Allreduce better suited than Bcast
This commit is contained in:
Martin Diehl
parent
a5dad0ca5c
commit
6f3771f6c4
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@ -11,14 +11,9 @@ module spectral_damage
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use prec, only: &
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pInt, &
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pReal
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use math, only: &
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math_I3
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use spectral_utilities, only: &
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tSolutionState, &
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tSolutionParams
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use numerics, only: &
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worldrank, &
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worldsize
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implicit none
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private
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@ -42,7 +37,7 @@ module spectral_damage
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!--------------------------------------------------------------------------------------------------
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! reference diffusion tensor, mobility etc.
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integer(pInt), private :: totalIter = 0_pInt !< total iteration in current increment
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integer(pInt), private :: totalIter = 0 !< total iteration in current increment
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real(pReal), dimension(3,3), private :: D_ref
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real(pReal), private :: mobility_ref
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@ -57,93 +52,94 @@ contains
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!> @brief allocates all neccessary fields and fills them with data, potentially from restart info
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!--------------------------------------------------------------------------------------------------
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subroutine spectral_damage_init()
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use IO, only: &
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IO_intOut
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use spectral_utilities, only: &
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wgt
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use mesh, only: &
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grid, &
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grid3
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use damage_nonlocal, only: &
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damage_nonlocal_getDiffusion33, &
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damage_nonlocal_getMobility
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implicit none
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PetscInt, dimension(:), allocatable :: localK
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integer(pInt) :: proc
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integer(pInt) :: i, j, k, cell
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DM :: damage_grid
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Vec :: uBound, lBound
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PetscErrorCode :: ierr
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character(len=100) :: snes_type
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write(6,'(/,a)') ' <<<+- spectral_damage init -+>>>'
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write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, volume in press, '
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write(6,'(a,/)') ' chapter Spectral Solvers for Crystal Plasticity and Multi-Physics Simulations. Springer, 2018 '
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use IO, only: &
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IO_intOut
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use spectral_utilities, only: &
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wgt
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use mesh, only: &
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grid, &
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grid3
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use damage_nonlocal, only: &
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damage_nonlocal_getDiffusion33, &
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damage_nonlocal_getMobility
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use numerics, only: &
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worldrank, &
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worldsize
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implicit none
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PetscInt, dimension(worldsize) :: localK
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integer :: i, j, k, cell
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DM :: damage_grid
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Vec :: uBound, lBound
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PetscErrorCode :: ierr
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character(len=100) :: snes_type
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write(6,'(/,a)') ' <<<+- spectral_damage init -+>>>'
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write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, volume in press, '
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write(6,'(a,/)') ' chapter Spectral Solvers for Crystal Plasticity and Multi-Physics Simulations. Springer, 2018 '
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!--------------------------------------------------------------------------------------------------
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! initialize solver specific parts of PETSc
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call SNESCreate(PETSC_COMM_WORLD,damage_snes,ierr); CHKERRQ(ierr)
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call SNESSetOptionsPrefix(damage_snes,'damage_',ierr);CHKERRQ(ierr)
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allocate(localK(worldsize), source = 0); localK(worldrank+1) = grid3
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do proc = 1, worldsize
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call MPI_Bcast(localK(proc),1,MPI_INTEGER,proc-1,PETSC_COMM_WORLD,ierr)
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enddo
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call DMDACreate3D(PETSC_COMM_WORLD, &
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DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & !< cut off stencil at boundary
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DMDA_STENCIL_BOX, & !< Moore (26) neighborhood around central point
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grid(1),grid(2),grid(3), & !< global grid
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1, 1, worldsize, &
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1, 0, & !< #dof (damage phase field), ghost boundary width (domain overlap)
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[grid(1)],[grid(2)],localK, & !< local grid
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damage_grid,ierr) !< handle, error
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CHKERRQ(ierr)
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call SNESSetDM(damage_snes,damage_grid,ierr); CHKERRQ(ierr) !< connect snes to da
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call DMsetFromOptions(damage_grid,ierr); CHKERRQ(ierr)
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call DMsetUp(damage_grid,ierr); CHKERRQ(ierr)
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call DMCreateGlobalVector(damage_grid,solution,ierr); CHKERRQ(ierr) !< global solution vector (grid x 1, i.e. every def grad tensor)
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call DMDASNESSetFunctionLocal(damage_grid,INSERT_VALUES,spectral_damage_formResidual,&
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PETSC_NULL_SNES,ierr) !< residual vector of same shape as solution vector
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CHKERRQ(ierr)
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call SNESSetFromOptions(damage_snes,ierr); CHKERRQ(ierr) !< pull it all together with additional CLI arguments
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call SNESGetType(damage_snes,snes_type,ierr); CHKERRQ(ierr)
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if (trim(snes_type) == 'vinewtonrsls' .or. &
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trim(snes_type) == 'vinewtonssls') then
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call DMGetGlobalVector(damage_grid,lBound,ierr); CHKERRQ(ierr)
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call DMGetGlobalVector(damage_grid,uBound,ierr); CHKERRQ(ierr)
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call VecSet(lBound,0.0_pReal,ierr); CHKERRQ(ierr)
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call VecSet(uBound,1.0_pReal,ierr); CHKERRQ(ierr)
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call SNESVISetVariableBounds(damage_snes,lBound,uBound,ierr) !< variable bounds for variational inequalities like contact mechanics, damage etc.
