added filter option to the spectral solver to mitigate spurious oscillations due to gibb's phenomenon. activate by setting myfilter in config file appropriately (currently only 'none' and 'cosine' options coded). more cleaning up of AL code
This commit is contained in:
Pratheek Shanthraj
parent
925915e30d
commit
d0933dad7b
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@ -49,13 +49,7 @@ module DAMASK_spectral_SolverAL
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!--------------------------------------------------------------------------------------------------
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! PETSc data
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SNES, private :: snes
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DM, private :: da
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Vec, private :: solution_vec,residual_vec
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PetscMPIInt, private :: rank
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integer(pInt), private :: iter
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PetscInt, private :: xs,xm,gxs,gxm
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PetscInt, private :: ys,ym,gys,gym
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PetscInt, private :: zs,zm,gzs,gzm
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Vec, private :: solution_vec
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!--------------------------------------------------------------------------------------------------
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! common pointwise data
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@ -115,9 +109,13 @@ module DAMASK_spectral_SolverAL
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math_invSym3333
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implicit none
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integer(pInt) :: i,j,k
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PetscErrorCode ierr_psc
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PetscObject dummy
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PetscErrorCode :: ierr_psc
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PetscObject :: dummy
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PetscMPIInt :: rank
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DM :: da
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call Utilities_init()
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@ -205,22 +203,13 @@ module DAMASK_spectral_SolverAL
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DMDA_STENCIL_BOX,res(1),res(2),res(3),PETSC_DECIDE,PETSC_DECIDE,PETSC_DECIDE, &
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18,1,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,da,ierr_psc)
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call DMCreateGlobalVector(da,solution_vec,ierr_psc)
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call VecDuplicate(solution_vec,residual_vec,ierr_psc)
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call DMDASetLocalFunction(da,AL_FormResidual,ierr_psc)
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call DMDASetLocalFunction(da,AL_formResidual,ierr_psc)
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call SNESSetDM(snes,da,ierr_psc)
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call SNESSetConvergenceTest(snes,AL_converged,dummy,PETSC_NULL_FUNCTION,ierr_psc)
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call PetscOptionsInsertString(petsc_options,ierr_psc)
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call SNESSetFromOptions(snes,ierr_psc)
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call DMDAGetCorners(da,xs,ys,zs,xm,ym,zm,ierr_psc)
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call DMDAGetGhostCorners(da,gxs,gys,gzs,gxm,gym,gzm,ierr_psc)
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xs = xs+1; gxs = gxs+1
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xm = xm-1; gxm = gxm-1
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ys = ys+1; gys = gys+1
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ym = ym-1; gym = gym-1
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zs = zs+1; gzs = gzs+1
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zm = zm-1; gzm = gzm-1
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call DMDestroy(da,ierr_psc)
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end subroutine AL_init
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@ -262,6 +251,7 @@ module DAMASK_spectral_SolverAL
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!--------------------------------------------------------------------------------------------------
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! loop variables, convergence etc.
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real(pReal), dimension(3,3) :: temp33_Real
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integer(pInt) :: ctr, i, j, k
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!--------------------------------------------------------------------------------------------------
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!
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@ -306,15 +296,19 @@ module DAMASK_spectral_SolverAL
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S = Utilities_maskedCompliance(rotation_BC,P_BC%maskLogical,C)
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if (update_gamma) call Utilities_updateGamma(C)
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iter = 0_pInt
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ForwardData = .True.
