From d6080d332dad0dd820a510e9d7a42ac85842b731 Mon Sep 17 00:00:00 2001 From: Pratheek Shanthraj Date: Thu, 11 Sep 2014 13:28:15 +0000 Subject: [PATCH] updated to be compatible with latest version of petsc. Please change your PETSC_DIR to /opt/petsc-dev and PETSC_ARCH to ifort (gfort or ifort-debug for gfortran and debugging version respectively on maws01 also available) --- code/DAMASK_spectral_solverAL.f90 | 10 +-- code/DAMASK_spectral_solverBasicPETSc.f90 | 68 +-------------------- code/DAMASK_spectral_solverPolarisation.f90 | 12 +--- 3 files changed, 8 insertions(+), 82 deletions(-) diff --git a/code/DAMASK_spectral_solverAL.f90 b/code/DAMASK_spectral_solverAL.f90 index e2250a55b..7081a0448 100644 --- a/code/DAMASK_spectral_solverAL.f90 +++ b/code/DAMASK_spectral_solverAL.f90 @@ -17,9 +17,7 @@ module DAMASK_spectral_solverAL implicit none private -#include -#include -#include +#include character (len=*), parameter, public :: & DAMASK_spectral_solverAL_label = 'al' @@ -139,9 +137,6 @@ subroutine AL_init(temperature) implicit none real(pReal), intent(inout) :: & temperature -#include -#include -#include real(pReal), dimension(:,:,:,:,:), allocatable :: P real(pReal), dimension(3,3) :: & temp33_Real = 0.0_pReal @@ -170,7 +165,7 @@ subroutine AL_init(temperature) ! PETSc Init call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr) call DMDACreate3d(PETSC_COMM_WORLD, & - DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, & + DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & DMDA_STENCIL_BOX,grid(1),grid(2),grid(3),PETSC_DECIDE,PETSC_DECIDE,PETSC_DECIDE, & 18,1,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,da,ierr) CHKERRQ(ierr) @@ -604,7 +599,6 @@ subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,F_BC,P_BC,rotation_ restartWrite implicit none -#include real(pReal), intent(in) :: & timeinc_old, & timeinc, & diff --git a/code/DAMASK_spectral_solverBasicPETSc.f90 b/code/DAMASK_spectral_solverBasicPETSc.f90 index 487d433b7..66c94ba5e 100644 --- a/code/DAMASK_spectral_solverBasicPETSc.f90 +++ b/code/DAMASK_spectral_solverBasicPETSc.f90 @@ -17,9 +17,8 @@ module DAMASK_spectral_SolverBasicPETSc implicit none private -#include -#include -#include +#include + character (len=*), parameter, public :: & DAMASK_spectral_SolverBasicPETSC_label = 'basicpetsc' @@ -125,16 +124,12 @@ subroutine basicPETSc_init(temperature) implicit none real(pReal), intent(inout) :: & temperature -#include -#include -#include real(pReal), dimension(:,:,:,:,:), allocatable :: P PetscScalar, dimension(:,:,:,:), pointer :: F PetscErrorCode :: ierr PetscObject :: dummy real(pReal), dimension(3,3) :: & temp33_Real = 0.0_pReal - KSP :: ksp call Utilities_init() write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverBasicPETSc init -+>>>' @@ -154,7 +149,7 @@ subroutine basicPETSc_init(temperature) ! initialize solver specific parts of PETSc call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr) call DMDACreate3d(PETSC_COMM_WORLD, & - DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, & + DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & DMDA_STENCIL_BOX,grid(1),grid(2),grid(3),PETSC_DECIDE,PETSC_DECIDE,PETSC_DECIDE, & 9,1,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,da,ierr) CHKERRQ(ierr) @@ -164,9 +159,6 @@ subroutine basicPETSc_init(temperature) call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) call SNESSetConvergenceTest(snes,BasicPETSC_converged,dummy,PETSC_NULL_FUNCTION,ierr) CHKERRQ(ierr) - call SNESGetKSP(snes,ksp,ierr); CHKERRQ(ierr) - call KSPSetConvergenceTest(ksp,BasicPETSC_convergedKSP,dummy,PETSC_NULL_FUNCTION,ierr) - CHKERRQ(ierr) call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr) !