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grid solver related changes

This commit is contained in:
Sharan Roongta 2023-07-12 18:48:28 +02:00
parent 61f1cdf70d
commit 12cb043d6d
9 changed files with 182 additions and 122 deletions
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2
PRIVATE

@ -1 +1 @@
Subproject commit d61d62667fb683a61dcc41cd90194a2d9b279879
Subproject commit 6c1a6993d31c62711553a5ba5d6b0cf5b6620634

34
src/IO.f90
View File

@ -22,6 +22,8 @@ module IO
character, parameter, public :: &
IO_EOL = new_line('DAMASK'), & !< end of line character
IO_COMMENT = '#'
character(len=*), parameter :: LOWER = 'abcdefghijklmnopqrstuvwxyz'
character(len=len(LOWER)), parameter :: UPPER = 'ABCDEFGHIJKLMNOPQRSTUVWXYZ'
character, parameter :: &
CR = achar(13), &
LF = IO_EOL
@ -32,6 +34,7 @@ module IO
IO_readlines, &
IO_isBlank, &
IO_wrapLines, &
IO_postfix, &
IO_strPos, &
IO_strValue, &
IO_intValue, &
@ -238,6 +241,30 @@ pure function IO_strPos(str)
end function IO_strPos
!--------------------------------------------------------------------------------------------------
!> @brief Append postfix to each indicator character that is followed by a lowercase letter.
!--------------------------------------------------------------------------------------------------
function IO_postfix(string,indicator,postfix)
character(len=*), intent(in) :: string
character, intent(in) :: indicator
character(len=*), intent(in) :: postfix
character(len=:), allocatable :: IO_postfix
integer :: i,N
IO_postfix = ''
N = len(string)
do i = 1, N
IO_postfix = IO_postfix//string(i:i)
if (string(i:i) == indicator .and. verify(IO_lc(string(min(i+1,N):min(i+1,N))),LOWER) == 0) &
IO_postfix = IO_postfix//postfix
end do
end function IO_postfix
!--------------------------------------------------------------------------------------------------
!> @brief Read string value at myChunk from string.
!--------------------------------------------------------------------------------------------------
@ -294,9 +321,6 @@ pure function IO_lc(str)
character(len=*), intent(in) :: str !< string to convert
character(len=len(str)) :: IO_lc
character(len=*), parameter :: LOWER = 'abcdefghijklmnopqrstuvwxyz'
character(len=len(LOWER)), parameter :: UPPER = 'ABCDEFGHIJKLMNOPQRSTUVWXYZ'
integer :: i,n
@ -832,6 +856,10 @@ subroutine selfTest()
if ('abc,'//IO_EOL//'xxdefg,'//IO_EOL//'xxhij' /= IO_wrapLines('abc,defg, hij',filler='xx',length=4)) &
error stop 'IO_wrapLines/7'
str='-a -1 -more 123 -flag -'
out=IO_postfix(str,'-+','p_')
if (out /= '-p_a -1 -p_more 123 -p_flag -') error stop 'IO_postfix'
end subroutine selfTest
end module IO

15
src/grid/DAMASK_grid.f90
View File

@ -108,6 +108,7 @@ program DAMASK_grid
quit
type(tDict), pointer :: &
config_load, &
num_solver, &
num_grid, &
load_step, &
solver, &
@ -122,6 +123,7 @@ program DAMASK_grid
character(len=:), allocatable :: &
fileContent, fname
!--------------------------------------------------------------------------------------------------
! init DAMASK (all modules)
@ -151,9 +153,12 @@ program DAMASK_grid
end if
call parallelization_bcast_str(fileContent)
config_load => YAML_parse_str_asDict(fileContent)
config_load => YAML_parse_str_asDict(fileContent) !ToDo: misleading prefix (overlaps with entities from config module)
solver => config_load%get_dict('solver')
num_solver => config_numerics%get_dict('solver',defaultVal=emptyDict)
num_grid => num_solver%get_dict('grid',defaultVal=emptyDict)
!--------------------------------------------------------------------------------------------------
! assign mechanics solver depending on selected type
@ -313,21 +318,21 @@ program DAMASK_grid
!--------------------------------------------------------------------------------------------------
! doing initialization depending on active solvers
call spectral_Utilities_init()
call spectral_utilities_init()
do field = 2, nActiveFields
select case (ID(field))
case (FIELD_THERMAL_ID)
call grid_thermal_spectral_init()
call grid_thermal_spectral_init(num_grid)
case (FIELD_DAMAGE_ID)
call grid_damage_spectral_init()
call grid_damage_spectral_init(num_grid)
end select
end do
call mechanical_init()
call mechanical_init(num_grid)
call config_numerics_deallocate()
!--------------------------------------------------------------------------------------------------

