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DAMASK_EICMD
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avoid the use of global variables 

better to define variables where they are used
This commit is contained in:
Martin Diehl 2019-03-25 15:54:51 +01:00
parent 12723d7247
commit 0503a80943
2 changed files with 45 additions and 55 deletions
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28
src/numerics.f90
View File

@ -88,17 +88,11 @@ module numerics
rotation_tol = 1.0e-12_pReal, & !< tolerance of rotation specified in loadcase, Default 1.0e-12: first guess
polarAlpha = 1.0_pReal, & !< polarization scheme parameter 0.0 < alpha < 2.0. alpha = 1.0 ==> AL scheme, alpha = 2.0 ==> accelerated scheme
polarBeta = 1.0_pReal !< polarization scheme parameter 0.0 < beta < 2.0. beta = 1.0 ==> AL scheme, beta = 2.0 ==> accelerated scheme
character(len=64), private :: &
fftw_plan_mode = 'FFTW_PATIENT' !< reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag
character(len=64), protected, public :: &
spectral_derivative = 'continuous' !< spectral spatial derivative method
character(len=1024), protected, public :: &
petsc_defaultOptions = '-mech_snes_type ngmres &
&-damage_snes_type ngmres &
&-thermal_snes_type ngmres ', &
petsc_options = ''
integer(pInt), protected, public :: &
fftw_planner_flag = 32_pInt !< conversion of fftw_plan_mode to integer, basically what is usually done in the include file of fftw
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
@ -327,10 +321,6 @@ subroutine numerics_init
err_stress_tolabs = IO_floatValue(line,chunkPos,2_pInt)
case ('continuecalculation')
continueCalculation = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
case ('fftw_plan_mode')
fftw_plan_mode = IO_lc(IO_stringValue(line,chunkPos,2_pInt))
case ('spectralderivative')
spectral_derivative = IO_lc(IO_stringValue(line,chunkPos,2_pInt))
case ('update_gamma')
update_gamma = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
case ('petsc_options')
@ -366,21 +356,6 @@ subroutine numerics_init
flush(6)
endif fileExists
#ifdef Grid
select case(IO_lc(fftw_plan_mode)) ! setting parameters for the plan creation of FFTW. Basically a translation from fftw3.f
case('estimate','fftw_estimate') ! ordered from slow execution (but fast plan creation) to fast execution
fftw_planner_flag = 64_pInt
case('measure','fftw_measure')
fftw_planner_flag = 0_pInt
case('patient','fftw_patient')
fftw_planner_flag= 32_pInt
case('exhaustive','fftw_exhaustive')
fftw_planner_flag = 8_pInt
case default
call IO_warning(warning_ID=47_pInt,ext_msg=trim(IO_lc(fftw_plan_mode)))
fftw_planner_flag = 32_pInt
end select
#endif
!--------------------------------------------------------------------------------------------------
! writing parameters to output
@ -457,9 +432,6 @@ subroutine numerics_init
! spectral parameters
#ifdef Grid
write(6,'(a24,1x,L8)') ' continueCalculation: ',continueCalculation
write(6,'(a24,1x,a)') ' spectral_derivative: ',trim(spectral_derivative)
write(6,'(a24,1x,a)') ' fftw_plan_mode: ',trim(fftw_plan_mode)
write(6,'(a24,1x,i8)') ' fftw_planner_flag: ',fftw_planner_flag
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

72
src/spectral_utilities.f90
View File

@ -9,6 +9,7 @@ module spectral_utilities
use PETScSys
use prec, only: &
pReal, &
pStringLen, &
pInt
use math, only: &
math_I3
@ -102,17 +103,18 @@ module spectral_utilities
real(pReal) :: timeincOld
end type tSolutionParams
type, private :: tNumerics
type, private :: tNumerics !< scales divergence/curl calculation: 0- no correction, 1- size scaled to 1, 2- size scaled to Npoints
real(pReal) :: &
FFTW_timelimit !< timelimit for FFTW plan creation, see www.fftw.org
integer :: &
divergence_correction
logical :: &
memory_efficient
integer :: &
divergence_correction !< correct divergence calculation in fourier space 0: no correction, 1: size scaled to 1, 2: size scaled to Npoints
real(pReal) :: &
character(len=pStringLen) :: &
spectral_derivative, &
fftw_planner_flag, &
FFTW_timelimit, & !< timelimit for FFTW plan creation for FFTW, see www.fftw.org
petsc_defaultOptions, &
petsc_options
FFTW_plan_mode, &
PETSc_defaultOptions, &
PETSc_options
end type tNumerics
type(tNumerics) :: num ! numerics parameters. Better name?
