752 lines
34 KiB
Fortran
752 lines
34 KiB
Fortran
!--------------------------------------------------------------------------------------------------
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!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief Utilities used by the FEM solver
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!--------------------------------------------------------------------------------------------------
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module FEM_utilities
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#include <petsc/finclude/petsc.h>
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use prec, only: pReal, pInt
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use PETScdmda
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use PETScis
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implicit none
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private
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!--------------------------------------------------------------------------------------------------
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!
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logical, public :: cutBack = .false. !< cut back of BVP solver in case convergence is not achieved or a material point is terminally ill
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integer(pInt), public, parameter :: maxFields = 6_pInt
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integer(pInt), public :: nActiveFields = 0_pInt
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!--------------------------------------------------------------------------------------------------
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! grid related information information
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real(pReal), public :: wgt !< weighting factor 1/Nelems
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real(pReal), public :: wgtDof !< weighting factor 1/Nelems
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real(pReal), public :: C_volAvg(3,3,3,3)
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!--------------------------------------------------------------------------------------------------
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! output data
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PetscViewer, public :: resUnit
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Vec, public :: coordinatesVec
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Vec, allocatable, public :: homogenizationResultsVec(:), &
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crystalliteResultsVec(:,:), &
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phaseResultsVec(:,:)
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!--------------------------------------------------------------------------------------------------
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! field labels information
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character(len=*), parameter, public :: &
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FIELD_MECH_label = 'mechanical', &
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FIELD_THERMAL_label = 'thermal', &
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FIELD_DAMAGE_label = 'damage', &
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FIELD_SOLUTE_label = 'solute', &
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FIELD_MGTWIN_label = 'mgtwin'
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enum, bind(c)
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enumerator :: FIELD_UNDEFINED_ID, &
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FIELD_MECH_ID, &
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FIELD_THERMAL_ID, &
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FIELD_DAMAGE_ID, &
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FIELD_SOLUTE_ID, &
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FIELD_MGTWIN_ID
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end enum
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enum, bind(c)
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enumerator :: COMPONENT_UNDEFINED_ID, &
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COMPONENT_MECH_X_ID, &
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COMPONENT_MECH_Y_ID, &
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COMPONENT_MECH_Z_ID, &
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COMPONENT_THERMAL_T_ID, &
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COMPONENT_DAMAGE_PHI_ID, &
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COMPONENT_SOLUTE_CV_ID, &
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COMPONENT_SOLUTE_CVPOT_ID, &
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COMPONENT_SOLUTE_CH_ID, &
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COMPONENT_SOLUTE_CHPOT_ID, &
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COMPONENT_SOLUTE_CVaH_ID, &
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COMPONENT_SOLUTE_CVaHPOT_ID, &
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COMPONENT_MGTWIN_PHI_ID
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end enum
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!--------------------------------------------------------------------------------------------------
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! variables controlling debugging
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logical, private :: &
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debugGeneral, & !< general debugging of FEM solver
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debugRotation, & !< also printing out results in lab frame
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debugPETSc !< use some in debug defined options for more verbose PETSc solution
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!--------------------------------------------------------------------------------------------------
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! derived types
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type, public :: tSolutionState !< return type of solution from FEM solver variants
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logical :: converged = .true.
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logical :: stagConverged = .true.
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logical :: regrid = .false.
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integer(pInt) :: iterationsNeeded = 0_pInt
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end type tSolutionState
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type, public :: tComponentBC
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integer(kind(COMPONENT_UNDEFINED_ID)) :: ID
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real(pReal), allocatable :: Value(:)
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logical, allocatable :: Mask(:)
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end type tComponentBC
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type, public :: tFieldBC
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integer(kind(FIELD_UNDEFINED_ID)) :: ID
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integer(pInt) :: nComponents = 0_pInt