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call DMRestoreGlobalVector(damage_grid,lBound,ierr); CHKERRQ(ierr)
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call DMRestoreGlobalVector(damage_grid,uBound,ierr); CHKERRQ(ierr)
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endif
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call SNESCreate(PETSC_COMM_WORLD,damage_snes,ierr); CHKERRQ(ierr)
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call SNESSetOptionsPrefix(damage_snes,'damage_',ierr);CHKERRQ(ierr)
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localK = 0
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localK(worldrank+1) = grid3
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call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
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call DMDACreate3D(PETSC_COMM_WORLD, &
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DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & !< cut off stencil at boundary
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DMDA_STENCIL_BOX, & !< Moore (26) neighborhood around central point
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grid(1),grid(2),grid(3), & !< global grid
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1, 1, worldsize, &
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1, 0, & !< #dof (damage phase field), ghost boundary width (domain overlap)
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[grid(1)],[grid(2)],localK, & !< local grid
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damage_grid,ierr) !< handle, error
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CHKERRQ(ierr)
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call SNESSetDM(damage_snes,damage_grid,ierr); CHKERRQ(ierr) !< connect snes to da
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call DMsetFromOptions(damage_grid,ierr); CHKERRQ(ierr)
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call DMsetUp(damage_grid,ierr); CHKERRQ(ierr)
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call DMCreateGlobalVector(damage_grid,solution,ierr); CHKERRQ(ierr) !< global solution vector (grid x 1, i.e. every def grad tensor)
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call DMDASNESSetFunctionLocal(damage_grid,INSERT_VALUES,spectral_damage_formResidual,&
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PETSC_NULL_SNES,ierr) !< residual vector of same shape as solution vector
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CHKERRQ(ierr)
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call SNESSetFromOptions(damage_snes,ierr); CHKERRQ(ierr) !< pull it all together with additional CLI arguments
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call SNESGetType(damage_snes,snes_type,ierr); CHKERRQ(ierr)
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if (trim(snes_type) == 'vinewtonrsls' .or. &
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trim(snes_type) == 'vinewtonssls') then
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call DMGetGlobalVector(damage_grid,lBound,ierr); CHKERRQ(ierr)
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call DMGetGlobalVector(damage_grid,uBound,ierr); CHKERRQ(ierr)
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call VecSet(lBound,0.0_pReal,ierr); CHKERRQ(ierr)
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call VecSet(uBound,1.0_pReal,ierr); CHKERRQ(ierr)
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call SNESVISetVariableBounds(damage_snes,lBound,uBound,ierr) !< variable bounds for variational inequalities like contact mechanics, damage etc.
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call DMRestoreGlobalVector(damage_grid,lBound,ierr); CHKERRQ(ierr)
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call DMRestoreGlobalVector(damage_grid,uBound,ierr); CHKERRQ(ierr)
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endif
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!--------------------------------------------------------------------------------------------------
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! init fields
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call DMDAGetCorners(damage_grid,xstart,ystart,zstart,xend,yend,zend,ierr)
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CHKERRQ(ierr)
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xend = xstart + xend - 1
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yend = ystart + yend - 1
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zend = zstart + zend - 1
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call VecSet(solution,1.0_pReal,ierr); CHKERRQ(ierr)
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allocate(damage_current(grid(1),grid(2),grid3), source=1.0_pReal)
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allocate(damage_lastInc(grid(1),grid(2),grid3), source=1.0_pReal)
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allocate(damage_stagInc(grid(1),grid(2),grid3), source=1.0_pReal)
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call DMDAGetCorners(damage_grid,xstart,ystart,zstart,xend,yend,zend,ierr)
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CHKERRQ(ierr)
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xend = xstart + xend - 1
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yend = ystart + yend - 1
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zend = zstart + zend - 1
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call VecSet(solution,1.0_pReal,ierr); CHKERRQ(ierr)
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allocate(damage_current(grid(1),grid(2),grid3), source=1.0_pReal)
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allocate(damage_lastInc(grid(1),grid(2),grid3), source=1.0_pReal)
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allocate(damage_stagInc(grid(1),grid(2),grid3), source=1.0_pReal)
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!--------------------------------------------------------------------------------------------------
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! damage reference diffusion update
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cell = 0_pInt
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D_ref = 0.0_pReal
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mobility_ref = 0.0_pReal
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do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt,grid(1)
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cell = cell + 1_pInt
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D_ref = D_ref + damage_nonlocal_getDiffusion33(1,cell)
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mobility_ref = mobility_ref + damage_nonlocal_getMobility(1,cell)
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enddo; enddo; enddo
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D_ref = D_ref*wgt
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call MPI_Allreduce(MPI_IN_PLACE,D_ref,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
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mobility_ref = mobility_ref*wgt
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call MPI_Allreduce(MPI_IN_PLACE,mobility_ref,1,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
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cell = 0_pInt
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D_ref = 0.0_pReal
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mobility_ref = 0.0_pReal
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do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
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cell = cell + 1
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D_ref = D_ref + damage_nonlocal_getDiffusion33(1,cell)
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mobility_ref = mobility_ref + damage_nonlocal_getMobility(1,cell)
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enddo; enddo; enddo
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D_ref = D_ref*wgt
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call MPI_Allreduce(MPI_IN_PLACE,D_ref,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
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mobility_ref = mobility_ref*wgt
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call MPI_Allreduce(MPI_IN_PLACE,mobility_ref,1,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
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end subroutine spectral_damage_init
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@ -151,74 +147,69 @@ end subroutine spectral_damage_init
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!> @brief solution for the spectral damage scheme with internal iterations