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mask_stress = P_BC%maskFloat
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params%P_BC = P_BC%values
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params%rotation_BC = rotation_BC
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params%timeinc = timeinc
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ctr = 1_pInt
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call VecGetArrayF90(solution_vec,xx_psc,ierr_psc)
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call AL_InitialGuess(xx_psc)
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do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
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xx_psc(ctr:ctr+8_pInt) = reshape(F(i,j,k,1:3,1:3),[9])
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xx_psc(ctr+9_pInt:ctr+17_pInt) = reshape(F_lambda(i,j,k,1:3,1:3),[9])
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ctr = ctr + 18_pInt
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enddo; enddo; enddo
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call VecRestoreArrayF90(solution_vec,xx_psc,ierr_psc)
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call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr_psc)
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call SNESGetConvergedReason(snes,reason,ierr_psc)
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@ -322,50 +316,10 @@ module DAMASK_spectral_SolverAL
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end function AL_solution
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!--------------------------------------------------------------------------------------------------
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!> @brief fills solution vector with forwarded fields
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!--------------------------------------------------------------------------------------------------
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subroutine AL_InitialGuess(xx_psc)
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implicit none
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! Input/output variables:
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PetscScalar xx_psc(0:17,gxs:(gxs+gxm),gys:(gys+gym),gxs:(gzs+gzm))
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integer(pInt) :: i, j, k
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! Compute function over the locally owned part of the grid
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do k=gzs,gzs+gzm; do j=gys,gys+gym; do i=gxs,gxs+gxm
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xx_psc(0,i,j,k) = F(i,j,k,1,1)
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xx_psc(1,i,j,k) = F(i,j,k,1,2)
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xx_psc(2,i,j,k) = F(i,j,k,1,3)
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xx_psc(3,i,j,k) = F(i,j,k,2,1)
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xx_psc(4,i,j,k) = F(i,j,k,2,2)
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xx_psc(5,i,j,k) = F(i,j,k,2,3)
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xx_psc(6,i,j,k) = F(i,j,k,3,1)
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xx_psc(7,i,j,k) = F(i,j,k,3,2)
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xx_psc(8,i,j,k) = F(i,j,k,3,3)
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xx_psc(9,i,j,k) = F_lambda(i,j,k,1,1)
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xx_psc(10,i,j,k) = F_lambda(i,j,k,1,2)
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xx_psc(11,i,j,k) = F_lambda(i,j,k,1,3)
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xx_psc(12,i,j,k) = F_lambda(i,j,k,2,1)
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xx_psc(13,i,j,k) = F_lambda(i,j,k,2,2)
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xx_psc(14,i,j,k) = F_lambda(i,j,k,2,3)
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xx_psc(15,i,j,k) = F_lambda(i,j,k,3,1)
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xx_psc(16,i,j,k) = F_lambda(i,j,k,3,2)
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xx_psc(17,i,j,k) = F_lambda(i,j,k,3,3)
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enddo; enddo; enddo
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return
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end subroutine AL_InitialGuess
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!--------------------------------------------------------------------------------------------------
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!> @brief forms the AL residual vector
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!--------------------------------------------------------------------------------------------------
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subroutine AL_FormResidual(info,x_scal,f_scal,dummy,ierr_psc)
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subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr_psc)
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use numerics, only: &
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itmax, &
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@ -389,41 +343,29 @@ module DAMASK_spectral_SolverAL
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integer(pInt) :: i,j,k
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real(pReal), dimension (3,3) :: temp33_real
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DMDALocalInfo info(DMDA_LOCAL_INFO_SIZE)
