made restart working for all solvers and added corresponding test
corrected error handling for FFT based function in case of odd numbers etc.
This commit is contained in:
Martin Diehl
parent
7b87987751
commit
b1f28ba5e7
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@ -440,7 +440,7 @@ program DAMASK_spectral
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!--------------------------------------------------------------------------------------------------
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! general initialization of fftw (see manual on fftw.org for more details)
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if (pReal /= C_DOUBLE .or. pInt /= C_INT) call IO_error(error_ID=808_pInt) ! check for correct precision in C
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if (pReal /= C_DOUBLE .or. pInt /= C_INT) call IO_error(error_ID=0_pInt) ! check for correct precision in C
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!$ if(DAMASK_NumThreadsInt > 0_pInt) then
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!$ ierr = fftw_init_threads()
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!$ if (ierr == 0_pInt) call IO_error(error_ID = 809_pInt)
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@ -93,6 +93,7 @@ subroutine AL_init()
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use mesh, only: &
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res, &
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geomdim, &
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wgt, &
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mesh_NcpElems, &
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mesh_ipCoordinates
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use math, only: &
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@ -103,7 +104,12 @@ subroutine AL_init()
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#include <finclude/petscsnes.h90>
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integer(pInt) :: i,j,k
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real(pReal), dimension(3,3, res(1), res(2),res(3)) :: P
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real(pReal), dimension(3,3) :: &
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temp33_Real = 0.0_pReal
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real(pReal), dimension(3,3,3,3) :: &
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temp3333_Real = 0.0_pReal, &
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temp3333_Real2 = 0.0_pReal
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PetscErrorCode :: ierr
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PetscObject :: dummy
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PetscScalar, pointer, dimension(:,:,:,:) :: xx_psc, F, F_lambda
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@ -153,50 +159,55 @@ subroutine AL_init()
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elseif (restartInc > 1_pInt) then ! using old values from file
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if (debugRestart) write(6,'(a,i6,a)') 'Reading values of increment ',&
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restartInc - 1_pInt,' from file'
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call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad',&
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trim(getSolverJobName()),size(F_lastInc))
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flush(6)
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call IO_read_jobBinaryFile(777,'F',&
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trim(getSolverJobName()),size(F))
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read (777,rec=1) F
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close (777)
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call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad_lastInc',&
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call IO_read_jobBinaryFile(777,'F_lastInc',&
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trim(getSolverJobName()),size(F_lastInc))
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read (777,rec=1) F_lastInc
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close (777)
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call IO_read_jobBinaryFile(777,'convergedSpectralDefgradLambda',&
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trim(getSolverJobName()),size(F_lambda_lastInc))
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F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
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F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
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call IO_read_jobBinaryFile(777,'F_lambda',&
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trim(getSolverJobName()),size(F_lambda))
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read (777,rec=1) F_lambda
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close (777)
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call IO_read_jobBinaryFile(777,'convergedSpectralDefgradLambda_lastInc',&
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trim(getSolverJobName()),size(F_lambda_lastInc))
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call IO_read_jobBinaryFile(777,'F_lambda_lastInc',&
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trim(getSolverJobName()),size(F_lambda_lastInc))
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read (777,rec=1) F_lambda_lastInc
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close (777)
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call IO_read_jobBinaryFile(777,'F_aim',trim(getSolverJobName()),size(F_aim))
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read (777,rec=1) F_aim
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call IO_read_jobBinaryFile(777,'C_lastInc',trim(getSolverJobName()),size(C_lastInc))
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read (777,rec=1) C_lastInc
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close (777)
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call IO_read_jobBinaryFile(777,'F_aim_lastInc',trim(getSolverJobName()),size(F_aim_lastInc))
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read (777,rec=1) F_aim_lastInc
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call IO_read_jobBinaryFile(777,'C',trim(getSolverJobName()),size(C))
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read (777,rec=1) C
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close (777)
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call IO_read_jobBinaryFile(777,'F_aimDot',trim(getSolverJobName()),size(f_aimDot))
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read (777,rec=1) f_aimDot
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close (777)
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call IO_read_jobBinaryFile(777,'C_ref',trim(getSolverJobName()),size(temp3333_Real))
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read (777,rec=1) temp3333_Real
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close (777)
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endif
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mesh_ipCoordinates = 0.0_pReal !reshape(mesh_deformedCoordsFFT(geomdim,&
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!reshape(F,[3,3,res(1),res(2),res(3)])),[3,1,mesh_NcpElems])
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call Utilities_constitutiveResponse(F,F,temperature,0.0_pReal,P,C,P_av,.false.,math_I3)
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call Utilities_constitutiveResponse(F,F,temperature,0.0_pReal,P,temp3333_Real2,&
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temp33_Real,.false.,math_I3)
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call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr)
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CHKERRQ(ierr)
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!--------------------------------------------------------------------------------------------------
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! reference stiffness
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if (restartInc == 1_pInt) then
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call IO_write_jobBinaryFile(777,'C_ref',size(C))
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write (777,rec=1) C
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close(777)
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elseif (restartInc > 1_pInt) then
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call IO_read_jobBinaryFile(777,'C_ref',trim(getSolverJobName()),size(C))
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read (777,rec=1) C
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close (777)
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endif
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if (restartInc == 1_pInt) then ! use initial stiffness as reference stiffness
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temp3333_Real = temp3333_Real2
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C = temp3333_Real2
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endif
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call Utilities_updateGamma(C,.True.)