-------------------------------------------------------------------------------------------------- @@ -460,59 +452,6 @@ subroutine BasicPETSc_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,du end subroutine BasicPETSc_converged -!-------------------------------------------------------------------------------------------------- -!> @brief convergence check -!-------------------------------------------------------------------------------------------------- -subroutine BasicPETSc_convergedKSP(ksp_local,PETScIter,fnorm,reason,dummy,ierr) - use numerics, only: & - itmax, & - itmin, & - err_div_tolRel, & - err_div_tolAbs - use FEsolving, only: & - terminallyIll - use DAMASK_spectral_Utilities, only: & - wgt - - implicit none - KSP :: ksp_local - PetscInt :: PETScIter, SNESIter - PetscReal :: & - fnorm, & - SNESfnorm, & - estimatedErrDiv - KSPConvergedReason :: reason - PetscObject :: dummy - PetscErrorCode :: ierr - real(pReal) :: & - divTol, & - r_tol - - call SNESGetIterationNumber(snes,SNESIter,ierr); CHKERRQ(ierr) - call SNESGetFunctionNorm(snes,SNESfnorm,ierr); CHKERRQ(ierr) - - if (SNESIter == 0_pInt) then ! Eisenstat-Walker calculation of relative tolerance for inexact newton - r_tol = 0.3 - else - r_tol = (err_div/err_divPrev)**1.618 - endif - - divTol = max(maxval(abs(P_av))*err_div_tolRel,err_div_tolAbs) - estimatedErrDiv = fnorm*err_div/SNESfnorm ! Estimated error divergence - - converged: if ((PETScIter >= itmin .and. & - any([fnorm/snesFnorm/r_tol, & - estimatedErrDiv/divTol] < 1.0_pReal)) & - .or. terminallyIll) then - reason = 1 - elseif (totalIter >= itmax) then converged - reason = -1 - else converged - reason = 0 - endif converged - -end subroutine BasicPETSc_convergedKSP - !-------------------------------------------------------------------------------------------------- !> @brief forwarding routine !-------------------------------------------------------------------------------------------------- @@ -536,7 +475,6 @@ subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,F_BC,P_BC,r restartWrite implicit none -#include real(pReal), intent(in) :: & timeinc_old, & timeinc, & diff --git a/code/DAMASK_spectral_solverPolarisation.f90 b/code/DAMASK_spectral_solverPolarisation.f90 index be4f8323f..7930fd12d 100644 --- a/code/DAMASK_spectral_solverPolarisation.f90 +++ b/code/DAMASK_spectral_solverPolarisation.f90 @@ -17,9 +17,7 @@ module DAMASK_spectral_solverPolarisation implicit none private -#include -#include -#include +#include character (len=*), parameter, public :: & DAMASK_spectral_solverPolarisation_label = 'polarisation' @@ -139,9 +137,6 @@ subroutine Polarisation_init(temperature) implicit none real(pReal), intent(inout) :: & temperature -#include -#include -#include real(pReal), dimension(:,:,:,:,:), allocatable :: P real(pReal), dimension(3,3) :: & temp33_Real = 0.0_pReal @@ -169,8 +164,8 @@ subroutine Polarisation_init(temperature) !-------------------------------------------------------------------------------------------------- ! PETSc Init call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr) - call DMDACreate3d(PETSC_COMM_WORLD, & - DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, & + call DMDACreate3d(PETSC_COMM_WORLD, & + DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & DMDA_STENCIL_BOX,grid(1),grid(2),grid(3),PETSC_DECIDE,PETSC_DECIDE,PETSC_DECIDE, & 18,1,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,da,ierr) CHKERRQ(ierr) @@ -601,7 +596,6 @@ subroutine Polarisation_forward(guess,timeinc,timeinc_old,loadCaseTime,F_BC,P_BC restartWrite implicit none -#include real(pReal), intent(in) :: & timeinc_old, & timeinc, &