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!--------------------------------------------------------------------------------------------------
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type(tSolutionState) function spectral_damage_solution(timeinc,timeinc_old,loadCaseTime)
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use numerics, only: &
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itmax, &
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err_damage_tolAbs, &
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err_damage_tolRel
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use mesh, only: &
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grid, &
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grid3
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use damage_nonlocal, only: &
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damage_nonlocal_putNonLocalDamage
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use numerics, only: &
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itmax, &
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err_damage_tolAbs, &
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err_damage_tolRel
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use mesh, only: &
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grid, &
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grid3
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use damage_nonlocal, only: &
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damage_nonlocal_putNonLocalDamage
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implicit none
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real(pReal), intent(in) :: &
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timeinc, & !< increment in time for current solution
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timeinc_old, & !< increment in time of last increment
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loadCaseTime !< remaining time of current load case
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implicit none
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!--------------------------------------------------------------------------------------------------
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! input data for solution
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real(pReal), intent(in) :: &
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timeinc, & !< increment in time for current solution
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timeinc_old, & !< increment in time of last increment
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loadCaseTime !< remaining time of current load case
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integer(pInt) :: i, j, k, cell
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PetscInt ::position
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PetscReal :: minDamage, maxDamage, stagNorm, solnNorm
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!--------------------------------------------------------------------------------------------------
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! PETSc Data
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PetscErrorCode :: ierr
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SNESConvergedReason :: reason
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integer :: i, j, k, cell
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PetscInt ::position
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PetscReal :: minDamage, maxDamage, stagNorm, solnNorm
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PetscErrorCode :: ierr
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SNESConvergedReason :: reason
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spectral_damage_solution%converged =.false.
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!--------------------------------------------------------------------------------------------------
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! set module wide availabe data
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params%timeinc = timeinc
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params%timeincOld = timeinc_old
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call SNESSolve(damage_snes,PETSC_NULL_VEC,solution,ierr); CHKERRQ(ierr)
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call SNESGetConvergedReason(damage_snes,reason,ierr); CHKERRQ(ierr)
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if (reason < 1) then
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spectral_damage_solution%converged = .false.
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spectral_damage_solution%iterationsNeeded = itmax
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else
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spectral_damage_solution%converged = .true.
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spectral_damage_solution%iterationsNeeded = totalIter
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endif
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stagNorm = maxval(abs(damage_current - damage_stagInc))
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solnNorm = maxval(abs(damage_current))
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call MPI_Allreduce(MPI_IN_PLACE,stagNorm,1,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr)
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call MPI_Allreduce(MPI_IN_PLACE,solnNorm,1,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr)
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damage_stagInc = damage_current
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spectral_damage_solution%stagConverged = stagNorm < err_damage_tolAbs &
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.or. stagNorm < err_damage_tolRel*solnNorm
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params%timeinc = timeinc
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params%timeincOld = timeinc_old
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call SNESSolve(damage_snes,PETSC_NULL_VEC,solution,ierr); CHKERRQ(ierr)
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call SNESGetConvergedReason(damage_snes,reason,ierr); CHKERRQ(ierr)
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if (reason < 1) then
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spectral_damage_solution%converged = .false.
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spectral_damage_solution%iterationsNeeded = itmax
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else
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spectral_damage_solution%converged = .true.
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spectral_damage_solution%iterationsNeeded = totalIter
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endif
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stagNorm = maxval(abs(damage_current - damage_stagInc))
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solnNorm = maxval(abs(damage_current))
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call MPI_Allreduce(MPI_IN_PLACE,stagNorm,1,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr)
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call MPI_Allreduce(MPI_IN_PLACE,solnNorm,1,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr)
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damage_stagInc = damage_current
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spectral_damage_solution%stagConverged = stagNorm < err_damage_tolAbs &
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.or. stagNorm < err_damage_tolRel*solnNorm
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!--------------------------------------------------------------------------------------------------
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! updating damage state
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cell = 0_pInt !< material point = 0
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do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt,grid(1)
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cell = cell + 1_pInt !< material point increase
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call damage_nonlocal_putNonLocalDamage(damage_current(i,j,k),1,cell)
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enddo; enddo; enddo
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call VecMin(solution,position,minDamage,ierr); CHKERRQ(ierr)
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call VecMax(solution,position,maxDamage,ierr); CHKERRQ(ierr)
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if (spectral_damage_solution%converged) &
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write(6,'(/,a)') ' ... nonlocal damage converged .....................................'
