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DAMASK_EICMD
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polishing

This commit is contained in:
Sharan Roongta 2020-06-29 17:05:11 +02:00
parent fd8994786e
commit 0b2d62e98d
10 changed files with 38 additions and 76 deletions
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22
src/grid/DAMASK_grid.f90
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@ -73,13 +73,9 @@ program DAMASK_grid
character(len=pStringLen) :: &
incInfo, &
loadcase_string
type :: tNumerics
integer :: &
maxCutBack, & !< max number of cut backs
stagItMax !< max number of field level staggered iterations
end type tNumerics
type(tNumerics) :: num
integer :: &
maxCutBack, & !< max number of cut backs
stagItMax !< max number of field level staggered iterations
type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases
type(tLoadCase) :: newLoadCase
type(tSolutionState), allocatable, dimension(:) :: solres
@ -119,11 +115,11 @@ program DAMASK_grid
!-------------------------------------------------------------------------------------------------
! reading field paramters from numerics file and do sanity checks
num_grid => numerics_root%get('grid', defaultVal=emptyDict)
num%stagItMax = num_grid%get_asInt('maxStaggeredIter',defaultVal=10)
num%maxCutBack = num_grid%get_asInt('maxCutBack',defaultVal=3)
stagItMax = num_grid%get_asInt('maxStaggeredIter',defaultVal=10)
maxCutBack = num_grid%get_asInt('maxCutBack',defaultVal=3)
if (num%stagItMax < 0) call IO_error(301,ext_msg='maxStaggeredIter')
if (num%maxCutBack < 0) call IO_error(301,ext_msg='maxCutBack')
if (stagItMax < 0) call IO_error(301,ext_msg='maxStaggeredIter')
if (maxCutBack < 0) call IO_error(301,ext_msg='maxCutBack')
!--------------------------------------------------------------------------------------------------
! assign mechanics solver depending on selected type
@ -453,7 +449,7 @@ program DAMASK_grid
enddo
stagIter = stagIter + 1
stagIterate = stagIter < num%stagItMax &
stagIterate = stagIter < stagItMax &
.and. all(solres(:)%converged) &
.and. .not. all(solres(:)%stagConverged) ! stationary with respect to staggered iteration
enddo
@ -472,7 +468,7 @@ program DAMASK_grid
solres%converged, solres%iterationsNeeded
flush(statUnit)
endif
elseif (cutBackLevel < num%maxCutBack) then ! further cutbacking tolerated?
elseif (cutBackLevel < maxCutBack) then ! further cutbacking tolerated?
cutBack = .true.
stepFraction = (stepFraction - 1) * subStepFactor ! adjust to new denominator
cutBackLevel = cutBackLevel + 1

5
src/grid/grid_damage_spectral.f90
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@ -28,8 +28,6 @@ module grid_damage_spectral
residualStiffness, & !< non-zero residual damage
eps_damage_atol, & !< absolute tolerance for damage evolution
eps_damage_rtol !< relative tolerance for damage evolution
character(len=:), allocatable :: &
petsc_options
end type tNumerics
type(tNumerics), private :: num
@ -86,7 +84,6 @@ subroutine grid_damage_spectral_init
!-------------------------------------------------------------------------------------------------
! read numerical parameters and do sanity checks
num_grid => numerics_root%get('grid',defaultVal=emptyDict)
num%petsc_options = num_grid%get_asString('petsc_options',defaultVal='')
num%itmax = num_grid%get_asInt ('itmax',defaultVal=250)
num%eps_damage_atol = num_grid%get_asFloat ('eps_damage_atol',defaultVal=1.0e-2_pReal)
num%eps_damage_rtol = num_grid%get_asFloat ('eps_damage_rtol',defaultVal=1.0e-6_pReal)
@ -104,7 +101,7 @@ subroutine grid_damage_spectral_init
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,'-damage_snes_type newtonls -damage_snes_mf &
&-damage_snes_ksp_ew -damage_ksp_type fgmres',ierr)
CHKERRQ(ierr)
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,num%petsc_options,ierr)
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,num_grid%get_asString('petsc_options',defaultVal=''),ierr)
CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------