37
src/grid/grid_damage_spectral.f90
View File

@ -70,7 +70,9 @@ contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all neccessary fields and fills them with data
!--------------------------------------------------------------------------------------------------
subroutine grid_damage_spectral_init()
subroutine grid_damage_spectral_init(num_grid)
type(tDict), pointer, intent(in) :: num_grid
PetscInt, dimension(0:worldsize-1) :: localK
integer :: i, j, k, ce
@ -82,10 +84,12 @@ subroutine grid_damage_spectral_init()
integer(HID_T) :: fileHandle, groupHandle
real(pREAL), dimension(1,product(cells(1:2))*cells3) :: tempN
type(tDict), pointer :: &
num_grid, &
num_generic
num_grid_damage
character(len=pSTRLEN) :: &
snes_type
character(len=:), allocatable :: &
petsc_options
print'(/,1x,a)', '<<<+- grid_spectral_damage init -+>>>'
@ -96,25 +100,24 @@ subroutine grid_damage_spectral_init()
!-------------------------------------------------------------------------------------------------
! read numerical parameters and do sanity checks
num_grid => config_numerics%get_dict('grid',defaultVal=emptyDict)
num%itmax = num_grid%get_asInt ('itmax',defaultVal=250)
num%eps_damage_atol = num_grid%get_asReal ('eps_damage_atol',defaultVal=1.0e-2_pREAL)
num%eps_damage_rtol = num_grid%get_asReal ('eps_damage_rtol',defaultVal=1.0e-6_pREAL)
num_grid_damage => num_grid%get_dict('damage',defaultVal=emptyDict)
num_generic => config_numerics%get_dict('generic',defaultVal=emptyDict)
num%phi_min = num_generic%get_asReal('phi_min', defaultVal=1.0e-6_pREAL)
num%itmax = num_grid_damage%get_asInt('N_iter_max', defaultVal=250)
if (num%phi_min < 0.0_pREAL) call IO_error(301,ext_msg='phi_min')
if (num%itmax <= 1) call IO_error(301,ext_msg='itmax')
if (num%eps_damage_atol <= 0.0_pREAL) call IO_error(301,ext_msg='eps_damage_atol')
if (num%eps_damage_rtol <= 0.0_pREAL) call IO_error(301,ext_msg='eps_damage_rtol')
num%eps_damage_atol = num_grid_damage%get_asReal('eps_abs_phi',defaultVal=1.0e-2_pReal)
num%eps_damage_rtol = num_grid_damage%get_asReal('eps_rel_phi',defaultVal=1.0e-6_pReal)
num%phi_min = num_grid_damage%get_asReal('phi_min', defaultVal=1.0e-6_pReal)
if (num%phi_min < 0.0_pReal) call IO_error(301,ext_msg='phi_min')
if (num%itmax <= 1) call IO_error(301,ext_msg='N_iter_max')
if (num%eps_damage_atol <= 0.0_pReal) call IO_error(301,ext_msg='eps_abs_phi')
if (num%eps_damage_rtol <= 0.0_pReal) call IO_error(301,ext_msg='eps_rel_phi')
!--------------------------------------------------------------------------------------------------
! set default and user defined options for PETSc
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-damage_snes_type newtonls -damage_snes_mf &
&-damage_snes_ksp_ew -damage_ksp_type fgmres',err_PETSc)
CHKERRQ(err_PETSc)
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_grid%get_asStr('petsc_options',defaultVal=''),err_PETSc)
petsc_options = IO_postfix('-snes_type newtonls -snes_mf -snes_ksp_ew -ksp_type fgmres '// &
num_grid_damage%get_asStr('PETSc_options',defaultVal=''), '-','damage_')
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,petsc_options,err_PETSc)
CHKERRQ(err_PETSc)
!--------------------------------------------------------------------------------------------------