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type(tComponentBC), allocatable :: componentBC(:)
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end type tFieldBC
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type, public :: tLoadCase
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real(pReal) :: time = 0.0_pReal !< length of increment
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integer(pInt) :: incs = 0_pInt, & !< number of increments
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outputfrequency = 1_pInt, & !< frequency of result writes
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restartfrequency = 0_pInt, & !< frequency of restart writes
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logscale = 0_pInt !< linear/logarithmic time inc flag
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logical :: followFormerTrajectory = .true. !< follow trajectory of former loadcase
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integer(pInt), allocatable :: faceID(:)
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type(tFieldBC), allocatable :: fieldBC(:)
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end type tLoadCase
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type, public :: tFEMInterpolation
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integer(pInt) :: n
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real(pReal), dimension(:,:) , allocatable :: shapeFunc, shapeDerivReal, geomShapeDerivIso
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real(pReal), dimension(:,:,:), allocatable :: shapeDerivIso
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end type tFEMInterpolation
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type, public :: tQuadrature
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integer(pInt) :: n
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real(pReal), dimension(:) , allocatable :: Weights
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real(pReal), dimension(:,:), allocatable :: Points
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end type tQuadrature
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public :: &
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utilities_init, &
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utilities_constitutiveResponse, &
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utilities_indexBoundaryDofs, &
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utilities_projectBCValues, &
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utilities_indexActiveSet, &
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utilities_destroy, &
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FIELD_MECH_ID, &
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FIELD_THERMAL_ID, &
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FIELD_DAMAGE_ID, &
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FIELD_SOLUTE_ID, &
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FIELD_MGTWIN_ID, &
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COMPONENT_MECH_X_ID, &
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COMPONENT_MECH_Y_ID, &
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COMPONENT_MECH_Z_ID, &
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COMPONENT_THERMAL_T_ID, &
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COMPONENT_DAMAGE_PHI_ID, &
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COMPONENT_SOLUTE_CV_ID, &
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COMPONENT_SOLUTE_CVPOT_ID, &
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COMPONENT_SOLUTE_CH_ID, &
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COMPONENT_SOLUTE_CHPOT_ID, &
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COMPONENT_SOLUTE_CVaH_ID, &
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COMPONENT_SOLUTE_CVaHPOT_ID, &
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COMPONENT_MGTWIN_PHI_ID
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external :: &
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PetscOptionsInsertString, &
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PetscObjectSetName, &
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DMPlexGetHeightStratum, &
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DMGetLabelIdIS, &
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DMPlexGetChart, &
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DMPlexLabelComplete, &
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PetscViewerHDF5Open, &
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PetscViewerHDF5PushGroup, &
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PetscViewerHDF5PopGroup, &
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PetscViewerDestroy
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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief allocates all neccessary fields, sets debug flags
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!--------------------------------------------------------------------------------------------------
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subroutine utilities_init()
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
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use DAMASK_interface, only: &
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getSolverJobName
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use IO, only: &
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IO_error, &
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IO_warning, &
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IO_timeStamp, &
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IO_open_file
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use numerics, only: &
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integrationOrder, &
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worldsize, &
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worldrank, &
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petsc_defaultOptions, &
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petsc_options
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use debug, only: &
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debug_level, &
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debug_SPECTRAL, &
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debug_LEVELBASIC, &
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debug_SPECTRALPETSC, &
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debug_SPECTRALROTATION
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use debug, only: &
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PETSCDEBUG
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use math ! must use the whole module for use of FFTW
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use mesh, only: &
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mesh_NcpElemsGlobal, &
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mesh_maxNips, &
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geomMesh
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use material, only: &
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material_homog
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implicit none