5
src/grid/grid_mech_FEM.f90
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@ -42,8 +42,6 @@ module grid_mech_FEM
eps_div_rtol, & !< relative tolerance for equilibrium
eps_stress_atol, & !< absolute tolerance for fullfillment of stress BC
eps_stress_rtol !< relative tolerance for fullfillment of stress BC
character(len=:), allocatable :: &
petsc_options
end type tNumerics
type(tNumerics), private :: num
@ -127,7 +125,6 @@ subroutine grid_mech_FEM_init
!-------------------------------------------------------------------------------------------------
! read numerical parameter and do sanity checks
num_grid => numerics_root%get('grid',defaultVal=emptyDict)
num%petsc_options = num_grid%get_asString('petsc_options', defaultVal='')
num%eps_div_atol = num_grid%get_asFloat ('eps_div_atol', defaultVal=1.0e-4_pReal)
num%eps_div_rtol = num_grid%get_asFloat ('eps_div_rtol', defaultVal=5.0e-4_pReal)
num%eps_stress_atol = num_grid%get_asFloat ('eps_stress_atol', defaultVal=1.0e3_pReal)
@ -148,7 +145,7 @@ subroutine grid_mech_FEM_init
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,'-mech_snes_type newtonls -mech_ksp_type fgmres &
&-mech_ksp_max_it 25 -mech_pc_type ml -mech_mg_levels_ksp_type chebyshev',ierr)
CHKERRQ(ierr)
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,num%petsc_options,ierr)
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,num_grid%get_asString('petsc_options',defaultVal=''),ierr)
CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------

5
src/grid/grid_mech_spectral_basic.f90
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@ -40,8 +40,6 @@ module grid_mech_spectral_basic
eps_div_rtol, & !< relative tolerance for equilibrium
eps_stress_atol, & !< absolute tolerance for fullfillment of stress BC
eps_stress_rtol !< relative tolerance for fullfillment of stress BC
character(len=:), allocatable :: &
petsc_options
end type tNumerics
type(tNumerics) :: num ! numerics parameters. Better name?
@ -122,7 +120,6 @@ subroutine grid_mech_spectral_basic_init
! read numerical parameters and do sanity checks
num_grid => numerics_root%get('grid',defaultVal=emptyDict)
num%petsc_options = num_grid%get_asString ('petsc_options', defaultVal='')
num%update_gamma = num_grid%get_asBool ('update_gamma', defaultVal=.false.)
num%eps_div_atol = num_grid%get_asFloat ('eps_div_atol', defaultVal=1.0e-4_pReal)
num%eps_div_rtol = num_grid%get_asFloat ('eps_div_rtol', defaultVal=5.0e-4_pReal)
@ -143,7 +140,7 @@ subroutine grid_mech_spectral_basic_init
! set default and user defined options for PETSc
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,'-mech_snes_type ngmres',ierr)
CHKERRQ(ierr)
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,num%petsc_options,ierr)
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,num_grid%get_asString('petsc_options',defaultVal=''),ierr)
CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------

5
src/grid/grid_mech_spectral_polarisation.f90
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@ -33,8 +33,6 @@ module grid_mech_spectral_polarisation
type :: tNumerics
logical :: update_gamma !< update gamma operator with current stiffness
character(len=:), allocatable :: &
petsc_options
integer :: &
itmin, & !< minimum number of iterations
itmax !< maximum number of iterations
@ -133,7 +131,6 @@ subroutine grid_mech_spectral_polarisation_init
! read numerical parameters
num_grid => numerics_root%get('grid',defaultVal=emptyDict)
num%petsc_options = num_grid%get_asString('petsc_options', defaultVal='')
num%update_gamma = num_grid%get_asBool ('update_gamma', defaultVal=.false.)
num%eps_div_atol = num_grid%get_asFloat ('eps_div_atol', defaultVal=1.0e-4_pReal)
num%eps_div_rtol = num_grid%get_asFloat ('eps_div_rtol', defaultVal=5.0e-4_pReal)
@ -161,7 +158,7 @@ subroutine grid_mech_spectral_polarisation_init
! set default and user defined options for PETSc
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,'-mech_snes_type ngmres',ierr)
CHKERRQ(ierr)
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,num%petsc_options,ierr)
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,num_grid%get_asString('petsc_options',defaultVal=''),ierr)
CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------