47
src/grid/grid_mech_FEM.f90
View File

@ -94,9 +94,11 @@ module grid_mechanical_FEM
contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all necessary fields and fills them with data, potentially from restart info
!> @brief Allocate all necessary fields and fills them with data, potentially from restart info.
!--------------------------------------------------------------------------------------------------
subroutine grid_mechanical_FEM_init
subroutine grid_mechanical_FEM_init(num_grid)
type(tDict), pointer, intent(in) :: num_grid
real(pREAL), parameter :: HGCoeff = 0.0e-2_pREAL
real(pREAL), parameter, dimension(4,8) :: &
@ -118,41 +120,42 @@ subroutine grid_mechanical_FEM_init
PetscInt, dimension(0:worldsize-1) :: localK
integer(HID_T) :: fileHandle, groupHandle
type(tDict), pointer :: &
num_grid
num_grid_mech
character(len=pSTRLEN) :: &
extmsg = ''
character(len=:), allocatable :: &
petsc_options
print'(/,1x,a)', '<<<+- grid_mechanical_FEM init -+>>>'; flush(IO_STDOUT)
!-------------------------------------------------------------------------------------------------
! read numerical parameters and do sanity checks
num_grid => config_numerics%get_dict('grid',defaultVal=emptyDict)
num_grid_mech => num_grid%get_dict('mechanical',defaultVal=emptyDict)
num%eps_div_atol = num_grid%get_asReal('eps_div_atol', defaultVal=1.0e-4_pREAL)
num%eps_div_rtol = num_grid%get_asReal('eps_div_rtol', defaultVal=5.0e-4_pREAL)
num%eps_stress_atol = num_grid%get_asReal('eps_stress_atol',defaultVal=1.0e3_pREAL)
num%eps_stress_rtol = num_grid%get_asReal('eps_stress_rtol',defaultVal=1.0e-3_pREAL)
num%itmin = num_grid%get_asInt ('itmin',defaultVal=1)
num%itmax = num_grid%get_asInt ('itmax',defaultVal=250)
num%eps_div_atol = num_grid_mech%get_asReal('eps_abs_div(P)',defaultVal=1.0e-4_pReal)
num%eps_div_rtol = num_grid_mech%get_asReal('eps_rel_div(P)',defaultVal=5.0e-4_pReal)
num%eps_stress_atol = num_grid_mech%get_asReal('eps_abs_P', defaultVal=1.0e3_pReal)
num%eps_stress_rtol = num_grid_mech%get_asReal('eps_rel_P', defaultVal=1.0e-3_pReal)
if (num%eps_div_atol <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_div_atol'
if (num%eps_div_rtol < 0.0_pREAL) extmsg = trim(extmsg)//' eps_div_rtol'
if (num%eps_stress_atol <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_stress_atol'
if (num%eps_stress_rtol < 0.0_pREAL) extmsg = trim(extmsg)//' eps_stress_rtol'
if (num%itmax <= 1) extmsg = trim(extmsg)//' itmax'
if (num%itmin > num%itmax .or. num%itmin < 1) extmsg = trim(extmsg)//' itmin'
num%itmin = num_grid_mech%get_asInt('N_iter_min',defaultVal=1)
num%itmax = num_grid_mech%get_asInt('N_iter_max',defaultVal=250)
if (num%eps_div_atol <= 0.0_pReal) extmsg = trim(extmsg)//' eps_abs_div(P)'
if (num%eps_div_rtol < 0.0_pReal) extmsg = trim(extmsg)//' eps_rel_div(P)'
if (num%eps_stress_atol <= 0.0_pReal) extmsg = trim(extmsg)//' eps_abs_P'
if (num%eps_stress_rtol < 0.0_pReal) extmsg = trim(extmsg)//' eps_rel_P'
if (num%itmax <= 1) extmsg = trim(extmsg)//' N_iter_max'
if (num%itmin > num%itmax .or. num%itmin < 1) extmsg = trim(extmsg)//' N_iter_min'
if (extmsg /= '') call IO_error(301,ext_msg=trim(extmsg))
!--------------------------------------------------------------------------------------------------
! set default and user defined options for PETSc
call PetscOptionsInsertString(PETSC_NULL_OPTIONS, &
'-mechanical_snes_type newtonls -mechanical_ksp_type fgmres &
&-mechanical_ksp_max_it 25', &
err_PETSc)
CHKERRQ(err_PETSc)
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_grid%get_asStr('petsc_options',defaultVal=''),err_PETSc)
petsc_options = IO_postfix('-snes_type newtonls -ksp_type fgmres -ksp_max_it 25 '// &
num_grid_mech%get_asStr('PETSc_options',defaultVal=''), '-','mechanical_')
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,petsc_options,err_PETSc)
CHKERRQ(err_PETSc)
!--------------------------------------------------------------------------------------------------