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character(len=1024) :: petsc_optionsPhysics, grainStr
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integer(pInt) :: dimPlex
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integer(pInt) :: headerID = 205_pInt
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PetscInt, dimension(:), pointer :: points
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PetscInt, allocatable :: nEntities(:), nOutputCells(:), nOutputNodes(:), mappingCells(:)
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PetscInt :: cellStart, cellEnd, cell, ip, dim, ctr, qPt
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PetscInt, allocatable :: connectivity(:,:)
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Vec :: connectivityVec
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PetscErrorCode :: ierr
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write(6,'(/,a)') ' <<<+- DAMASK_FEM_utilities init -+>>>'
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write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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#include "compilation_info.f90"
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!--------------------------------------------------------------------------------------------------
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! set debugging parameters
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debugGeneral = iand(debug_level(debug_SPECTRAL),debug_LEVELBASIC) /= 0
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debugRotation = iand(debug_level(debug_SPECTRAL),debug_SPECTRALROTATION) /= 0
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debugPETSc = iand(debug_level(debug_SPECTRAL),debug_SPECTRALPETSC) /= 0
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if(debugPETSc) write(6,'(3(/,a),/)') &
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' Initializing PETSc with debug options: ', &
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trim(PETScDebug), &
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' add more using the PETSc_Options keyword in numerics.config '
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flush(6)
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call PetscOptionsClear(PETSC_NULL_OPTIONS,ierr)
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CHKERRQ(ierr)
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if(debugPETSc) call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(PETSCDEBUG),ierr)
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CHKERRQ(ierr)
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call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_defaultOptions),ierr)
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call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_options),ierr)
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CHKERRQ(ierr)
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!write(petsc_optionsPhysics,'(a,i0)') '-mechFE_petscspace_order ' , structOrder
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call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_optionsPhysics),ierr)
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CHKERRQ(ierr)
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wgt = 1.0/real(mesh_maxNips*mesh_NcpElemsGlobal,pReal)
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call PetscViewerHDF5Open(PETSC_COMM_WORLD, trim(getSolverJobName())//'.h5', &
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FILE_MODE_WRITE, resUnit, ierr); CHKERRQ(ierr)
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call PetscViewerHDF5PushGroup(resUnit, '/', ierr); CHKERRQ(ierr)
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call DMGetDimension(geomMesh,dimPlex,ierr); CHKERRQ(ierr)
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allocate(nEntities(dimPlex+1), source=0)
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allocate(nOutputNodes(worldsize), source = 0)
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allocate(nOutputCells(worldsize), source = 0)
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do dim = 0, dimPlex
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call DMGetStratumSize(geomMesh,'depth',dim,nEntities(dim+1),ierr)
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CHKERRQ(ierr)
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enddo
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select case (integrationOrder)
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case(1_pInt)
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nOutputNodes(worldrank+1) = nEntities(1)
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case(2_pInt)
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nOutputNodes(worldrank+1) = sum(nEntities)
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case default
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nOutputNodes(worldrank+1) = mesh_maxNips*nEntities(dimPlex+1)
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end select
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nOutputCells(worldrank+1) = count(material_homog > 0_pInt)
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call MPI_Allreduce(MPI_IN_PLACE,nOutputNodes,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)
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call MPI_Allreduce(MPI_IN_PLACE,nOutputCells,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)
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if (worldrank == 0_pInt) then
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open(unit=headerID, file=trim(getSolverJobName())//'.header', &
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form='FORMATTED', status='REPLACE')
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write(headerID, '(a,i0)') 'dimension : ', dimPlex
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write(headerID, '(a,i0)') 'number of nodes : ', sum(nOutputNodes)
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write(headerID, '(a,i0)') 'number of cells : ', sum(nOutputCells)
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endif
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allocate(connectivity(2**dimPlex,nOutputCells(worldrank+1)))
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call DMPlexGetHeightStratum(geomMesh,0,cellStart,cellEnd,ierr)
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CHKERRQ(ierr)
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ctr = 0
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select case (integrationOrder)
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case(1_pInt)
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do cell = cellStart, cellEnd-1 !< loop over all elements
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call DMPlexGetTransitiveClosure(geomMesh,cell,PETSC_TRUE,points,ierr)
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CHKERRQ(ierr)
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if (dimPlex == 2) then
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connectivity(:,ctr+1) = [points( 9), points(11), points(13), points(13)] - nEntities(dimPlex+1)
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ctr = ctr + 1
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else
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connectivity(:,ctr+1) = [points(23), points(25), points(27), points(27), &