18
src/grid/grid_thermal_spectral.f90
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@ -27,11 +27,11 @@ module grid_thermal_spectral
type(tSolutionParams) :: params
type :: tNumerics
integer :: &
itmax !< maximum number of iterations
real(pReal) :: &
eps_thermal_atol, & !< absolute tolerance for thermal equilibrium
eps_thermal_rtol !< relative tolerance for thermal equilibrium
character(len=:), allocatable :: &
petsc_options
end type tNumerics
type(tNumerics) :: num
@ -81,10 +81,11 @@ subroutine grid_thermal_spectral_init
!-------------------------------------------------------------------------------------------------
! read numerical parameter and do sanity checks
num_grid => numerics_root%get('grid',defaultVal=emptyDict)
num%petsc_options = num_grid%get_asString('petsc_options',defaultVal='')
num%itmax = num_grid%get_asInt ('itmax', defaultVal=250)
num%eps_thermal_atol = num_grid%get_asFloat ('eps_thermal_atol',defaultVal=1.0e-2_pReal)
num%eps_thermal_rtol = num_grid%get_asFloat ('eps_thermal_rtol',defaultVal=1.0e-6_pReal)
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')
@ -155,8 +156,7 @@ function grid_thermal_spectral_solution(timeinc,timeinc_old) result(solution)
real(pReal), intent(in) :: &
timeinc, & !< increment in time for current solution
timeinc_old !< increment in time of last increment
integer :: i, j, k, cell, &
itmax !< maximum number of iterations
integer :: i, j, k, cell
type(tSolutionState) :: solution
class(tNode), pointer :: &
num_grid
@ -166,12 +166,6 @@ function grid_thermal_spectral_solution(timeinc,timeinc_old) result(solution)
PetscErrorCode :: ierr
SNESConvergedReason :: reason
!-------------------------------------------------------------------
! reading numerical parameter and do sanity check !TODO: MD: Not Here
num_grid => numerics_root%get('grid',defaultVal=emptyDict)
itmax = num_grid%get_asInt('itmax',defaultVal=250)
if (itmax <= 1) call IO_error(301,ext_msg='itmax')
solution%converged =.false.
!--------------------------------------------------------------------------------------------------
@ -184,7 +178,7 @@ function grid_thermal_spectral_solution(timeinc,timeinc_old) result(solution)
if (reason < 1) then
solution%converged = .false.
solution%iterationsNeeded = itmax
solution%iterationsNeeded = num%itmax
else
solution%converged = .true.
solution%iterationsNeeded = totalIter

5
src/grid/spectral_utilities.f90
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@ -120,8 +120,7 @@ module spectral_utilities
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
petsc_options
FFTW_plan_mode !< FFTW plan mode, see www.fftw.org
end type tNumerics
type(tNumerics), private :: num ! numerics parameters. Better name?
@ -215,7 +214,7 @@ subroutine spectral_utilities_init
if(debugPETSc) write(6,'(3(/,a),/)') &
' Initializing PETSc with debug options: ', &
trim(PETScDebug), &
' add more using the PETSc_Options keyword in numerics.config '; flush(6)
' add more using the PETSc_Options keyword in numerics.yaml '; flush(6)
num_grid => numerics_root%get('grid',defaultVal=emptyDict)

18
src/math.f90
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@ -72,20 +72,11 @@ module math
3,2, &
3,3 &
],shape(MAPPLAIN)) !< arrangement in Plain notation
type, private :: tNumerics
integer :: &
randomSeed !< fixed seeding for pseudo-random number generator, Default 0: use random seed
end type
type(tNumerics), private :: num
interface math_eye
module procedure math_identity2nd
end interface math_eye
! ToDo: Since random seed is needed only once, I would simplify here
!---------------------------------------------------------------------------------------------------
private :: &
selfTest
@ -99,7 +90,8 @@ subroutine math_init
real(pReal), dimension(4) :: randTest
integer :: &
randSize
randSize, &
randomSeed !< fixed seeding for pseudo-random number generator, Default 0: use random seed
integer, dimension(:), allocatable :: randInit
class(tNode), pointer :: &
num_generic
@ -107,12 +99,12 @@ subroutine math_init
write(6,'(/,a)') ' <<<+- math init -+>>>'; flush(6)
num_generic => numerics_root%get('generic',defaultVal=emptyDict)
num%randomSeed = num_generic%get_asInt('random_seed', defaultVal = 0)
randomSeed = num_generic%get_asInt('random_seed', defaultVal = 0)
call random_seed(size=randSize)
allocate(randInit(randSize))
if (num%randomSeed > 0) then
randInit = num%randomSeed
if (randomSeed > 0) then
randInit = randomSeed
else
call random_seed()
call random_seed(get = randInit)