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write(6,'(/,a,f8.6,2x,f8.6,2x,f8.6,/)',advance='no') ' Minimum|Maximum|Delta Damage = ',&
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minDamage, maxDamage, stagNorm
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write(6,'(/,a)') ' ==========================================================================='
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flush(6)
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cell = 0
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do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
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cell = cell + 1
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call damage_nonlocal_putNonLocalDamage(damage_current(i,j,k),1,cell)
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enddo; enddo; enddo
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call VecMin(solution,position,minDamage,ierr); CHKERRQ(ierr)
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call VecMax(solution,position,maxDamage,ierr); CHKERRQ(ierr)
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if (spectral_damage_solution%converged) &
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write(6,'(/,a)') ' ... nonlocal damage converged .....................................'
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write(6,'(/,a,f8.6,2x,f8.6,2x,f8.6,/)',advance='no') ' Minimum|Maximum|Delta Damage = ',&
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minDamage, maxDamage, stagNorm
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write(6,'(/,a)') ' ==========================================================================='
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flush(6)
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end function spectral_damage_solution
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@ -108,8 +108,8 @@ subroutine basic_init
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PetscErrorCode :: ierr
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PetscScalar, pointer, dimension(:,:,:,:) :: F
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PetscInt, dimension(:), allocatable :: localK
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integer :: proc, fileUnit
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PetscInt, dimension(worldsize) :: localK
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integer :: fileUnit
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character(len=1024) :: rankStr
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write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverBasic init -+>>>'
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@ -125,10 +125,9 @@ subroutine basic_init
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! initialize solver specific parts of PETSc
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call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
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call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
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allocate(localK(worldsize), source = 0); localK(worldrank+1) = grid3
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do proc = 1, worldsize !ToDo: there are smarter options in MPI
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call MPI_Bcast(localK(proc),1,MPI_INTEGER,proc-1,PETSC_COMM_WORLD,ierr)
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enddo
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localK = 0
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localK(worldrank+1) = grid3
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call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
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call DMDACreate3d(PETSC_COMM_WORLD, &
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DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary
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DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point
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@ -118,8 +118,8 @@ subroutine Polarisation_init
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FandF_tau, & ! overall pointer to solution data
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F, & ! specific (sub)pointer
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F_tau ! specific (sub)pointer
|
||||
PetscInt, dimension(:), allocatable :: localK
|
||||
integer :: proc, fileUnit
|
||||
PetscInt, dimension(worldsize) :: localK
|
||||
integer :: fileUnit
|
||||
character(len=1024) :: rankStr
|
||||
|
||||
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverPolarisation init -+>>>'
|
||||
|
|
@ -137,10 +137,9 @@ subroutine Polarisation_init
|
|||
! initialize solver specific parts of PETSc
|
||||
call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
|
||||
call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
|
||||
allocate(localK(worldsize), source = 0); localK(worldrank+1) = grid3
|
||||
do proc = 1, worldsize !ToDo: there are smarter options in MPI
|
||||
call MPI_Bcast(localK(proc),1,MPI_INTEGER,proc-1,PETSC_COMM_WORLD,ierr)
|
||||
enddo
|
||||
localK = 0
|
||||
localK(worldrank+1) = grid3
|
||||
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
call DMDACreate3d(PETSC_COMM_WORLD, &
|
||||
DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary
|
||||
DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point
|
||||
|
|
|
|||
|
|
@ -9,16 +9,10 @@ module spectral_thermal
|
|||
use PETScdmda
|
||||
use PETScsnes
|
||||
use prec, only: &
|
||||
pInt, &
|
||||
pReal
|
||||
use math, only: &
|
||||
math_I3
|
||||
use spectral_utilities, only: &
|
||||
tSolutionState, &
|
||||
tSolutionParams
|
||||
use numerics, only: &
|
||||
worldrank, &
|
||||
worldsize
|
||||
|
||||
implicit none
|
||||
private
|
||||
|
|
@ -42,7 +36,7 @@ module spectral_thermal
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! reference diffusion tensor, mobility etc.