46
src/grid/grid_mech_spectral_basic.f90
View File

@ -22,7 +22,6 @@ module grid_mechanical_spectral_basic
use math
use rotations
use spectral_utilities
use config
use homogenization
use discretization_grid
@ -103,7 +102,9 @@ contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all necessary fields and fills them with data, potentially from restart info
!--------------------------------------------------------------------------------------------------
subroutine grid_mechanical_spectral_basic_init()
subroutine grid_mechanical_spectral_basic_init(num_grid)
type(tDict), pointer, intent(in) :: num_grid
real(pREAL), dimension(3,3,cells(1),cells(2),cells3) :: P
PetscErrorCode :: err_PETSc
@ -114,9 +115,12 @@ subroutine grid_mechanical_spectral_basic_init()
real(pREAL), dimension(3,3,product(cells(1:2))*cells3) :: temp33n
integer(HID_T) :: fileHandle, groupHandle
type(tDict), pointer :: &
num_grid
num_grid_fft, &
num_grid_mech
character(len=pSTRLEN) :: &
extmsg = ''
character(len=:), allocatable :: &
petsc_options
print'(/,1x,a)', '<<<+- grid_mechanical_spectral_basic init -+>>>'; flush(IO_STDOUT)
@ -129,30 +133,32 @@ subroutine grid_mechanical_spectral_basic_init()
!-------------------------------------------------------------------------------------------------
! read numerical parameters and do sanity checks
num_grid => config_numerics%get_dict('grid',defaultVal=emptyDict)
num_grid_fft => num_grid%get_dict('FFT',defaultVal=emptyDict)
num_grid_mech => num_grid%get_dict('mechanical',defaultVal=emptyDict)
num%update_gamma = num_grid%get_asBool('update_gamma', defaultVal=.false.)
num%eps_div_atol = num_grid%get_asReal('eps_div_atol', defaultVal=1.0e-4_pREAL)
num%eps_div_rtol = num_grid%get_asReal('eps_div_rtol', defaultVal=5.0e-4_pREAL)
num%eps_stress_atol = num_grid%get_asReal('eps_stress_atol',defaultVal=1.0e3_pREAL)
num%eps_stress_rtol = num_grid%get_asReal('eps_stress_rtol',defaultVal=1.0e-3_pREAL)
num%itmin = num_grid%get_asInt ('itmin',defaultVal=1)
num%itmax = num_grid%get_asInt ('itmax',defaultVal=250)
num%itmin = num_grid_mech%get_asInt ('N_iter_min',defaultVal=1)
num%itmax = num_grid_mech%get_asInt ('N_iter_max',defaultVal=250)
if (num%eps_div_atol <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_div_atol'
if (num%eps_div_rtol < 0.0_pREAL) extmsg = trim(extmsg)//' eps_div_rtol'
if (num%eps_stress_atol <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_stress_atol'
if (num%eps_stress_rtol < 0.0_pREAL) extmsg = trim(extmsg)//' eps_stress_rtol'
if (num%itmax <= 1) extmsg = trim(extmsg)//' itmax'
if (num%itmin > num%itmax .or. num%itmin < 1) extmsg = trim(extmsg)//' itmin'
num%update_gamma = num_grid_fft%get_asBool ('update_gamma',defaultVal=.false.)
num%eps_div_atol = num_grid_mech%get_asReal('eps_abs_div(P)', defaultVal=1.0e-4_pReal)
num%eps_div_rtol = num_grid_mech%get_asReal('eps_rel_div(P)', defaultVal=5.0e-4_pReal)
num%eps_stress_atol = num_grid_mech%get_asReal('eps_abs_P', defaultVal=1.0e3_pReal)
num%eps_stress_rtol = num_grid_mech%get_asReal('eps_rel_P', defaultVal=1.0e-3_pReal)
if (num%eps_div_atol <= 0.0_pReal) extmsg = trim(extmsg)//' eps_abs_div(P)'
if (num%eps_div_rtol < 0.0_pReal) extmsg = trim(extmsg)//' eps_rel_div(P)'
if (num%eps_stress_atol <= 0.0_pReal) extmsg = trim(extmsg)//' eps_abs_P'
if (num%eps_stress_rtol < 0.0_pReal) extmsg = trim(extmsg)//' eps_rel_P'
if (num%itmax <= 1) extmsg = trim(extmsg)//' N_iter_max'
if (num%itmin > num%itmax .or. num%itmin < 1) extmsg = trim(extmsg)//' N_iter_min'
if (extmsg /= '') call IO_error(301,ext_msg=trim(extmsg))
!--------------------------------------------------------------------------------------------------
! set default and user defined options for PETSc
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mechanical_snes_type ngmres',err_PETSc)
CHKERRQ(err_PETSc)
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_grid%get_asStr('petsc_options',defaultVal=''),err_PETSc)
petsc_options = IO_postfix('-snes_type ngmres '//num_grid_mech%get_asStr('PETSc_options',defaultVal=''), '-','mechanical_')
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,petsc_options,err_PETSc)
CHKERRQ(err_PETSc)
!--------------------------------------------------------------------------------------------------

