultVal=1) > 0 num%memory_efficient = num_grid%get_asInt('memory_efficient', defaultVal=1) > 0 ! ToDo: should be logical in YAML file
num%FFTW_timelimit = num_grid%get_asFloat ('fftw_timelimit', defaultVal=-1.0_pReal)
num%divergence_correction = num_grid%get_asInt('divergence_correction', defaultVal=2) num%divergence_correction = num_grid%get_asInt('divergence_correction', defaultVal=2)
num%spectral_derivative = num_grid%get_asString('derivative', defaultVal='continuous')
num%FFTW_plan_mode = num_grid%get_asString('fftw_plan_mode', defaultVal='FFTW_MEASURE')
if (num%divergence_correction < 0 .or. num%divergence_correction > 2) & if (num%divergence_correction < 0 .or. num%divergence_correction > 2) &
call IO_error(301,ext_msg='divergence_correction') call IO_error(301,ext_msg='divergence_correction')
select case (num%spectral_derivative) select case (num_grid%get_asString('derivative',defaultVal='continuous'))
case ('continuous') case ('continuous')
spectral_derivative_ID = DERIVATIVE_CONTINUOUS_ID spectral_derivative_ID = DERIVATIVE_CONTINUOUS_ID
case ('central_difference') case ('central_difference')
@ -251,7 +243,7 @@ subroutine spectral_utilities_init
case ('FWBW_difference') case ('FWBW_difference')
spectral_derivative_ID = DERIVATIVE_FWBW_DIFF_ID spectral_derivative_ID = DERIVATIVE_FWBW_DIFF_ID
case default case default
call IO_error(892,ext_msg=trim(num%spectral_derivative)) call IO_error(892,ext_msg=trim(num_grid%get_asString('derivative')))
end select end select
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -272,7 +264,7 @@ subroutine spectral_utilities_init
scaledGeomSize = geomSize scaledGeomSize = geomSize
endif endif
select case(IO_lc(num%FFTW_plan_mode)) ! setting parameters for the plan creation of FFTW. Basically a translation from fftw3.f select case(IO_lc(num_grid%get_asString('fftw_plan_mode',defaultVal='FFTW_MEASURE')))
case('fftw_estimate') ! ordered from slow execution (but fast plan creation) to fast execution case('fftw_estimate') ! ordered from slow execution (but fast plan creation) to fast execution
FFTW_planner_flag = FFTW_ESTIMATE FFTW_planner_flag = FFTW_ESTIMATE
case('fftw_measure') case('fftw_measure')
@ -282,14 +274,14 @@ subroutine spectral_utilities_init
case('fftw_exhaustive') case('fftw_exhaustive')
FFTW_planner_flag = FFTW_EXHAUSTIVE FFTW_planner_flag = FFTW_EXHAUSTIVE
case default case default
call IO_warning(warning_ID=47,ext_msg=trim(IO_lc(num%FFTW_plan_mode))) call IO_warning(warning_ID=47,ext_msg=trim(IO_lc(num_grid%get_asString('fftw_plan_mode'))))
FFTW_planner_flag = FFTW_MEASURE FFTW_planner_flag = FFTW_MEASURE
end select end select
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! general initialization of FFTW (see manual on fftw.org for more details) ! general initialization of FFTW (see manual on fftw.org for more details)
if (pReal /= C_DOUBLE .or. kind(1) /= C_INT) error stop 'C and Fortran datatypes do not match' if (pReal /= C_DOUBLE .or. kind(1) /= C_INT) error stop 'C and Fortran datatypes do not match'
call fftw_set_timelimit(num%FFTW_timelimit) call fftw_set_timelimit(num_grid%get_asFloat('fftw_timelimit',defaultVal=-1.0_pReal))
if (debugGeneral) write(6,'(/,a)') ' FFTW initialized'; flush(6) if (debugGeneral) write(6,'(/,a)') ' FFTW initialized'; flush(6)