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PetscScalar x_scal(0:17,gxs:gxs+gxm,gys:gys+gym,gzs:gzs+gzm)
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PetscScalar f_scal(0:17,xs:xs+xm,ys:ys+ym,zs:zs+zm)
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PetscObject dummy
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PetscErrorCode ierr_psc
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DMDALocalInfo :: in(DMDA_LOCAL_INFO_SIZE)
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PetscScalar :: x_scal(in(DMDA_LOCAL_INFO_DOF),XG_RANGE,YG_RANGE,ZG_RANGE)
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PetscScalar :: f_scal(in(DMDA_LOCAL_INFO_DOF),X_RANGE,Y_RANGE,Z_RANGE)
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PetscInt :: iter, nfuncs
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PetscObject :: dummy
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PetscErrorCode :: ierr_psc
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iter = iter + 1_pInt
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call SNESGetNumberFunctionEvals(snes,nfuncs,ierr_psc)
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call SNESGetIterationNumber(snes,iter,ierr_psc)
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!--------------------------------------------------------------------------------------------------
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! report begin of new iteration
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write(6,'(a)') ''
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write(6,'(a)') '=================================================================='
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write(6,'(3(a,i6.6))') ' @ Iter. ',itmin,' < ',iter,' < ',itmax
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write(6,'(4(a,i6.6))') ' @ Iter. ',itmin,' < ',iter,' < ',itmax, ' | # Func. calls = ',nfuncs
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write(6,'(a,/,3(3(f12.7,1x)/))',advance='no') 'deformation gradient aim =',&
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math_transpose33(F_aim)
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do k=gzs,gzs+gzm; do j=gys,gys+gym; do i=gxs,gxs+gxm
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F(i,j,k,1,1) = x_scal(0,i,j,k)
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F(i,j,k,1,2) = x_scal(1,i,j,k)
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F(i,j,k,1,3) = x_scal(2,i,j,k)
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F(i,j,k,2,1) = x_scal(3,i,j,k)
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F(i,j,k,2,2) = x_scal(4,i,j,k)
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F(i,j,k,2,3) = x_scal(5,i,j,k)
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F(i,j,k,3,1) = x_scal(6,i,j,k)
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F(i,j,k,3,2) = x_scal(7,i,j,k)
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F(i,j,k,3,3) = x_scal(8,i,j,k)
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F_lambda(i,j,k,1,1) = x_scal(9,i,j,k)
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F_lambda(i,j,k,1,2) = x_scal(10,i,j,k)
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F_lambda(i,j,k,1,3) = x_scal(11,i,j,k)
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F_lambda(i,j,k,2,1) = x_scal(12,i,j,k)
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F_lambda(i,j,k,2,2) = x_scal(13,i,j,k)
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F_lambda(i,j,k,2,3) = x_scal(14,i,j,k)
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F_lambda(i,j,k,3,1) = x_scal(15,i,j,k)
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F_lambda(i,j,k,3,2) = x_scal(16,i,j,k)
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F_lambda(i,j,k,3,3) = x_scal(17,i,j,k)
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do k=in(DMDA_LOCAL_INFO_ZS)+1,in(DMDA_LOCAL_INFO_ZS)+in(DMDA_LOCAL_INFO_ZM)
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do j=in(DMDA_LOCAL_INFO_YS)+1,in(DMDA_LOCAL_INFO_YS)+in(DMDA_LOCAL_INFO_YM)
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do i=in(DMDA_LOCAL_INFO_XS)+1,in(DMDA_LOCAL_INFO_XS)+in(DMDA_LOCAL_INFO_XM)
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F(i,j,k,1:3,1:3) = reshape(x_scal(1:9,i,j,k),[3,3])
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F_lambda(i,j,k,1:3,1:3) = reshape(x_scal(10:18,i,j,k),[3,3])
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enddo; enddo; enddo
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!--------------------------------------------------------------------------------------------------
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@ -434,7 +376,7 @@ module DAMASK_spectral_SolverAL
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!--------------------------------------------------------------------------------------------------
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! stress BC handling
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F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%P_BC))) !S = 0.0 for no bc
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F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%P_BC))) ! S = 0.0 for no bc
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err_stress = maxval(mask_stress * (P_av - params%P_BC)) ! mask = 0.0 for no bc
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@ -462,31 +404,17 @@ module DAMASK_spectral_SolverAL
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err_f = wgt*sqrt(err_f)
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err_p = wgt*sqrt(err_p)