64
src/grid/grid_mech_spectral_polarisation.f90
View File

@ -112,9 +112,11 @@ module grid_mechanical_spectral_polarisation
contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all necessary fields and fills them with data, potentially from restart info
!> @brief Allocate all necessary fields and fills them with data, potentially from restart info.
!--------------------------------------------------------------------------------------------------
subroutine grid_mechanical_spectral_polarisation_init()
subroutine grid_mechanical_spectral_polarisation_init(num_grid)
type(tDict), pointer, intent(in) :: num_grid
real(pREAL), dimension(3,3,cells(1),cells(2),cells3) :: P
PetscErrorCode :: err_PETSc
@ -127,9 +129,12 @@ subroutine grid_mechanical_spectral_polarisation_init()
real(pREAL), dimension(3,3,product(cells(1:2))*cells3) :: temp33n
integer(HID_T) :: fileHandle, groupHandle
type(tDict), pointer :: &
num_grid
num_grid_fft,&
num_grid_mech
character(len=pSTRLEN) :: &
extmsg = ''
character(len=:), allocatable :: &
petsc_options
print '(/,1x,a)', '<<<+- grid_mechanical_spectral_polarization init -+>>>'; flush(IO_STDOUT)
@ -137,41 +142,42 @@ subroutine grid_mechanical_spectral_polarisation_init()
print '(/,1x,a)', 'P. Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
print '( 1x,a)', 'https://doi.org/10.1016/j.ijplas.2014.02.006'
!-------------------------------------------------------------------------------------------------
! read numerical parameters and do sanity checks
num_grid => config_numerics%get_dict('grid',defaultVal=emptyDict)
num_grid_fft => num_grid%get_dict('FFT',defaultVal=emptyDict)
num_grid_mech => num_grid%get_dict('mechanical',defaultVal=emptyDict)
num%update_gamma = num_grid%get_asBool('update_gamma', defaultVal=.false.)
num%eps_div_atol = num_grid%get_asReal('eps_div_atol', defaultVal=1.0e-4_pREAL)
num%eps_div_rtol = num_grid%get_asReal('eps_div_rtol', defaultVal=5.0e-4_pREAL)
num%eps_curl_atol = num_grid%get_asReal('eps_curl_atol', defaultVal=1.0e-10_pREAL)
num%eps_curl_rtol = num_grid%get_asReal('eps_curl_rtol', defaultVal=5.0e-4_pREAL)
num%eps_stress_atol = num_grid%get_asReal('eps_stress_atol',defaultVal=1.0e3_pREAL)
num%eps_stress_rtol = num_grid%get_asReal('eps_stress_rtol',defaultVal=1.0e-3_pREAL)
num%itmin = num_grid%get_asInt ('itmin', defaultVal=1)
num%itmax = num_grid%get_asInt ('itmax', defaultVal=250)
num%alpha = num_grid%get_asReal('alpha', defaultVal=1.0_pREAL)
num%beta = num_grid%get_asReal('beta', defaultVal=1.0_pREAL)
num%update_gamma = num_grid_fft%get_asBool ('update_gamma',defaultVal=.false.)
if (num%eps_div_atol <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_div_atol'
if (num%eps_div_rtol < 0.0_pREAL) extmsg = trim(extmsg)//' eps_div_rtol'
if (num%eps_curl_atol <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_curl_atol'