22
src/mesh/DAMASK_mesh.f90
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@ -63,13 +63,9 @@ program DAMASK_mesh
character(len=pStringLen) :: &
incInfo, &
loadcase_string
type :: tNumerics
integer :: &
stagItMax, & !< max number of field level staggered iterations
maxCutBack !< max number of cutbacks
end type tNumerics
type(tNumerics) :: num
integer :: &
stagItMax, & !< max number of field level staggered iterations
maxCutBack !< max number of cutbacks
type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases
type(tSolutionState), allocatable, dimension(:) :: solres
@ -87,11 +83,11 @@ program DAMASK_mesh
!---------------------------------------------------------------------
! reading field information from numerics file and do sanity checks
num_mesh => numerics_root%get('mesh', defaultVal=emptyDict)
num%stagItMax = num_mesh%get_asInt('maxStaggeredIter',defaultVal=10)
num%maxCutBack = num_mesh%get_asInt('maxCutBack',defaultVal=3)
stagItMax = num_mesh%get_asInt('maxStaggeredIter',defaultVal=10)
maxCutBack = num_mesh%get_asInt('maxCutBack',defaultVal=3)
if (num%stagItMax < 0) call IO_error(301,ext_msg='maxStaggeredIter')
if (num%maxCutBack < 0) call IO_error(301,ext_msg='maxCutBack')
if (stagItMax < 0) call IO_error(301,ext_msg='maxStaggeredIter')
if (maxCutBack < 0) call IO_error(301,ext_msg='maxCutBack')
! reading basic information from load case file and allocate data structure containing load cases
call DMGetDimension(geomMesh,dimPlex,ierr); CHKERRA(ierr) !< dimension of mesh (2D or 3D)
@ -333,7 +329,7 @@ program DAMASK_mesh
enddo
stagIter = stagIter + 1
stagIterate = stagIter < num%stagItMax &
stagIterate = stagIter < stagItMax &
.and. all(solres(:)%converged) &
.and. .not. all(solres(:)%stagConverged) ! stationary with respect to staggered iteration
enddo
@ -341,7 +337,7 @@ program DAMASK_mesh
! check solution
cutBack = .False.
if(.not. all(solres(:)%converged .and. solres(:)%stagConverged)) then ! no solution found
if (cutBackLevel < num%maxCutBack) then ! do cut back
if (cutBackLevel < maxCutBack) then ! do cut back
write(6,'(/,a)') ' cut back detected'
cutBack = .True.
stepFraction = (stepFraction - 1) * subStepFactor ! adjust to new denominator

9
src/mesh/FEM_utilities.f90
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@ -106,15 +106,12 @@ subroutine FEM_utilities_init
class(tNode), pointer :: &
num_mesh
integer :: structOrder !< order of displacement shape functions
character(len=:), allocatable :: &
petsc_options
PetscErrorCode :: ierr
write(6,'(/,a)') ' <<<+- DAMASK_FEM_utilities init -+>>>'
num_mesh => numerics_root%get('mesh',defaultVal=emptyDict)
structOrder = num_mesh%get_asInt ('structOrder', defaultVal = 2)
petsc_options = num_mesh%get_asString('petsc_options', defaultVal='')
structOrder = num_mesh%get_asInt('structOrder', defaultVal = 2)
!--------------------------------------------------------------------------------------------------
! set debugging parameters
@ -122,7 +119,7 @@ subroutine FEM_utilities_init
if(debugPETSc) write(6,'(3(/,a),/)') &
' Initializing PETSc with debug options: ', &
trim(PETScDebug), &
' add more using the PETSc_Options keyword in numerics.config '
' add more using the PETSc_Options keyword in numerics.yaml '
flush(6)
call PetscOptionsClear(PETSC_NULL_OPTIONS,ierr)
CHKERRQ(ierr)
@ -135,7 +132,7 @@ subroutine FEM_utilities_init
&-mech_pc_type ml -mech_mg_levels_ksp_type chebyshev &
&-mech_mg_levels_pc_type sor -mech_pc_ml_nullspace user',ierr)
CHKERRQ(ierr)
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,petsc_options,ierr)
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_mesh%get_asString('petsc_options',defaultVal=''),ierr)
CHKERRQ(ierr)
write(petsc_optionsOrder,'(a,i0)') '-mechFE_petscspace_degree ', structOrder
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_optionsOrder),ierr)