|
||||
integer(pInt), private :: totalIter = 0_pInt !< total iteration in current increment
|
||||
integer, private :: totalIter = 0 !< total iteration in current increment
|
||||
real(pReal), dimension(3,3), private :: D_ref
|
||||
real(pReal), private :: mobility_ref
|
||||
|
||||
|
|
@ -57,104 +51,96 @@ contains
|
|||
!> @brief allocates all neccessary fields and fills them with data, potentially from restart info
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine spectral_thermal_init
|
||||
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||
use, intrinsic :: iso_fortran_env, only: &
|
||||
compiler_version, &
|
||||
compiler_options
|
||||
#endif
|
||||
use IO, only: &
|
||||
IO_timeStamp
|
||||
use spectral_utilities, only: &
|
||||
wgt
|
||||
use mesh, only: &
|
||||
grid, &
|
||||
grid3
|
||||
use thermal_conduction, only: &
|
||||
thermal_conduction_getConductivity33, &
|
||||
thermal_conduction_getMassDensity, &
|
||||
thermal_conduction_getSpecificHeat
|
||||
use material, only: &
|
||||
mappingHomogenization, &
|
||||
temperature, &
|
||||
thermalMapping
|
||||
|
||||
implicit none
|
||||
integer(pInt), dimension(:), allocatable :: localK
|
||||
integer(pInt) :: proc
|
||||
integer(pInt) :: i, j, k, cell
|
||||
DM :: thermal_grid
|
||||
PetscScalar, dimension(:,:,:), pointer :: x_scal
|
||||
PetscErrorCode :: ierr
|
||||
use spectral_utilities, only: &
|
||||
wgt
|
||||
use mesh, only: &
|
||||
grid, &
|
||||
grid3
|
||||
use thermal_conduction, only: &
|
||||
thermal_conduction_getConductivity33, &
|
||||
thermal_conduction_getMassDensity, &
|
||||
thermal_conduction_getSpecificHeat
|
||||
use material, only: &
|
||||
mappingHomogenization, &
|
||||
temperature, &
|
||||
thermalMapping
|
||||
use numerics, only: &
|
||||
worldrank, &
|
||||
worldsize
|
||||
|
||||
write(6,'(/,a)') ' <<<+- spectral_thermal init -+>>>'
|
||||
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, volume in press,'
|
||||
write(6,'(/,a)') ' chapter Spectral Solvers for Crystal Plasticity and Multi-Physics Simulations. Springer, 2018'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
implicit none
|
||||
integer, dimension(worldsize) :: localK
|
||||
integer :: i, j, k, cell
|
||||
DM :: thermal_grid
|
||||
PetscScalar, dimension(:,:,:), pointer :: x_scal
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
write(6,'(/,a)') ' <<<+- spectral_thermal init -+>>>'
|
||||
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, volume in press,'
|
||||
write(6,'(/,a)') ' chapter Spectral Solvers for Crystal Plasticity and Multi-Physics Simulations. Springer, 2018'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! initialize solver specific parts of PETSc
|
||||
call SNESCreate(PETSC_COMM_WORLD,thermal_snes,ierr); CHKERRQ(ierr)
|
||||
call SNESSetOptionsPrefix(thermal_snes,'thermal_',ierr);CHKERRQ(ierr)
|
||||
allocate(localK(worldsize), source = 0); localK(worldrank+1) = grid3
|
||||
do proc = 1, worldsize
|
||||
call MPI_Bcast(localK(proc),1,MPI_INTEGER,proc-1,PETSC_COMM_WORLD,ierr)
|
||||
enddo
|
||||
call DMDACreate3D(PETSC_COMM_WORLD, &
|
||||
DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary
|
||||
DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point
|
||||
grid(1),grid(2),grid(3), & ! global grid
|
||||
1, 1, worldsize, &
|
||||
1, 0, & !< #dof (thermal phase field), ghost boundary width (domain overlap)
|
||||
[grid(1)],[grid(2)],localK, & !< local grid
|
||||
thermal_grid,ierr) !< handle, error
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetDM(thermal_snes,thermal_grid,ierr); CHKERRQ(ierr) ! connect snes to da
|
||||
call DMsetFromOptions(thermal_grid,ierr); CHKERRQ(ierr)
|
||||
call DMsetUp(thermal_grid,ierr); CHKERRQ(ierr)
|
||||
call DMCreateGlobalVector(thermal_grid,solution ,ierr); CHKERRQ(ierr) ! global solution vector (grid x 1, i.e. every def grad tensor)
|
||||
call DMDASNESSetFunctionLocal(thermal_grid,INSERT_VALUES,spectral_thermal_formResidual,&
|
||||
PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetFromOptions(thermal_snes,ierr); CHKERRQ(ierr) ! pull it all together with additional CLI arguments
|
||||
call SNESCreate(PETSC_COMM_WORLD,thermal_snes,ierr); CHKERRQ(ierr)
|
||||
call SNESSetOptionsPrefix(thermal_snes,'thermal_',ierr);CHKERRQ(ierr)
|
||||
localK = 0
|
||||
localK(worldrank+1) = grid3
|
||||
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
call DMDACreate3D(PETSC_COMM_WORLD, &
|
||||
DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary
|
||||
DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point
|
||||
grid(1),grid(2),grid(3), & ! global grid
|
||||
1, 1, worldsize, &
|
||||
1, 0, & !< #dof (thermal phase field), ghost boundary width (domain overlap)
|
||||
[grid(1)],[grid(2)],localK, & !< local grid
|
||||
thermal_grid,ierr) !< handle, error
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetDM(thermal_snes,thermal_grid,ierr); CHKERRQ(ierr) ! connect snes to da
|
||||
call DMsetFromOptions(thermal_grid,ierr); CHKERRQ(ierr)
|
||||
call DMsetUp(thermal_grid,ierr); CHKERRQ(ierr)
|
||||
call DMCreateGlobalVector(thermal_grid,solution ,ierr); CHKERRQ(ierr) ! global solution vector (grid x 1, i.e. every def grad tensor)
|
||||
call DMDASNESSetFunctionLocal(thermal_grid,INSERT_VALUES,spectral_thermal_formResidual,&
|
||||
PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetFromOptions(thermal_snes,ierr); CHKERRQ(ierr) ! pull it all together with additional CLI arguments
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! init fields