if (num%eps_curl_rtol < 0.0_pREAL) extmsg = trim(extmsg)//' eps_curl_rtol'
if (num%eps_stress_atol <= 0.0_pREAL) extmsg = trim(extmsg)//' eps_stress_atol'
if (num%eps_stress_rtol < 0.0_pREAL) extmsg = trim(extmsg)//' eps_stress_rtol'
if (num%itmax <= 1) extmsg = trim(extmsg)//' itmax'
if (num%itmin > num%itmax .or. num%itmin < 1) extmsg = trim(extmsg)//' itmin'
if (num%alpha <= 0.0_pREAL .or. num%alpha > 2.0_pREAL) extmsg = trim(extmsg)//' alpha'
if (num%beta < 0.0_pREAL .or. num%beta > 2.0_pREAL) extmsg = trim(extmsg)//' beta'
num%eps_div_atol = num_grid_mech%get_asReal('eps_abs_div(P)', defaultVal=1.0e-4_pReal)
num%eps_div_rtol = num_grid_mech%get_asReal('eps_rel_div(P)', defaultVal=5.0e-4_pReal)
num%eps_curl_atol = num_grid_mech%get_asReal('eps_abs_curl(F)',defaultVal=1.0e-10_pReal)
num%eps_curl_rtol = num_grid_mech%get_asReal('eps_rel_curl(F)',defaultVal=5.0e-4_pReal)
num%eps_stress_atol = num_grid_mech%get_asReal('eps_abs_P', defaultVal=1.0e3_pReal)
num%eps_stress_rtol = num_grid_mech%get_asReal('eps_rel_P', defaultVal=1.0e-3_pReal)
num%alpha = num_grid_mech%get_asReal('alpha', defaultVal=1.0_pReal)
num%beta = num_grid_mech%get_asReal('beta', defaultVal=1.0_pReal)
num%itmin = num_grid_mech%get_asInt ('N_iter_min',defaultVal=1)
num%itmax = num_grid_mech%get_asInt ('N_iter_max',defaultVal=250)
if (num%eps_div_atol <= 0.0_pReal) extmsg = trim(extmsg)//' eps_abs_div(P)'
if (num%eps_div_rtol < 0.0_pReal) extmsg = trim(extmsg)//' eps_rel_div(P)'
if (num%eps_curl_atol <= 0.0_pReal) extmsg = trim(extmsg)//' eps_abs_curl(F)'
if (num%eps_curl_rtol < 0.0_pReal) extmsg = trim(extmsg)//' eps_rel_curl(F)'
if (num%eps_stress_atol <= 0.0_pReal) extmsg = trim(extmsg)//' eps_abs_P'
if (num%eps_stress_rtol < 0.0_pReal) extmsg = trim(extmsg)//' eps_rel_P'
if (num%itmax <= 1) extmsg = trim(extmsg)//' N_iter_max'
if (num%itmin > num%itmax .or. num%itmin < 1) extmsg = trim(extmsg)//' N_iter_min'
if (num%alpha <= 0.0_pReal .or. num%alpha > 2.0_pReal) extmsg = trim(extmsg)//' alpha'
if (num%beta < 0.0_pReal .or. num%beta > 2.0_pReal) extmsg = trim(extmsg)//' beta'
if (extmsg /= '') call IO_error(301,ext_msg=trim(extmsg))
!--------------------------------------------------------------------------------------------------
! set default and user defined options for PETSc
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mechanical_snes_type ngmres',err_PETSc)
CHKERRQ(err_PETSc)
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_grid%get_asStr('petsc_options',defaultVal=''),err_PETSc)
petsc_options = IO_postfix('-snes_type ngmres '//num_grid_mech%get_asStr('PETSc_options',defaultVal=''), '-','mechanical_')
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,petsc_options,err_PETSc)
CHKERRQ(err_PETSc)
!--------------------------------------------------------------------------------------------------