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points(29), points(29), points(29), points(29)] - nEntities(dimPlex+1)
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ctr = ctr + 1
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endif
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enddo
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case(2_pInt)
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do cell = cellStart, cellEnd-1 !< loop over all elements
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call DMPlexGetTransitiveClosure(geomMesh,cell,PETSC_TRUE,points,ierr)
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CHKERRQ(ierr)
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if (dimPlex == 2) then
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connectivity(:,ctr+1) = [points(9 ), points(3), points(1), points(7)]
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connectivity(:,ctr+2) = [points(11), points(5), points(1), points(3)]
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connectivity(:,ctr+3) = [points(13), points(7), points(1), points(5)]
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ctr = ctr + 3
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else
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connectivity(:,ctr+1) = [points(23), points(11), points(3), points(15), points(17), points(5), points(1), points(7)]
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connectivity(:,ctr+2) = [points(25), points(13), points(3), points(11), points(19), points(9), points(1), points(5)]
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connectivity(:,ctr+3) = [points(27), points(15), points(3), points(13), points(21), points(7), points(1), points(9)]
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connectivity(:,ctr+4) = [points(29), points(17), points(7), points(21), points(19), points(5), points(1), points(9)]
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ctr = ctr + 4_pInt
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endif
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enddo
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case default
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do cell = cellStart, cellEnd-1; do ip = 0, mesh_maxNips-1
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connectivity(:,ctr+1) = cell*mesh_maxNips + ip
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ctr = ctr + 1
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enddo; enddo
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end select
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connectivity = connectivity + sum(nOutputNodes(1:worldrank))
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call VecCreateMPI(PETSC_COMM_WORLD,dimPlex*nOutputNodes(worldrank+1),dimPlex*sum(nOutputNodes), &
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coordinatesVec,ierr);CHKERRQ(ierr)
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call PetscObjectSetName(coordinatesVec, 'NodalCoordinates',ierr)
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call VecSetFromOptions(coordinatesVec, ierr); CHKERRQ(ierr)
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!allocate(mappingCells(worldsize), source = 0)
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!do homog = 1, material_Nhomogenization
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! mappingCells = 0_pInt; mappingCells(worldrank+1) = homogOutput(homog)%sizeIpCells
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! call MPI_Allreduce(MPI_IN_PLACE,mappingCells,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)
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! call VecCreateMPI(PETSC_COMM_WORLD,mappingCells(worldrank+1),sum(mappingCells), &
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! homogenizationResultsVec(homog),ierr);CHKERRQ(ierr)
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! if (sum(mappingCells) > 0) then
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! call VecCreateMPI(PETSC_COMM_WORLD,mappingCells(worldrank+1)*2**dimPlex,sum(mappingCells)*2**dimPlex, &
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! connectivityVec,ierr);CHKERRQ(ierr)
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! call PetscObjectSetName(connectivityVec,'mapping_'//trim(homogenization_name(homog)),ierr)
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! CHKERRQ(ierr)
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! call VecGetArrayF90(connectivityVec,results,ierr); CHKERRQ(ierr)
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! results = 0.0_pReal; ctr = 1_pInt
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! do cell = cellStart, cellEnd-1; do qPt = 1, mesh_maxNips
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! if (material_homog(qPt,cell+1) == homog) then
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! results(ctr:ctr+2**dimPlex-1) = real(reshape(connectivity(1:2**dimPlex,mesh_maxNips*cell+qPt), &
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! shape=[2**dimPlex]))
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! ctr = ctr + 2**dimPlex
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! endif
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! enddo; enddo
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! call VecRestoreArrayF90(connectivityVec, results, ierr); CHKERRQ(ierr)
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! call VecAssemblyBegin(connectivityVec, ierr); CHKERRQ(ierr)
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! call VecAssemblyEnd (connectivityVec, ierr); CHKERRQ(ierr)
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! call VecView(connectivityVec, resUnit, ierr); CHKERRQ(ierr)
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! call VecDestroy(connectivityVec, ierr); CHKERRQ(ierr)
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! endif
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!enddo
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!do cryst = 1, material_Ncrystallite; do grain = 1, homogenization_maxNgrains
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! mappingCells = 0_pInt
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! mappingCells(worldrank+1) = crystalliteOutput(cryst,grain)%sizeIpCells
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! call MPI_Allreduce(MPI_IN_PLACE,mappingCells,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)
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! call VecCreateMPI(PETSC_COMM_WORLD,mappingCells(worldrank+1),sum(mappingCells), &
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! crystalliteResultsVec(cryst,grain),ierr);CHKERRQ(ierr)
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! if (sum(mappingCells) > 0) then
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! call VecCreateMPI(PETSC_COMM_WORLD,mappingCells(worldrank+1)*2**dimPlex,sum(mappingCells)*2**dimPlex, &
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! connectivityVec,ierr);CHKERRQ(ierr)
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! write(grainStr,'(a,i0)') 'Grain',grain
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! call PetscObjectSetName(connectivityVec,'mapping_'// &
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! trim(crystallite_name(cryst))//'_'// &
