some more finetuning, still not running on gfortran 4.5.0
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Martin Diehl
parent
c831716b26
commit
b1c3c57412
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@ -75,8 +75,8 @@ program DAMASK_spectral_Driver
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!--------------------------------------------------------------------------------------------------
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! variables related to information from load case and geom file
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real(pReal), dimension(9) :: temp_valueVector !< temporarily from loadcase file when reading in tensors
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logical, dimension(9) :: temp_maskVector !< temporarily from loadcase file when reading in tensors
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real(pReal), dimension(9) :: temp_valueVector = 0.0_pReal !< temporarily from loadcase file when reading in tensors (initialize to 0.0)
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logical, dimension(9) :: temp_maskVector = .false. !< temporarily from loadcase file when reading in tensors
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integer(pInt), parameter :: maxNchunksLoadcase = (1_pInt + 9_pInt)*3_pInt +& ! deformation, rotation, and stress
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(1_pInt + 1_pInt)*5_pInt +& ! time, (log)incs, temp, restartfrequency, and outputfrequency
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1_pInt ! dropguessing
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@ -195,6 +195,7 @@ program DAMASK_spectral_Driver
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case('guessreset','dropguessing')
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loadCases(currentLoadCase)%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory
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case('euler') ! rotation of currentLoadCase given in euler angles
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temp_valueVector = 0.0_pReal
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l = 0_pInt ! assuming values given in degrees
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k = 0_pInt ! assuming keyword indicating degree/radians
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select case (IO_lc(IO_stringValue(line,positions,i+1_pInt)))
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@ -18,6 +18,7 @@ module DAMASK_spectral_SolverBasicPETSc
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tSolutionState
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implicit none
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private
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#include <finclude/petscsys.h>
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#include <finclude/petscdmda.h>
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#include <finclude/petscsnes.h>
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@ -61,12 +62,15 @@ module DAMASK_spectral_SolverBasicPETSc
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logical, private :: ForwardData
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real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
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contains
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public :: basicPETSc_init, &
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basicPETSc_solution ,&
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basicPETSc_destroy
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contains
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!--------------------------------------------------------------------------------------------------
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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 BasicPETSC_init()
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subroutine basicPETSc_init()
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
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@ -101,7 +105,7 @@ subroutine BasicPETSC_init()
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#include <finclude/petscdmda.h90>
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#include <finclude/petscsnes.h90>
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integer(pInt) :: i,j,k
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real(pReal), dimension(:,:,:,:,:), allocatable :: P
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real(pReal), dimension(3,3, res(1), res(2),res(3)) :: P
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PetscScalar, dimension(:,:,:,:), pointer :: F
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PetscErrorCode :: ierr
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PetscObject :: dummy
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@ -115,7 +119,6 @@ subroutine BasicPETSC_init()
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allocate (F_lastInc (3,3, res(1), res(2),res(3)), source = 0.0_pReal)
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allocate (Fdot (3,3, res(1), res(2),res(3)), source = 0.0_pReal)
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allocate (P (3,3, res(1), res(2),res(3)), source = 0.0_pReal)
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allocate (coordinates( res(1), res(2),res(3),3), source = 0.0_pReal)
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allocate (temperature( res(1), res(2),res(3)), source = 0.0_pReal)
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@ -192,7 +195,7 @@ subroutine BasicPETSC_init()
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call Utilities_updateGamma(C,.True.)
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end subroutine BasicPETSC_init
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end subroutine basicPETSc_init
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!--------------------------------------------------------------------------------------------------
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!> @brief solution for the Basic PETSC scheme with internal iterations
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@ -310,12 +313,12 @@ else
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BasicPETSC_solution%converged = .true.
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endif
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end function BasicPETSC_solution
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end function BasicPETSc_solution
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!--------------------------------------------------------------------------------------------------
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!> @brief forms the AL residual vector
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!--------------------------------------------------------------------------------------------------
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subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
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subroutine BasicPETSC_formResidual(myIn,x_scal,f_scal,dummy,ierr)
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use numerics, only: &
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itmax, &
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@ -339,9 +342,9 @@ else
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real(pReal), dimension(3,3) :: F_aim_lab_lastIter, F_aim_lab
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DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in
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PetscScalar, dimension(3,3,XG_RANGE,YG_RANGE,ZG_RANGE) :: x_scal
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PetscScalar, dimension(3,3,X_RANGE,Y_RANGE,Z_RANGE):: f_scal
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DMDALocalInfo, dimension(*) :: myIn
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PetscScalar, dimension(3,3,res(1),res(2),res(3)) :: x_scal
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PetscScalar, dimension(3,3,res(1),res(2),res(3)):: f_scal
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PetscInt :: iter, nfuncs
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PetscObject :: dummy
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PetscErrorCode :: ierr
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@ -383,12 +386,12 @@ else
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! constructing residual
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f_scal = reshape(field_real(1:res(1),1:res(2),1:res(3),1:3,1:3),shape(x_scal),order=[3,4,5,1,2])
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write(6,'(/,a)') '=========================================================================='
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end subroutine BasicPETSC_formResidual
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end subroutine BasicPETSc_formResidual
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!--------------------------------------------------------------------------------------------------
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!> @brief convergence check
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!--------------------------------------------------------------------------------------------------
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subroutine BasicPETSC_converged(snes_local,it,xnorm,snorm,fnorm,reason,dummy,ierr)
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subroutine BasicPETSc_converged(snes_local,it,xnorm,snorm,fnorm,reason,dummy,ierr)
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use numerics, only: &
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itmax, &
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@ -431,12 +434,12 @@ else
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write(6,'(a,f6.2,a,es11.4,a)') 'error stress = ', err_stress/min(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs), &
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' (',err_stress,' Pa)'
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end subroutine BasicPETSC_converged
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end subroutine BasicPETSc_converged
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!--------------------------------------------------------------------------------------------------
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!> @brief destroy routine
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!--------------------------------------------------------------------------------------------------
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subroutine BasicPETSC_destroy()
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subroutine BasicPETSc_destroy()
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use DAMASK_spectral_Utilities, only: &
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Utilities_destroy
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@ -449,6 +452,6 @@ else
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call PetscFinalize(ierr)
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call Utilities_destroy()
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end subroutine BasicPETSC_destroy
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end subroutine BasicPETSc_destroy
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end module DAMASK_spectral_SolverBasicPETSC
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end module DAMASK_spectral_SolverBasicPETSc
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