32
src/grid/grid_thermal_spectral.f90
View File

@ -69,7 +69,9 @@ contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all neccessary fields and fills them with data
!--------------------------------------------------------------------------------------------------
subroutine grid_thermal_spectral_init()
subroutine grid_thermal_spectral_init(num_grid)
type(tDict), pointer, intent(in) :: num_grid
PetscInt, dimension(0:worldsize-1) :: localK
integer :: i, j, k, ce
@ -80,7 +82,10 @@ subroutine grid_thermal_spectral_init()
integer(HID_T) :: fileHandle, groupHandle
real(pREAL), dimension(1,product(cells(1:2))*cells3) :: tempN
type(tDict), pointer :: &
num_grid
num_grid_thermal
character(len=:), allocatable :: &
petsc_options
print'(/,1x,a)', '<<<+- grid_thermal_spectral init -+>>>'
@ -91,21 +96,22 @@ subroutine grid_thermal_spectral_init()
!-------------------------------------------------------------------------------------------------
! read numerical parameters and do sanity checks
num_grid => config_numerics%get_dict('grid',defaultVal=emptyDict)
num%itmax = num_grid%get_asInt ('itmax', defaultVal=250)
num%eps_thermal_atol = num_grid%get_asReal('eps_thermal_atol',defaultVal=1.0e-2_pREAL)
num%eps_thermal_rtol = num_grid%get_asReal('eps_thermal_rtol',defaultVal=1.0e-6_pREAL)
num_grid_thermal => num_grid%get_dict('thermal',defaultVal=emptyDict)
if (num%itmax <= 1) call IO_error(301,ext_msg='itmax')
if (num%eps_thermal_atol <= 0.0_pREAL) call IO_error(301,ext_msg='eps_thermal_atol')
if (num%eps_thermal_rtol <= 0.0_pREAL) call IO_error(301,ext_msg='eps_thermal_rtol')
num%itmax = num_grid_thermal%get_asInt('N_iter_max', defaultVal=250)
num%eps_thermal_atol = num_grid_thermal%get_asReal('eps_abs_T', defaultVal=1.0e-2_pReal)
num%eps_thermal_rtol = num_grid_thermal%get_asReal('eps_rel_T', defaultVal=1.0e-6_pReal)
if (num%itmax <= 1) call IO_error(301,ext_msg='N_iter_max')
if (num%eps_thermal_atol <= 0.0_pReal) call IO_error(301,ext_msg='eps_abs_T')
if (num%eps_thermal_rtol <= 0.0_pReal) call IO_error(301,ext_msg='eps_rel_T')
!--------------------------------------------------------------------------------------------------
! set default and user defined options for PETSc
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-thermal_snes_type newtonls -thermal_snes_mf &
&-thermal_snes_ksp_ew -thermal_ksp_type fgmres',err_PETSc)
CHKERRQ(err_PETSc)
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_grid%get_asStr('petsc_options',defaultVal=''),err_PETSc)
petsc_options = IO_postfix('-snes_type newtonls -snes_mf -snes_ksp_ew -ksp_type fgmres '// &
num_grid_thermal%get_asStr('PETSc_options',defaultVal=''), '-','thermal_')
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,petsc_options,err_PETSc)
CHKERRQ(err_PETSc)
!--------------------------------------------------------------------------------------------------