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! trim(grainStr),ierr)
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! CHKERRQ(ierr)
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! call VecGetArrayF90(connectivityVec, results, ierr); CHKERRQ(ierr)
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! results = 0.0_pReal; ctr = 1_pInt
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! do cell = cellStart, cellEnd-1; do qPt = 1, mesh_maxNips
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! if (homogenization_Ngrains (mesh_element(3,cell+1)) >= grain .and. &
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! microstructure_crystallite(mesh_element(4,cell+1)) == cryst) then
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! results(ctr:ctr+2**dimPlex-1) = real(reshape(connectivity(1:2**dimPlex,mesh_maxNips*cell+qPt), &
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! shape=[2**dimPlex]))
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! ctr = ctr + 2**dimPlex
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! endif
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! enddo; enddo
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! call VecRestoreArrayF90(connectivityVec, results, ierr); CHKERRQ(ierr)
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! call VecAssemblyBegin(connectivityVec, ierr); CHKERRQ(ierr)
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! call VecAssemblyEnd (connectivityVec, ierr); CHKERRQ(ierr)
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! call VecView(connectivityVec, resUnit, ierr); CHKERRQ(ierr)
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! call VecDestroy(connectivityVec, ierr); CHKERRQ(ierr)
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! endif
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!enddo; enddo
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!do phase = 1, material_Nphase; do grain = 1, homogenization_maxNgrains
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! mappingCells = 0_pInt
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! mappingCells(worldrank+1) = phaseOutput(phase,grain)%sizeIpCells
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! call MPI_Allreduce(MPI_IN_PLACE,mappingCells,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)
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! call VecCreateMPI(PETSC_COMM_WORLD,mappingCells(worldrank+1),sum(mappingCells), &
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! phaseResultsVec(phase,grain),ierr);CHKERRQ(ierr)
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! if (sum(mappingCells) > 0) then
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! call VecCreateMPI(PETSC_COMM_WORLD,mappingCells(worldrank+1)*2**dimPlex,sum(mappingCells)*2**dimPlex, &
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! connectivityVec,ierr);CHKERRQ(ierr)
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! write(grainStr,'(a,i0)') 'Grain',grain
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! call PetscObjectSetName(connectivityVec,&
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! 'mapping_'//trim(phase_name(phase))//'_'// &
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! trim(grainStr),ierr)
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! CHKERRQ(ierr)
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! call VecGetArrayF90(connectivityVec, results, ierr)
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! CHKERRQ(ierr)
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! results = 0.0_pReal; ctr = 1_pInt
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! do cell = cellStart, cellEnd-1; do qPt = 1, mesh_maxNips
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! if (material_phase(grain,qPt,cell+1) == phase) then
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! results(ctr:ctr+2**dimPlex-1) = real(reshape(connectivity(1:2**dimPlex,mesh_maxNips*cell+qPt), &
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! shape=[2**dimPlex]))
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! ctr = ctr + 2**dimPlex
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! endif
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! enddo; enddo
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! call VecRestoreArrayF90(connectivityVec, results, ierr)
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! CHKERRQ(ierr)
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! call VecAssemblyBegin(connectivityVec, ierr);CHKERRQ(ierr)
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! call VecAssemblyEnd (connectivityVec, ierr);CHKERRQ(ierr)
|
|
! call VecView(connectivityVec, resUnit, ierr);CHKERRQ(ierr)
|
|
! call VecDestroy(connectivityVec, ierr); CHKERRQ(ierr)
|
|
! endif
|
|
!enddo; enddo
|
|
!if (worldrank == 0_pInt) then
|
|
! do homog = 1, material_Nhomogenization
|
|
! call VecGetSize(homogenizationResultsVec(homog),mappingCells(1),ierr)
|
|
! CHKERRQ(ierr)
|
|
! if (mappingCells(1) > 0) &
|
|
! write(headerID, '(a,i0)') 'number of homog_'// &
|
|
! trim(homogenization_name(homog))//'_'// &
|
|
! 'cells : ', mappingCells(1)
|
|
! enddo
|
|
! do cryst = 1, material_Ncrystallite; do grain = 1, homogenization_maxNgrains
|
|
! call VecGetSize(crystalliteResultsVec(cryst,grain),mappingCells(1),ierr)
|
|
! CHKERRQ(ierr)
|
|
! write(grainStr,'(a,i0)') 'Grain',grain
|
|
! if (mappingCells(1) > 0) &
|
|
! write(headerID, '(a,i0)') 'number of cryst_'// &
|
|
! trim(crystallite_name(cryst))//'_'// &
|
|
! trim(grainStr)//'_'// &
|
|
! 'cells : ', mappingCells(1)
|
|
! enddo; enddo
|
|
! do phase = 1, material_Nphase; do grain = 1, homogenization_maxNgrains
|
|
! call VecGetSize(phaseResultsVec(phase,grain),mappingCells(1),ierr)
|
|
! CHKERRQ(ierr)
|
|
! write(grainStr,'(a,i0)') 'Grain',grain
|
|
! if (mappingCells(1) > 0) &
|
|
! write(headerID, '(a,i0)') 'number of phase_'// &
|
|
! trim(phase_name(phase))//'_'//trim(grainStr)//'_'// &
|
|
! 'cells : ', mappingCells(1)
|
|
! enddo; enddo
|
|
! close(headerID)
|
|
!endif
|
|
|
|
end subroutine utilities_init
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief calculates constitutive response
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine utilities_constitutiveResponse(timeinc,P_av,forwardData)
|
|
use debug, only: &
|
|
debug_reset, &
|
|
debug_info
|
|
use numerics, only: &
|
|
worldrank
|
|
use math, only: &
|
|
math_transpose33, &
|
|
math_rotate_forward33, &
|
|
math_det33
|
|
use FEsolving, only: &
|
|
restartWrite
|
|
use homogenization, only: &
|
|
materialpoint_F0, &
|
|
materialpoint_F, &
|
|
materialpoint_P, &
|
|
materialpoint_dPdF, &
|
|
materialpoint_stressAndItsTangent
|
|
use mesh, only: &
|
|
mesh_NcpElems
|
|
|
|
implicit none
|
|
real(pReal), intent(in) :: timeinc !< loading time
|
|
logical, intent(in) :: forwardData !< age results
|
|
|
|
real(pReal),intent(out), dimension(3,3) :: P_av !< average PK stress
|
|
|
|
logical :: &
|
|
age
|
|
|
|
integer(pInt) :: &
|
|
j
|
|
real(pReal) :: defgradDetMin, defgradDetMax, defgradDet
|
|
PetscErrorCode :: ierr
|
|
|
|
write(6,'(/,a)') ' ... evaluating constitutive response ......................................'
|
|
|
|
age = .False.
|
|
if (forwardData) then ! aging results
|
|
age = .True.
|
|
endif
|
|
if (cutBack) then ! restore saved variables
|
|
age = .False.