|
||||
call DMDAGetCorners(thermal_grid,xstart,ystart,zstart,xend,yend,zend,ierr)
|
||||
CHKERRQ(ierr)
|
||||
xend = xstart + xend - 1
|
||||
yend = ystart + yend - 1
|
||||
zend = zstart + zend - 1
|
||||
allocate(temperature_current(grid(1),grid(2),grid3), source=0.0_pReal)
|
||||
allocate(temperature_lastInc(grid(1),grid(2),grid3), source=0.0_pReal)
|
||||
allocate(temperature_stagInc(grid(1),grid(2),grid3), source=0.0_pReal)
|
||||
cell = 0_pInt
|
||||
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt,grid(1)
|
||||
cell = cell + 1_pInt
|
||||
temperature_current(i,j,k) = temperature(mappingHomogenization(2,1,cell))% &
|
||||
p(thermalMapping(mappingHomogenization(2,1,cell))%p(1,cell))
|
||||
temperature_lastInc(i,j,k) = temperature_current(i,j,k)
|
||||
temperature_stagInc(i,j,k) = temperature_current(i,j,k)
|
||||
enddo; enddo; enddo
|
||||
call DMDAVecGetArrayF90(thermal_grid,solution,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with
|
||||
x_scal(xstart:xend,ystart:yend,zstart:zend) = temperature_current
|
||||
call DMDAVecRestoreArrayF90(thermal_grid,solution,x_scal,ierr); CHKERRQ(ierr)
|
||||
call DMDAGetCorners(thermal_grid,xstart,ystart,zstart,xend,yend,zend,ierr)
|
||||
CHKERRQ(ierr)
|
||||
xend = xstart + xend - 1
|
||||
yend = ystart + yend - 1
|
||||
zend = zstart + zend - 1
|
||||
allocate(temperature_current(grid(1),grid(2),grid3), source=0.0_pReal)
|
||||
allocate(temperature_lastInc(grid(1),grid(2),grid3), source=0.0_pReal)
|
||||
allocate(temperature_stagInc(grid(1),grid(2),grid3), source=0.0_pReal)
|
||||
cell = 0
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
temperature_current(i,j,k) = temperature(mappingHomogenization(2,1,cell))% &
|
||||
p(thermalMapping(mappingHomogenization(2,1,cell))%p(1,cell))
|
||||
temperature_lastInc(i,j,k) = temperature_current(i,j,k)
|
||||
temperature_stagInc(i,j,k) = temperature_current(i,j,k)
|
||||
enddo; enddo; enddo
|
||||
call DMDAVecGetArrayF90(thermal_grid,solution,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with
|
||||
x_scal(xstart:xend,ystart:yend,zstart:zend) = temperature_current
|
||||
call DMDAVecRestoreArrayF90(thermal_grid,solution,x_scal,ierr); CHKERRQ(ierr)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! thermal reference diffusion update
|
||||
cell = 0_pInt
|
||||
D_ref = 0.0_pReal
|
||||
mobility_ref = 0.0_pReal
|
||||
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt,grid(1)
|
||||
cell = cell + 1_pInt
|
||||
D_ref = D_ref + thermal_conduction_getConductivity33(1,cell)
|
||||
mobility_ref = mobility_ref + thermal_conduction_getMassDensity(1,cell)* &
|
||||
thermal_conduction_getSpecificHeat(1,cell)
|
||||
enddo; enddo; enddo
|
||||
D_ref = D_ref*wgt
|
||||
call MPI_Allreduce(MPI_IN_PLACE,D_ref,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
mobility_ref = mobility_ref*wgt
|
||||
call MPI_Allreduce(MPI_IN_PLACE,mobility_ref,1,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
cell = 0
|
||||
D_ref = 0.0_pReal
|
||||
mobility_ref = 0.0_pReal
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
D_ref = D_ref + thermal_conduction_getConductivity33(1,cell)
|
||||
mobility_ref = mobility_ref + thermal_conduction_getMassDensity(1,cell)* &
|
||||
thermal_conduction_getSpecificHeat(1,cell)
|
||||
enddo; enddo; enddo
|
||||
D_ref = D_ref*wgt
|
||||
call MPI_Allreduce(MPI_IN_PLACE,D_ref,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
mobility_ref = mobility_ref*wgt
|
||||
call MPI_Allreduce(MPI_IN_PLACE,mobility_ref,1,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
|
||||
end subroutine spectral_thermal_init
|
||||
|
||||
|
|
@ -162,76 +148,72 @@ end subroutine spectral_thermal_init
|
|||
!> @brief solution for the spectral thermal scheme with internal iterations
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
type(tSolutionState) function spectral_thermal_solution(timeinc,timeinc_old,loadCaseTime)
|
||||
use numerics, only: &
|
||||
itmax, &
|
||||
err_thermal_tolAbs, &
|
||||
err_thermal_tolRel
|
||||
use mesh, only: &
|
||||
grid, &
|
||||
grid3
|
||||
use thermal_conduction, only: &
|
||||
thermal_conduction_putTemperatureAndItsRate
|
||||
use numerics, only: &
|
||||
itmax, &
|
||||
err_thermal_tolAbs, &
|
||||
err_thermal_tolRel
|
||||
use mesh, only: &
|
||||
grid, &
|
||||
grid3
|
||||
use thermal_conduction, only: &
|
||||
thermal_conduction_putTemperatureAndItsRate
|
||||
|
||||
implicit none
|
||||
|
||||
implicit none
|
||||
real(pReal), intent(in) :: &
|
||||
timeinc, & !< increment in time for current solution
|
||||
timeinc_old, & !< increment in time of last increment
|
||||
loadCaseTime !< remaining time of current load case
|
||||
integer :: i, j, k, cell
|
||||
PetscInt :: position
|
||||
PetscReal :: minTemperature, maxTemperature, stagNorm, solnNorm
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! input data for solution
|
||||
real(pReal), intent(in) :: &
|
||||
timeinc, & !< increment in time for current solution
|
||||
timeinc_old, & !< increment in time of last increment
|
||||
loadCaseTime !< remaining time of current load case
|
||||
integer(pInt) :: i, j, k, cell
|
||||
PetscInt :: position
|
||||
PetscReal :: minTemperature, maxTemperature, stagNorm, solnNorm
|
||||
PetscErrorCode :: ierr
|
||||
SNESConvergedReason :: reason
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! PETSc Data
|
||||
PetscErrorCode :: ierr
|
||||
SNESConvergedReason :: reason
|
||||
|
||||
spectral_thermal_solution%converged =.false.