23
src/grid/spectral_utilities.f90
View File

@ -146,8 +146,9 @@ subroutine spectral_utilities_init()
vectorSize = 3_C_INTPTR_T, &
tensorSize = 9_C_INTPTR_T
type(tDict) , pointer :: &
num_grid
num_solver, &
num_grid, &
num_grid_fft
print'(/,1x,a)', '<<<+- spectral_utilities init -+>>>'
@ -163,8 +164,10 @@ subroutine spectral_utilities_init()
print'( 1x,a)', 'P. Shanthraj et al., Handbook of Mechanics of Materials, 2019'
print'( 1x,a)', 'https://doi.org/10.1007/978-981-10-6855-3_80'
num_solver => config_numerics%get_dict('solver',defaultVal=emptyDict)
num_grid => num_solver%get_dict('grid',defaultVal=emptyDict)
num_grid_fft => num_grid%get_dict('FFT',defaultVal=emptyDict)
num_grid => config_numerics%get_dict('grid',defaultVal=emptyDict)
call PetscOptionsClear(PETSC_NULL_OPTIONS,err_PETSc)
CHKERRQ(err_PETSc)
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,&
@ -174,13 +177,13 @@ subroutine spectral_utilities_init()
cells1Red = cells(1)/2 + 1
wgt = real(product(cells),pREAL)**(-1)
num%memory_efficient = num_grid%get_asInt('memory_efficient', defaultVal=1) > 0 ! ToDo: should be logical in YAML file
num%divergence_correction = num_grid%get_asInt('divergence_correction', defaultVal=2)
num%memory_efficient = num_grid_fft%get_asBool('memory_efficient', defaultVal=.true.)
num%divergence_correction = num_grid_fft%get_asInt('divergence_correction', defaultVal=2)
if (num%divergence_correction < 0 .or. num%divergence_correction > 2) &
call IO_error(301,ext_msg='divergence_correction')
select case (num_grid%get_asStr('derivative',defaultVal='continuous'))
select case (num_grid_fft%get_asStr('derivative',defaultVal='continuous'))
case ('continuous')
spectral_derivative_ID = DERIVATIVE_CONTINUOUS_ID
case ('central_difference')
@ -188,7 +191,7 @@ subroutine spectral_utilities_init()
case ('FWBW_difference')
spectral_derivative_ID = DERIVATIVE_FWBW_DIFF_ID
case default
call IO_error(892,ext_msg=trim(num_grid%get_asStr('derivative')))
call IO_error(892,ext_msg=trim(num_grid_fft%get_asStr('derivative')))
end select
!--------------------------------------------------------------------------------------------------
@ -209,7 +212,7 @@ subroutine spectral_utilities_init()
scaledGeomSize = geomSize
end if
select case(IO_lc(num_grid%get_asStr('fftw_plan_mode',defaultVal='FFTW_MEASURE')))
select case(IO_lc(num_grid_fft%get_asStr('plan_mode',defaultVal='FFTW_MEASURE')))
case('fftw_estimate') ! ordered from slow execution (but fast plan creation) to fast execution
FFTW_planner_flag = FFTW_ESTIMATE
case('fftw_measure')
@ -219,14 +222,14 @@ subroutine spectral_utilities_init()
case('fftw_exhaustive')
FFTW_planner_flag = FFTW_EXHAUSTIVE
case default
call IO_warning(47,'using default FFTW_MEASURE instead of "'//trim(num_grid%get_asStr('fftw_plan_mode'))//'"')
call IO_warning(47,'using default FFTW_MEASURE instead of "'//trim(num_grid_fft%get_asStr('plan_mode'))//'"')
FFTW_planner_flag = FFTW_MEASURE
end select
!--------------------------------------------------------------------------------------------------
! 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'
call fftw_set_timelimit(num_grid%get_asReal('fftw_timelimit',defaultVal=300.0_pREAL))
call fftw_set_timelimit(num_grid_fft%get_asReal('fftw_timelimit',defaultVal=300.0_pREAL))
print'(/,1x,a)', 'FFTW initialized'; flush(IO_STDOUT)