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do k=gzs,gzs+gzm; do j=gys,gys+gym; do i=gxs,gxs+gxm
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temp33_real = math_mul3333xx33(S_scale,P(i,j,k,1:3,1:3)) + math_I3 - F_lambda(i,j,k,1:3,1:3) &
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+ F(i,j,k,1:3,1:3) - field_real(i,j,k,1:3,1:3)
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f_scal(0,i,j,k) = temp33_real(1,1)
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f_scal(1,i,j,k) = temp33_real(1,2)
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f_scal(2,i,j,k) = temp33_real(1,3)
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f_scal(3,i,j,k) = temp33_real(2,1)
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f_scal(4,i,j,k) = temp33_real(2,2)
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f_scal(5,i,j,k) = temp33_real(2,3)
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f_scal(6,i,j,k) = temp33_real(3,1)
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f_scal(7,i,j,k) = temp33_real(3,2)
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f_scal(8,i,j,k) = temp33_real(3,3)
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f_scal(9,i,j,k) = F(i,j,k,1,1) - field_real(i,j,k,1,1)
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f_scal(10,i,j,k) = F(i,j,k,1,2) - field_real(i,j,k,1,2)
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f_scal(11,i,j,k) = F(i,j,k,1,3) - field_real(i,j,k,1,3)
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f_scal(12,i,j,k) = F(i,j,k,2,1) - field_real(i,j,k,2,1)
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f_scal(13,i,j,k) = F(i,j,k,2,2) - field_real(i,j,k,2,2)
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f_scal(14,i,j,k) = F(i,j,k,2,3) - field_real(i,j,k,2,3)
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f_scal(15,i,j,k) = F(i,j,k,3,1) - field_real(i,j,k,3,1)
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f_scal(16,i,j,k) = F(i,j,k,3,2) - field_real(i,j,k,3,2)
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f_scal(17,i,j,k) = F(i,j,k,3,3) - field_real(i,j,k,3,3)
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do k=in(DMDA_LOCAL_INFO_ZS)+1,in(DMDA_LOCAL_INFO_ZS)+in(DMDA_LOCAL_INFO_ZM)
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do j=in(DMDA_LOCAL_INFO_YS)+1,in(DMDA_LOCAL_INFO_YS)+in(DMDA_LOCAL_INFO_YM)
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do i=in(DMDA_LOCAL_INFO_XS)+1,in(DMDA_LOCAL_INFO_XS)+in(DMDA_LOCAL_INFO_XM)
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temp33_real = math_mul3333xx33(S_scale,P(i,j,k,1:3,1:3)) + math_I3 - F_lambda(i,j,k,1:3,1:3) &
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+ F(i,j,k,1:3,1:3) - field_real(i,j,k,1:3,1:3)
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f_scal(1:9,i,j,k) = reshape(temp33_real,[9])
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f_scal(10:18,i,j,k) = reshape(F(i,j,k,1:3,1:3) - field_real(i,j,k,1:3,1:3),[9])
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enddo; enddo; enddo
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return
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end subroutine AL_FormResidual
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end subroutine AL_formResidual
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!--------------------------------------------------------------------------------------------------
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!> @brief convergence check
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@ -511,14 +439,14 @@ module DAMASK_spectral_SolverAL
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PetscErrorCode ierr_psc
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logical :: Converged
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Converged = (iter > itmin .and. &
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Converged = (it > itmin .and. &
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all([ err_f/sqrt(sum((F_aim-math_I3)*(F_aim-math_I3)))/err_f_tol, &
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err_p/sqrt(sum((F_aim-math_I3)*(F_aim-math_I3)))/err_p_tol, &
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err_stress/min(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs)] < 1.0_pReal))
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if (Converged) then
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reason = 1
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elseif (iter > itmax) then
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elseif (it > itmax) then
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reason = -1
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else
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reason = 0
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@ -542,9 +470,7 @@ module DAMASK_spectral_SolverAL
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PetscErrorCode ierr_psc
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call VecDestroy(solution_vec,ierr_psc)
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call VecDestroy(residual_vec,ierr_psc)
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call SNESDestroy(snes,ierr_psc)
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call DMDestroy(da,ierr_psc)
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call PetscFinalize(ierr_psc)
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call Utilities_destroy()
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@ -204,6 +204,7 @@ subroutine Utilities_updateGamma(C)