|
||||
spectral_thermal_solution%converged =.false.
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! set module wide availabe data
|
||||
params%timeinc = timeinc
|
||||
params%timeincOld = timeinc_old
|
||||
params%timeinc = timeinc
|
||||
params%timeincOld = timeinc_old
|
||||
|
||||
call SNESSolve(thermal_snes,PETSC_NULL_VEC,solution,ierr); CHKERRQ(ierr)
|
||||
call SNESGetConvergedReason(thermal_snes,reason,ierr); CHKERRQ(ierr)
|
||||
call SNESSolve(thermal_snes,PETSC_NULL_VEC,solution,ierr); CHKERRQ(ierr)
|
||||
call SNESGetConvergedReason(thermal_snes,reason,ierr); CHKERRQ(ierr)
|
||||
|
||||
if (reason < 1) then
|
||||
spectral_thermal_solution%converged = .false.
|
||||
spectral_thermal_solution%iterationsNeeded = itmax
|
||||
else
|
||||
spectral_thermal_solution%converged = .true.
|
||||
spectral_thermal_solution%iterationsNeeded = totalIter
|
||||
endif
|
||||
stagNorm = maxval(abs(temperature_current - temperature_stagInc))
|
||||
solnNorm = maxval(abs(temperature_current))
|
||||
call MPI_Allreduce(MPI_IN_PLACE,stagNorm,1,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr)
|
||||
call MPI_Allreduce(MPI_IN_PLACE,solnNorm,1,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr)
|
||||
temperature_stagInc = temperature_current
|
||||
spectral_thermal_solution%stagConverged = stagNorm < err_thermal_tolAbs &
|
||||
.or. stagNorm < err_thermal_tolRel*solnNorm
|
||||
if (reason < 1) then
|
||||
spectral_thermal_solution%converged = .false.
|
||||
spectral_thermal_solution%iterationsNeeded = itmax
|
||||
else
|
||||
spectral_thermal_solution%converged = .true.
|
||||
spectral_thermal_solution%iterationsNeeded = totalIter
|
||||
endif
|
||||
stagNorm = maxval(abs(temperature_current - temperature_stagInc))
|
||||
solnNorm = maxval(abs(temperature_current))
|
||||
call MPI_Allreduce(MPI_IN_PLACE,stagNorm,1,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr)
|
||||
call MPI_Allreduce(MPI_IN_PLACE,solnNorm,1,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr)
|
||||
temperature_stagInc = temperature_current
|
||||
spectral_thermal_solution%stagConverged = stagNorm < err_thermal_tolAbs &
|
||||
.or. stagNorm < err_thermal_tolRel*solnNorm
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! updating thermal state
|
||||
cell = 0_pInt !< material point = 0
|
||||
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt,grid(1)
|
||||
cell = cell + 1_pInt !< material point increase
|
||||
call thermal_conduction_putTemperatureAndItsRate(temperature_current(i,j,k), &
|
||||
(temperature_current(i,j,k)-temperature_lastInc(i,j,k))/params%timeinc, &
|
||||
1,cell)
|
||||
enddo; enddo; enddo
|
||||
cell = 0
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
call thermal_conduction_putTemperatureAndItsRate(temperature_current(i,j,k), &
|
||||
(temperature_current(i,j,k)-temperature_lastInc(i,j,k))/params%timeinc, &
|
||||
1,cell)
|
||||
enddo; enddo; enddo
|
||||
|
||||
call VecMin(solution,position,minTemperature,ierr); CHKERRQ(ierr)
|
||||
call VecMax(solution,position,maxTemperature,ierr); CHKERRQ(ierr)
|
||||
if (spectral_thermal_solution%converged) &
|
||||
write(6,'(/,a)') ' ... thermal conduction converged ..................................'