@ -167,10 +169,9 @@ contains
subroutine utilities_init
use IO, only: &
IO_error, &
IO_warning
IO_warning, &
IO_lc
use numerics, only: &
spectral_derivative, &
fftw_planner_flag, &
petsc_defaultOptions, &
petsc_options
use debug, only: &
@ -194,7 +195,8 @@ subroutine utilities_init
implicit none
PetscErrorCode :: ierr
integer(pInt) :: i, j, k
integer(pInt) :: i, j, k, &
FFTW_planner_flag
integer(pInt), dimension(3) :: k_s
type(C_PTR) :: &
tensorField, & !< field containing data for FFTW in real and fourier space (in place)
@ -247,14 +249,16 @@ subroutine utilities_init
write(6,'(/,a,3(i12 ))') ' grid a b c: ', grid
write(6,'(a,3(es12.5))') ' size x y z: ', geomSize
num%memory_efficient = config_numerics%getInt ('memory_efficient', defaultVal=1) > 0
num%FFTW_timelimit = config_numerics%getFloat('fftw_timelimit', defaultVal=-1.0)
num%divergence_correction = config_numerics%getInt ('divergence_correction', defaultVal=2)
num%memory_efficient = config_numerics%getInt ('memory_efficient', defaultVal=1) > 0
num%FFTW_timelimit = config_numerics%getFloat ('fftw_timelimit', defaultVal=-1.0)
num%divergence_correction = config_numerics%getInt ('divergence_correction', defaultVal=2)
num%spectral_derivative = config_numerics%getString('spectral_derivative', defaultVal='continuous')
num%FFTW_plan_mode = config_numerics%getString('fftw_plan_mode', defaultVal='FFTW_PATIENT')
if (num%divergence_correction < 0 .or. num%divergence_correction > 2) &
call IO_error(301_pInt,ext_msg='divergence_correction')
select case (spectral_derivative)
select case (num%spectral_derivative)
case ('continuous')
spectral_derivative_ID = DERIVATIVE_CONTINUOUS_ID
case ('central_difference')
@ -262,7 +266,7 @@ subroutine utilities_init
case ('fwbw_difference')
spectral_derivative_ID = DERIVATIVE_FWBW_DIFF_ID
case default
call IO_error(892_pInt,ext_msg=trim(spectral_derivative))
call IO_error(892_pInt,ext_msg=trim(num%spectral_derivative))
end select
!--------------------------------------------------------------------------------------------------
@ -284,6 +288,20 @@ subroutine utilities_init
endif
select case(IO_lc(num%FFTW_plan_mode)) ! setting parameters for the plan creation of FFTW. Basically a translation from fftw3.f
case('estimate','fftw_estimate') ! ordered from slow execution (but fast plan creation) to fast execution
FFTW_planner_flag = 64_pInt
case('measure','fftw_measure')
FFTW_planner_flag = 0_pInt
case('patient','fftw_patient')
FFTW_planner_flag= 32_pInt
case('exhaustive','fftw_exhaustive')
FFTW_planner_flag = 8_pInt
case default
call IO_warning(warning_ID=47_pInt,ext_msg=trim(IO_lc(num%FFTW_plan_mode)))
FFTW_planner_flag = 32_pInt
end select
!--------------------------------------------------------------------------------------------------
! MPI allocation
gridFFTW = int(grid,C_INTPTR_T)
@ -315,12 +333,12 @@ subroutine utilities_init
planTensorForth = fftw_mpi_plan_many_dft_r2c(3, [gridFFTW(3),gridFFTW(2),gridFFTW(1)], & ! dimension, logical length in each dimension in reversed order
tensorSize, FFTW_MPI_DEFAULT_BLOCK, FFTW_MPI_DEFAULT_BLOCK, &! no. of transforms, default iblock and oblock
tensorField_real, tensorField_fourier, & ! input data, output data
PETSC_COMM_WORLD, fftw_planner_flag) ! use all processors, planer precision
PETSC_COMM_WORLD, FFTW_planner_flag) ! use all processors, planer precision
if (.not. C_ASSOCIATED(planTensorForth)) call IO_error(810, ext_msg='planTensorForth')
planTensorBack = fftw_mpi_plan_many_dft_c2r(3, [gridFFTW(3),gridFFTW(2),gridFFTW(1)], & ! dimension, logical length in each dimension in reversed order
tensorSize, FFTW_MPI_DEFAULT_BLOCK, FFTW_MPI_DEFAULT_BLOCK, &! no. of transforms, default iblock and oblock
tensorField_fourier,tensorField_real, & ! input data, output data
PETSC_COMM_WORLD, fftw_planner_flag) ! all processors, planer precision
PETSC_COMM_WORLD, FFTW_planner_flag) ! all processors, planer precision
if (.not. C_ASSOCIATED(planTensorBack)) call IO_error(810, ext_msg='planTensorBack')