|
|
endif
|
|
call debug_reset()
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! calculate bounds of det(F) and report
|
|
if(debugGeneral) then
|
|
defgradDetMax = -huge(1.0_pReal)
|
|
defgradDetMin = +huge(1.0_pReal)
|
|
do j = 1_pInt, mesh_NcpElems
|
|
defgradDet = math_det33(materialpoint_F(1:3,1:3,1,j))
|
|
defgradDetMax = max(defgradDetMax,defgradDet)
|
|
defgradDetMin = min(defgradDetMin,defgradDet)
|
|
end do
|
|
write(6,'(a,1x,es11.4)') ' max determinant of deformation =', defgradDetMax
|
|
write(6,'(a,1x,es11.4)') ' min determinant of deformation =', defgradDetMin
|
|
flush(6)
|
|
endif
|
|
|
|
call materialpoint_stressAndItsTangent(.true.,timeinc) ! calculate P field
|
|
|
|
call debug_info()
|
|
|
|
restartWrite = .false. ! reset restartWrite status
|
|
cutBack = .false. ! reset cutBack status
|
|
|
|
P_av = sum(sum(materialpoint_P,dim=4),dim=3) * wgt ! average of P
|
|
C_volAvg = sum(sum(materialpoint_dPdF,dim=6),dim=5) * wgt
|
|
call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
|
call MPI_Allreduce(MPI_IN_PLACE,C_volAvg,81,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD, ierr)
|
|
|
|
end subroutine utilities_constitutiveResponse
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief Create index sets of boundary dofs (in local and global numbering)
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine utilities_indexBoundaryDofs(dm_local,nFaceSets,numFields,local2global,section,localIS,globalIS)
|
|
|
|
implicit none
|
|
|
|
DM :: dm_local
|
|
ISLocalToGlobalMapping :: local2global
|
|
PetscSection :: section
|
|
PetscInt :: nFaceSets, numFields, nDof
|
|
IS, dimension(nFaceSets,numFields) :: localIS, globalIS
|
|
PetscInt :: field, faceSet, point, dof, offset
|
|
PetscInt :: localSize, storageSize, ISSize
|
|
PetscInt, dimension(:) , allocatable :: localIndices
|
|
IS :: faceSetIS, BC_IS, dummyIS
|
|
PetscInt, dimension(:) , pointer :: pFaceSets, pBCvertex, pBCvertexlc
|
|
DMLabel :: BCLabel
|
|
PetscErrorCode :: ierr
|
|
|
|
call DMGetLabel(dm_local,'Face Sets',BCLabel,ierr); CHKERRQ(ierr)
|
|
call DMPlexLabelComplete(dm_local,BCLabel,ierr); CHKERRQ(ierr)
|
|
call PetscSectionGetStorageSize(section,storageSize,ierr); CHKERRQ(ierr)
|
|
call DMGetLabelIdIS(dm_local,'Face Sets',faceSetIS,ierr); CHKERRQ(ierr)
|
|
call ISGetIndicesF90(faceSetIS,pFaceSets,ierr); CHKERRQ(ierr)
|
|
allocate(localIndices (storageSize))
|
|
do faceSet = 1, nFaceSets
|
|
call DMGetStratumSize(dm_local,'Face Sets',pFaceSets(faceSet),ISSize,ierr)
|
|
CHKERRQ(ierr)
|
|
call DMGetStratumIS(dm_local,'Face Sets',pFaceSets(faceSet),BC_IS,ierr)
|
|
CHKERRQ(ierr)
|
|
if (ISSize > 0) call ISGetIndicesF90(BC_IS,pBCvertex,ierr)
|
|
do field = 1, numFields
|
|
localSize = 0
|
|
do point = 1, ISSize
|
|
call PetscSectionGetFieldDof(section,pBCvertex(point),field-1,nDof,ierr)
|
|
CHKERRQ(ierr)
|
|
call PetscSectionGetFieldOffset(section,pBCvertex(point),field-1,offset,ierr)
|
|
CHKERRQ(ierr)
|
|
do dof = 1, nDof
|
|
localSize = localSize + 1
|
|
localIndices(localSize) = offset + dof - 1
|
|
enddo
|
|
enddo
|
|
call ISCreateGeneral(PETSC_COMM_SELF,localSize,localIndices,PETSC_COPY_VALUES, &
|
|
localIS(faceSet,field),ierr)
|
|
CHKERRQ(ierr)
|
|
call ISLocalToGlobalMappingApplyIS(local2global,localIS(faceSet,field), &
|
|
globalIS(faceSet,field),ierr)
|
|
CHKERRQ(ierr)
|
|
enddo
|
|
if (ISSize > 0) call ISRestoreIndicesF90(BC_IS,pBCvertex,ierr)
|
|
call ISDestroy(BC_IS,ierr); CHKERRQ(ierr)
|
|
enddo
|
|
call ISRestoreIndicesF90(faceSetIS,pFaceSets,ierr); CHKERRQ(ierr)
|
|
call ISDestroy(faceSetIS,ierr); CHKERRQ(ierr)
|
|
|
|
do faceSet = 1, nFaceSets; do field = 1, numFields