|
||||
write(6,'(/,a,f8.4,2x,f8.4,2x,f8.4,/)',advance='no') ' Minimum|Maximum|Delta Temperature / K = ',&
|
||||
minTemperature, maxTemperature, stagNorm
|
||||
write(6,'(/,a)') ' ==========================================================================='
|
||||
flush(6)
|
||||
call VecMin(solution,position,minTemperature,ierr); CHKERRQ(ierr)
|
||||
call VecMax(solution,position,maxTemperature,ierr); CHKERRQ(ierr)
|
||||
if (spectral_thermal_solution%converged) &
|
||||
write(6,'(/,a)') ' ... thermal conduction converged ..................................'
|
||||
write(6,'(/,a,f8.4,2x,f8.4,2x,f8.4,/)',advance='no') ' Minimum|Maximum|Delta Temperature / K = ',&
|
||||
minTemperature, maxTemperature, stagNorm
|
||||
write(6,'(/,a)') ' ==========================================================================='
|
||||
flush(6)
|
||||
|
||||
end function spectral_thermal_solution
|
||||
|
||||
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@ -272,7 +254,7 @@ subroutine spectral_thermal_formResidual(in,x_scal,f_scal,dummy,ierr)
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f_scal
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PetscObject :: dummy
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||||
PetscErrorCode :: ierr
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||||
integer(pInt) :: i, j, k, cell
|
||||
integer :: i, j, k, cell
|
||||
real(pReal) :: Tdot, dTdot_dT
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||||
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temperature_current = x_scal
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@ -283,18 +265,18 @@ subroutine spectral_thermal_formResidual(in,x_scal,f_scal,dummy,ierr)
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call utilities_FFTscalarForward()
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call utilities_fourierScalarGradient() !< calculate gradient of damage field
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call utilities_FFTvectorBackward()
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||||
cell = 0_pInt
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||||
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt,grid(1)
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cell = cell + 1_pInt
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||||
cell = 0
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||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
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cell = cell + 1
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vectorField_real(1:3,i,j,k) = math_mul33x3(thermal_conduction_getConductivity33(1,cell) - D_ref, &
|
||||
vectorField_real(1:3,i,j,k))
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||||
enddo; enddo; enddo
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||||
call utilities_FFTvectorForward()
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||||
call utilities_fourierVectorDivergence() !< calculate damage divergence in fourier field
|
||||
call utilities_FFTscalarBackward()
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||||
cell = 0_pInt
|
||||
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt,grid(1)
|
||||
cell = cell + 1_pInt
|
||||
cell = 0
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
call thermal_conduction_getSourceAndItsTangent(Tdot, dTdot_dT, temperature_current(i,j,k), 1, cell)
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||||
scalarField_real(i,j,k) = params%timeinc*scalarField_real(i,j,k) + &
|
||||
params%timeinc*Tdot + &
|
||||
|
|
@ -333,10 +315,10 @@ subroutine spectral_thermal_forward()
|
|||
thermal_conduction_getSpecificHeat
|
||||
|
||||
implicit none
|
||||
integer(pInt) :: i, j, k, cell
|
||||
DM :: dm_local
|
||||
PetscScalar, dimension(:,:,:), pointer :: x_scal
|
||||
PetscErrorCode :: ierr
|
||||
integer :: i, j, k, cell
|
||||
DM :: dm_local
|
||||
PetscScalar, dimension(:,:,:), pointer :: x_scal
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
if (cutBack) then
|
||||
temperature_current = temperature_lastInc
|
||||
|
|
@ -344,13 +326,13 @@ subroutine spectral_thermal_forward()
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! reverting thermal field state
|
||||
cell = 0_pInt !< material point = 0
|
||||
cell = 0
|
||||
call SNESGetDM(thermal_snes,dm_local,ierr); CHKERRQ(ierr)
|
||||
call DMDAVecGetArrayF90(dm_local,solution,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with
|
||||
x_scal(xstart:xend,ystart:yend,zstart:zend) = temperature_current
|
||||
call DMDAVecRestoreArrayF90(dm_local,solution,x_scal,ierr); CHKERRQ(ierr)
|
||||
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt,grid(1)
|
||||
cell = cell + 1_pInt !< material point increase
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
call thermal_conduction_putTemperatureAndItsRate(temperature_current(i,j,k), &
|
||||
(temperature_current(i,j,k) - &
|
||||
temperature_lastInc(i,j,k))/params%timeinc, &
|
||||
|
|
@ -360,11 +342,11 @@ subroutine spectral_thermal_forward()
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! update rate and forward last inc
|
||||
temperature_lastInc = temperature_current
|
||||
cell = 0_pInt
|
||||
cell = 0
|
||||
D_ref = 0.0_pReal
|
||||
mobility_ref = 0.0_pReal
|
||||
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt,grid(1)
|
||||
cell = cell + 1_pInt
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
D_ref = D_ref + thermal_conduction_getConductivity33(1,cell)
|
||||
mobility_ref = mobility_ref + thermal_conduction_getMassDensity(1,cell)* &
|
||||
thermal_conduction_getSpecificHeat(1,cell)
|
||||
|
|
|
|||
Loading…
Reference in New Issue