!--------------------------------------------------------------------------------------------------
@ -328,12 +346,12 @@ subroutine utilities_init
planVectorForth = fftw_mpi_plan_many_dft_r2c(3, [gridFFTW(3),gridFFTW(2),gridFFTW(1)], & ! dimension, logical length in each dimension in reversed order
vecSize, FFTW_MPI_DEFAULT_BLOCK, FFTW_MPI_DEFAULT_BLOCK, &! no. of transforms, default iblock and oblock
vectorField_real, vectorField_fourier, & ! input data, output data
PETSC_COMM_WORLD, fftw_planner_flag) ! use all processors, planer precision
PETSC_COMM_WORLD, FFTW_planner_flag) ! use all processors, planer precision
if (.not. C_ASSOCIATED(planVectorForth)) call IO_error(810, ext_msg='planVectorForth')
planVectorBack = fftw_mpi_plan_many_dft_c2r(3, [gridFFTW(3),gridFFTW(2),gridFFTW(1)], & ! dimension, logical length in each dimension in reversed order
vecSize, FFTW_MPI_DEFAULT_BLOCK, FFTW_MPI_DEFAULT_BLOCK, & ! no. of transforms, default iblock and oblock
vectorField_fourier,vectorField_real, & ! input data, output data
PETSC_COMM_WORLD, fftw_planner_flag) ! all processors, planer precision
PETSC_COMM_WORLD, FFTW_planner_flag) ! all processors, planer precision
if (.not. C_ASSOCIATED(planVectorBack)) call IO_error(810, ext_msg='planVectorBack')
!--------------------------------------------------------------------------------------------------
@ -341,12 +359,12 @@ subroutine utilities_init
planScalarForth = fftw_mpi_plan_many_dft_r2c(3, [gridFFTW(3),gridFFTW(2),gridFFTW(1)], & ! dimension, logical length in each dimension in reversed order
scalarSize, FFTW_MPI_DEFAULT_BLOCK, FFTW_MPI_DEFAULT_BLOCK, & ! no. of transforms, default iblock and oblock
scalarField_real, scalarField_fourier, & ! input data, output data
PETSC_COMM_WORLD, fftw_planner_flag) ! use all processors, planer precision
PETSC_COMM_WORLD, FFTW_planner_flag) ! use all processors, planer precision
if (.not. C_ASSOCIATED(planScalarForth)) call IO_error(810, ext_msg='planScalarForth')
planScalarBack = fftw_mpi_plan_many_dft_c2r(3, [gridFFTW(3),gridFFTW(2),gridFFTW(1)], & ! dimension, logical length in each dimension in reversed order, no. of transforms
scalarSize, FFTW_MPI_DEFAULT_BLOCK, FFTW_MPI_DEFAULT_BLOCK, & ! no. of transforms, default iblock and oblock
scalarField_fourier,scalarField_real, & ! input data, output data
PETSC_COMM_WORLD, fftw_planner_flag) ! use all processors, planer precision
PETSC_COMM_WORLD, FFTW_planner_flag) ! use all processors, planer precision
if (.not. C_ASSOCIATED(planScalarBack)) call IO_error(810, ext_msg='planScalarBack')
!--------------------------------------------------------------------------------------------------
@ -426,9 +444,9 @@ subroutine utilities_updateGamma(C,saveReference)
endif
if(.not. num%memory_efficient) then
gamma_hat = cmplx(0.0_pReal,0.0_pReal,pReal) ! for the singular point and any non invertible A
gamma_hat = cmplx(0.0_pReal,0.0_pReal,pReal) ! for the singular point and any non invertible A
do k = grid3Offset+1, grid3Offset+grid3; do j = 1, grid(2); do i = 1, grid1Red
if (any([i,j,k] /= 1)) then ! singular point at xi=(0.0,0.0,0.0) i.e. i=j=k=1
if (any([i,j,k] /= 1)) then ! singular point at xi=(0.0,0.0,0.0) i.e. i=j=k=1
forall(l = 1:3, m = 1:3) &
xiDyad_cmplx(l,m) = conjg(-xi1st(l,i,j,k-grid3Offset))*xi1st(m,i,j,k-grid3Offset)
forall(l = 1:3, m = 1:3) &
@ -497,7 +515,7 @@ subroutine utilities_FFTscalarBackward
implicit none
call fftw_mpi_execute_dft_c2r(planScalarBack,scalarField_fourier,scalarField_real)
scalarField_real = scalarField_real * wgt ! normalize the result by number of elements
scalarField_real = scalarField_real * wgt ! normalize the result by number of elements
end subroutine utilities_FFTscalarBackward
@ -524,7 +542,7 @@ subroutine utilities_FFTvectorBackward
implicit none
call fftw_mpi_execute_dft_c2r(planVectorBack,vectorField_fourier,vectorField_real)
vectorField_real = vectorField_real * wgt ! normalize the result by number of elements
vectorField_real = vectorField_real * wgt ! normalize the result by number of elements
end subroutine utilities_FFTvectorBackward