|
|
call ISGetSize(globalIS(faceSet,field),ISSize,ierr); CHKERRQ(ierr)
|
|
if (ISSize > 0) then
|
|
call ISGetIndicesF90(localIS(faceSet,field),pBCvertexlc,ierr); CHKERRQ(ierr)
|
|
call ISGetIndicesF90(globalIS(faceSet,field),pBCvertex,ierr); CHKERRQ(ierr)
|
|
endif
|
|
localSize = 0
|
|
do point = 1, ISSize
|
|
if (pBCvertex(point) >= 0) then
|
|
localSize = localSize + 1
|
|
localIndices(localSize) = pBCvertexlc(point)
|
|
endif
|
|
enddo
|
|
if (ISSize > 0) then
|
|
call ISRestoreIndicesF90(localIS(faceSet,field),pBCvertexlc,ierr); CHKERRQ(ierr)
|
|
call ISRestoreIndicesF90(globalIS(faceSet,field),pBCvertex,ierr); CHKERRQ(ierr)
|
|
endif
|
|
call ISDestroy(globalIS(faceSet,field),ierr); CHKERRQ(ierr)
|
|
call ISCreateGeneral(PETSC_COMM_SELF,localSize,localIndices,PETSC_COPY_VALUES, &
|
|
globalIS(faceSet,field),ierr)
|
|
CHKERRQ(ierr)
|
|
if (ISSize > 0) then
|
|
call ISDuplicate(localIS(faceSet,field),dummyIS,ierr); CHKERRQ(ierr)
|
|
call ISDestroy(localIS(faceSet,field),ierr); CHKERRQ(ierr)
|
|
call ISDifference(dummyIS,globalIS(faceSet,field),localIS(faceSet,field),ierr)
|
|
CHKERRQ(ierr)
|
|
call ISDestroy(dummyIS,ierr); CHKERRQ(ierr)
|
|
endif
|
|
enddo; enddo
|
|
deallocate(localIndices)
|
|
|
|
end subroutine utilities_indexBoundaryDofs
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief Project BC values to local vector
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine utilities_projectBCValues(localVec,section,field,comp,bcPointsIS,BCValue,BCDotValue,timeinc)
|
|
|
|
implicit none
|
|
|
|
Vec :: localVec
|
|
PetscInt :: field, comp, nBcPoints, point, dof, numDof, numComp, offset
|
|
PetscSection :: section
|
|
IS :: bcPointsIS
|
|
PetscInt, pointer :: bcPoints(:)
|
|
PetscScalar, pointer :: localArray(:)
|
|
PetscScalar :: BCValue,BCDotValue,timeinc
|
|
PetscErrorCode :: ierr
|
|
|
|
call PetscSectionGetFieldComponents(section,field,numComp,ierr); CHKERRQ(ierr)
|
|
call ISGetSize(bcPointsIS,nBcPoints,ierr); CHKERRQ(ierr)
|
|
if (nBcPoints > 0) call ISGetIndicesF90(bcPointsIS,bcPoints,ierr)
|
|
call VecGetArrayF90(localVec,localArray,ierr); CHKERRQ(ierr)
|
|
do point = 1, nBcPoints
|
|
call PetscSectionGetFieldDof(section,bcPoints(point),field,numDof,ierr)
|
|
CHKERRQ(ierr)
|
|
call PetscSectionGetFieldOffset(section,bcPoints(point),field,offset,ierr)
|
|
CHKERRQ(ierr)
|
|
do dof = offset+comp+1, offset+numDof, numComp
|
|
localArray(dof) = localArray(dof) + BCValue + BCDotValue*timeinc
|
|
enddo
|
|
enddo
|
|
call VecRestoreArrayF90(localVec,localArray,ierr); CHKERRQ(ierr)
|
|
call VecAssemblyBegin(localVec, ierr); CHKERRQ(ierr)
|
|
call VecAssemblyEnd (localVec, ierr); CHKERRQ(ierr)
|
|
if (nBcPoints > 0) call ISRestoreIndicesF90(bcPointsIS,bcPoints,ierr)
|
|
|
|
end subroutine utilities_projectBCValues
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief Create index sets of boundary dofs (in local and global numbering)
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine utilities_indexActiveSet(field,section,x_local,f_local,localIS,globalIS)
|
|
use mesh, only: &
|
|
geomMesh
|
|
|
|
implicit none
|
|
|
|
ISLocalToGlobalMapping :: local2global
|
|
PetscSection :: section
|
|
Vec :: x_local, f_local
|
|
PetscInt :: field
|
|
IS :: localIS, globalIS, dummyIS
|
|
PetscScalar, dimension(:) , pointer :: x_scal, f_scal
|
|
PetscInt :: ISSize
|
|
PetscInt :: chart, chartStart, chartEnd, nDof, dof, offset
|
|
PetscInt :: localSize
|
|
PetscInt, dimension(:) , allocatable :: localIndices
|
|
PetscInt, dimension(:) , pointer :: pBCvertex, pBCvertexlc
|
|
PetscErrorCode :: ierr
|
|
|
|
call DMGetLocalToGlobalMapping(geomMesh,local2global,ierr)