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real(pReal), dimension(3,3,3,3), intent(in) :: C
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real(pReal), dimension(3,3) :: temp33_Real, xiDyad
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real(pReal) :: filter
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integer(pInt) :: i, j, k, l, m, n, o
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C_ref = C
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@ -215,8 +216,9 @@ subroutine Utilities_updateGamma(C)
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forall(l = 1_pInt:3_pInt, m = 1_pInt:3_pInt) &
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temp33_Real(l,m) = sum(C_ref(l,m,1:3,1:3)*xiDyad)
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temp33_Real = math_inv33(temp33_Real)
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filter = Utilities_getFilter(xi(1:3,i,j,k))
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forall(l=1_pInt:3_pInt, m=1_pInt:3_pInt, n=1_pInt:3_pInt, o=1_pInt:3_pInt)&
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gamma_hat(i,j,k, l,m,n,o) = temp33_Real(l,n)*xiDyad(m,o)
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gamma_hat(i,j,k, l,m,n,o) = filter*temp33_Real(l,n)*xiDyad(m,o)
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endif
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enddo; enddo; enddo
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gamma_hat(1,1,1, 1:3,1:3,1:3,1:3) = 0.0_pReal ! singular point at xi=(0.0,0.0,0.0) i.e. i=j=k=1
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@ -332,6 +334,7 @@ subroutine Utilities_fourierConvolution(fieldAim)
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real(pReal), dimension(3,3), intent(in) :: fieldAim
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real(pReal), dimension(3,3) :: xiDyad, temp33_Real
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real(pReal) :: filter
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integer(pInt) :: i, j, k, l, m, n, o
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complex(pReal), dimension(3,3) :: temp33_complex
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@ -348,8 +351,9 @@ subroutine Utilities_fourierConvolution(fieldAim)
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forall(l = 1_pInt:3_pInt, m = 1_pInt:3_pInt) &
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temp33_Real(l,m) = sum(C_ref(l,m,1:3,1:3)*xiDyad)
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temp33_Real = math_inv33(temp33_Real)
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filter = Utilities_getFilter(xi(1:3,i,j,k))
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forall(l=1_pInt:3_pInt, m=1_pInt:3_pInt, n=1_pInt:3_pInt, o=1_pInt:3_pInt)&
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gamma_hat(1,1,1, l,m,n,o) = temp33_Real(l,n)*xiDyad(m,o)
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gamma_hat(1,1,1, l,m,n,o) = filter*temp33_Real(l,n)*xiDyad(m,o)
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forall(l = 1_pInt:3_pInt, m = 1_pInt:3_pInt) &
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temp33_Complex(l,m) = sum(gamma_hat(1,1,1, l,m, 1:3,1:3) * field_fourier(i,j,k,1:3,1:3))
|
||||
field_fourier(i,j,k,1:3,1:3) = temp33_Complex
|
||||
|
|
@ -522,6 +526,9 @@ subroutine Utilities_constitutiveResponse(coordinates,F_lastInc,F,temperature,ti
|
|||
real(pReal), dimension(6,6) :: dsde
|
||||
real(pReal), dimension(3,3) :: P_av_lab, P_av, rotation_BC
|
||||
|
||||
write(6,'(a)') ''
|
||||
write(6,'(a)') '... evaluating constitutive response .................'
|
||||
|
||||
if (ForwardData) then
|
||||
CPFEM_mode = 1_pInt
|
||||
else
|
||||
|
|
@ -554,8 +561,10 @@ subroutine Utilities_constitutiveResponse(coordinates,F_lastInc,F,temperature,ti
|
|||
restartWrite = .false.
|
||||
P_av_lab = P_av_lab * wgt
|
||||
P_av = math_rotate_forward33(P_av_lab,rotation_BC)
|
||||
|
||||
write (6,'(a,/,3(3(2x,f12.7,1x)/))',advance='no') ' Piola-Kirchhoff stress / MPa =',&
|
||||
math_transpose33(P_av)/1.e6_pReal
|
||||
|
||||
C = C * wgt
|
||||
end subroutine Utilities_constitutiveResponse
|
||||
|
||||
|
|
@ -577,6 +586,29 @@ subroutine Utilities_forwardField(delta_aim,timeinc,timeinc_old,guessmode,field_
|
|||
Field_lastInc(i,j,k,1:3,1:3) = temp33_Real
|
||||
enddo; enddo; enddo
|
||||
end subroutine Utilities_forwardField
|
||||
|
||||
real(pReal) function Utilities_getFilter(k)
|
||||
|
||||
use numerics, only: &
|
||||
myfilter
|
||||
|
||||
implicit none
|
||||
|
||||
real(pReal), dimension(3),intent(in) :: k
|
||||
|
||||
select case (myfilter)
|
||||
|
||||
case ('none')
|
||||
Utilities_getFilter = 1.0_pReal
|
||||
|
||||
case ('cosine')
|
||||
Utilities_getFilter = 0.125_pReal*(1.0_pReal + cos(pi*k(3)*geomdim(3)/(res(3)/2_pInt + 1_pInt))) &
|
||||
*(1.0_pReal + cos(pi*k(2)*geomdim(2)/(res(2)/2_pInt + 1_pInt))) &
|
||||
*(1.0_pReal + cos(pi*k(1)*geomdim(1)/(res(1)/2_pInt + 1_pInt)))
|
||||
|
||||
end select
|
||||
|
||||
end function Utilities_getFilter
|
||||
|
||||
subroutine Utilities_destroy()
|
||||
|
||||
|
|
|
|||
|
|
@ -66,4 +66,5 @@ memory_efficient 1 # Precalculate Gamma-operator (81 double
|
|||
update_gamma 0 # Update Gamma-operator with current dPdF (not possible if memory_efficient=1)
|
||||
divergence_correction 0 # Use dimension-independent divergence criterion
|
||||
myspectralsolver AL # Type of spectral solver (AL-augmented lagrange, basic-basic)
|
||||
myfilter none # Type of filtering method to mitigate Gibb's phenomenon (none, cosine, ...)