|
|
CHKERRQ(ierr)
|
|
call DMPlexGetChart(geomMesh,chartStart,chartEnd,ierr)
|
|
CHKERRQ(ierr)
|
|
call VecGetArrayF90(x_local,x_scal,ierr); CHKERRQ(ierr)
|
|
call VecGetArrayF90(f_local,f_scal,ierr); CHKERRQ(ierr)
|
|
localSize = 0
|
|
do chart = chartStart, chartEnd-1
|
|
call PetscSectionGetFieldDof(section,chart,field-1,nDof,ierr); CHKERRQ(ierr)
|
|
call PetscSectionGetFieldOffset(section,chart,field-1,offset,ierr); CHKERRQ(ierr)
|
|
do dof = offset+1, offset+nDof
|
|
if (((x_scal(dof) < 1.0e-8) .and. (f_scal(dof) > 0.0)) .or. &
|
|
((x_scal(dof) > 1.0 - 1.0e-8) .and. (f_scal(dof) < 0.0))) localSize = localSize + 1
|
|
enddo
|
|
enddo
|
|
allocate(localIndices(localSize))
|
|
localSize = 0
|
|
do chart = chartStart, chartEnd-1
|
|
call PetscSectionGetFieldDof(section,chart,field-1,nDof,ierr); CHKERRQ(ierr)
|
|
call PetscSectionGetFieldOffset(section,chart,field-1,offset,ierr); CHKERRQ(ierr)
|
|
do dof = offset+1, offset+nDof
|
|
if (((x_scal(dof) < 1.0e-8) .and. (f_scal(dof) > 0.0)) .or. &
|
|
((x_scal(dof) > 1.0 - 1.0e-8) .and. (f_scal(dof) < 0.0))) then
|
|
localSize = localSize + 1
|
|
localIndices(localSize) = dof-1
|
|
endif
|
|
enddo
|
|
enddo
|
|
call VecRestoreArrayF90(x_local,x_scal,ierr); CHKERRQ(ierr)
|
|
call VecRestoreArrayF90(f_local,f_scal,ierr); CHKERRQ(ierr)
|
|
call ISCreateGeneral(PETSC_COMM_SELF,localSize,localIndices,PETSC_COPY_VALUES,localIS,ierr)
|
|
CHKERRQ(ierr)
|
|
call ISLocalToGlobalMappingApplyIS(local2global,localIS,globalIS,ierr)
|
|
CHKERRQ(ierr)
|
|
call ISGetSize(globalIS,ISSize,ierr); CHKERRQ(ierr)
|
|
if (ISSize > 0) then
|
|
call ISGetIndicesF90(localIS,pBCvertexlc,ierr); CHKERRQ(ierr)
|
|
call ISGetIndicesF90(globalIS,pBCvertex,ierr); CHKERRQ(ierr)
|
|
endif
|
|
localSize = 0
|
|
do chart = 1, ISSize
|
|
if (pBCvertex(chart) >= 0) then
|
|
localSize = localSize + 1
|
|
localIndices(localSize) = pBCvertexlc(chart)
|
|
endif
|
|
enddo
|
|
if (ISSize > 0) then
|
|
call ISRestoreIndicesF90(localIS,pBCvertexlc,ierr); CHKERRQ(ierr)
|
|
call ISRestoreIndicesF90(globalIS,pBCvertex,ierr); CHKERRQ(ierr)
|
|
endif
|
|
call ISDestroy(globalIS,ierr); CHKERRQ(ierr)
|
|
call ISCreateGeneral(PETSC_COMM_SELF,localSize,localIndices,PETSC_COPY_VALUES,globalIS,ierr)
|
|
CHKERRQ(ierr)
|
|
if (ISSize > 0) then
|
|
call ISDuplicate(localIS,dummyIS,ierr); CHKERRQ(ierr)
|
|
call ISDestroy(localIS,ierr); CHKERRQ(ierr)
|
|
call ISDifference(dummyIS,globalIS,localIS,ierr)
|
|
CHKERRQ(ierr)
|
|
call ISDestroy(dummyIS,ierr); CHKERRQ(ierr)
|
|
endif
|
|
deallocate(localIndices)
|
|
|
|
end subroutine utilities_indexActiveSet
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief cleans up
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine utilities_destroy()
|
|
!use material, only: &
|
|
! homogenization_Ngrains
|
|
|
|
!implicit none
|
|
!PetscInt :: homog, cryst, grain, phase
|
|
!PetscErrorCode :: ierr
|
|
|
|
!call PetscViewerHDF5PopGroup(resUnit, ierr); CHKERRQ(ierr)
|
|
!call VecDestroy(coordinatesVec,ierr); CHKERRQ(ierr)
|
|
!do homog = 1, material_Nhomogenization
|
|
! call VecDestroy(homogenizationResultsVec(homog),ierr);CHKERRQ(ierr)
|
|
! do cryst = 1, material_Ncrystallite; do grain = 1, homogenization_Ngrains(homog)
|
|
! call VecDestroy(crystalliteResultsVec(cryst,grain),ierr);CHKERRQ(ierr)
|
|
! enddo; enddo
|
|
! do phase = 1, material_Nphase; do grain = 1, homogenization_Ngrains(homog)
|
|
! call VecDestroy(phaseResultsVec(phase,grain),ierr);CHKERRQ(ierr)
|
|
! enddo; enddo
|
|
!enddo
|
|
!call PetscViewerDestroy(resUnit, ierr); CHKERRQ(ierr)
|
|
|
|
end subroutine utilities_destroy
|
|
|
|
|
|
end module FEM_utilities
|