|
||||
petsc_options -snes_type ngmres -snes_ngmres_anderson -snes_view # PetSc solver options
|
||||
|
|
|
|||
|
|
@ -82,7 +82,8 @@ real(pReal) :: err_div_tol = 0.1_pReal, &
|
|||
fftw_timelimit = -1.0_pReal, & ! sets the timelimit of plan creation for FFTW, see manual on www.fftw.org, Default -1.0: disable timelimit
|
||||
rotation_tol = 1.0e-12_pReal ! tolerance of rotation specified in loadcase, Default 1.0e-12: first guess
|
||||
character(len=64) :: fftw_plan_mode = 'FFTW_PATIENT', & ! reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag
|
||||
myspectralsolver = 'basic' ! spectral solution method
|
||||
myspectralsolver = 'basic' , & ! spectral solution method
|
||||
myfilter = 'none' ! spectral filtering method
|
||||
character(len=1024) :: petsc_options = '-snes_type ngmres -snes_ngmres_anderson -snes_view'
|
||||
integer(pInt) :: fftw_planner_flag = 32_pInt, & ! conversion of fftw_plan_mode to integer, basically what is usually done in the include file of fftw
|
||||
itmax = 20_pInt, & ! maximum number of iterations
|
||||
|
|
@ -257,6 +258,8 @@ subroutine numerics_init
|
|||
fftw_plan_mode = IO_stringValue(line,positions,2_pInt)
|
||||
case ('myspectralsolver')
|
||||
myspectralsolver = IO_stringValue(line,positions,2_pInt)
|
||||
case ('myfilter')
|
||||
myfilter = IO_stringValue(line,positions,2_pInt)
|
||||
case ('petsc_options')
|
||||
petsc_options = IO_stringValue(line,positions,2_pInt)
|
||||
case ('rotation_tol')
|
||||
|
|
@ -269,7 +272,7 @@ subroutine numerics_init
|
|||
#ifndef Spectral
|
||||
case ('err_div_tol','err_stress_tolrel','err_stress_tolabs',&
|
||||
'itmax', 'itmin','memory_efficient','fftw_timelimit','fftw_plan_mode','myspectralsolver', &
|
||||
'rotation_tol','divergence_correction','update_gamma','petsc_options')
|
||||
'rotation_tol','divergence_correction','update_gamma','petsc_options','myfilter')
|
||||
call IO_warning(40_pInt,ext_msg=tag)
|
||||
#endif
|
||||
case default
|
||||
|
|
@ -363,6 +366,7 @@ subroutine numerics_init
|
|||
endif
|
||||
write(6,'(a24,1x,a)') ' fftw_plan_mode: ',trim(fftw_plan_mode)
|
||||
write(6,'(a24,1x,a)') ' myspectralsolver: ',trim(myspectralsolver)
|
||||
write(6,'(a24,1x,a)') ' myfilter: ',trim(myfilter)
|
||||
write(6,'(a24,1x,a)') ' PetSc_options: ',trim(petsc_options)
|
||||
write(6,'(a24,1x,i8)') ' fftw_planner_flag: ',fftw_planner_flag
|
||||
write(6,'(a24,1x,es8.1)') ' rotation_tol: ',rotation_tol
|
||||
|
|
|
|||
Loading…
Reference in New Issue