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C_scale = C
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S_scale = math_invSym3333(C)
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call Utilities_updateGamma(temp3333_Real,.True.)
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C_scale = temp3333_Real
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S_scale = math_invSym3333(temp3333_Real)
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end subroutine AL_init
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@ -239,35 +250,46 @@ type(tSolutionState) function &
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type(tBoundaryCondition), intent(in) :: P_BC,F_BC
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character(len=*), intent(in) :: incInfoIn
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real(pReal), dimension(3,3), intent(in) :: rotation_BC
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real(pReal), dimension(3,3) ,save :: F_aimDot
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real(pReal), dimension(3,3) :: F_aim_lab
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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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!--------------------------------------------------------------------------------------------------
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! PETSc Data
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PetscScalar, dimension(:,:,:,:), pointer :: xx_psc, F, F_lambda
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PetscErrorCode :: ierr
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SNESConvergedReason ::reason
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incInfo = incInfoIn
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call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr)
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F => xx_psc(0:8,:,:,:)
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F_lambda => xx_psc(9:17,:,:,:)
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!--------------------------------------------------------------------------------------------------
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! restart information for spectral solver
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incInfo = incInfoIn
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if (restartWrite) then
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write(6,'(a)') 'writing converged results for restart'
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call IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(F_lastInc))
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write (777,rec=1) F_LastInc
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call IO_write_jobBinaryFile(777,'F',size(F)) ! writing deformation gradient field to file
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write (777,rec=1) F
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close (777)
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call IO_write_jobBinaryFile(777,'F_lastInc',size(F_lastInc)) ! writing F_lastInc field to file
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write (777,rec=1) F_lastInc
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close (777)
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call IO_write_jobBinaryFile(777,'F_lambda',size(F_lambda)) ! writing deformation gradient field to file
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write (777,rec=1) F_lambda
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close (777)
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call IO_write_jobBinaryFile(777,'F_lambda_lastInc',size(F_lambda_lastInc)) ! writing F_lastInc field to file
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write (777,rec=1) F_lambda_lastInc
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close (777)
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call IO_write_jobBinaryFile(777,'C',size(C))
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write (777,rec=1) C
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close(777)
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call IO_write_jobBinaryFile(777,'C_lastInc',size(C_lastInc))
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write (777,rec=1) C_lastInc
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close(777)
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call IO_write_jobBinaryFile(777,'F_aimDot',size(F_aimDot))
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write (777,rec=1) F_aimDot
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close(777)
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endif
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AL_solution%converged =.false.
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call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr)
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F => xx_psc(0:8,:,:,:)
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F_lambda => xx_psc(9:17,:,:,:)
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if ( cutBack) then
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F_aim = F_aim_lastInc
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@ -97,11 +97,11 @@ subroutine basic_init()
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elseif (restartInc > 1_pInt) then ! using old values from file
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if (debugRestart) write(6,'(a,'//IO_intOut(restartInc-1_pInt)//',a)') &
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'Reading values of increment', restartInc - 1_pInt, 'from file'
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call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad',&
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call IO_read_jobBinaryFile(777,'F',&
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trim(getSolverJobName()),size(F))
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read (777,rec=1) F
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close (777)
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call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad_lastInc',&
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call IO_read_jobBinaryFile(777,'F_lastInc',&
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trim(getSolverJobName()),size(F_lastInc))
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read (777,rec=1) F_lastInc
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close (777)
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@ -216,10 +216,10 @@ type(tSolutionState) function &
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! write restart information for spectral solver
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if (restartWrite) then
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write(6,'(a)') 'writing converged results for restart'
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call IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(F)) ! writing deformation gradient field to file
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call IO_write_jobBinaryFile(777,'F',size(F)) ! writing deformation gradient field to file
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write (777,rec=1) F
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close (777)
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call IO_write_jobBinaryFile(777,'convergedSpectralDefgrad_lastInc',size(F_lastInc)) ! writing F_lastInc field to file
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call IO_write_jobBinaryFile(777,'F_lastInc',size(F_lastInc)) ! writing F_lastInc field to file
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write (777,rec=1) F_lastInc
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close (777)
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call IO_write_jobBinaryFile(777,'C',size(C))
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@ -150,11 +150,11 @@ subroutine basicPETSc_init()
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if (debugRestart) write(6,'(a,i6,a)') 'Reading values of increment ',&
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restartInc - 1_pInt,' from file'
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flush(6)
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call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad',&
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call IO_read_jobBinaryFile(777,'F',&
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trim(getSolverJobName()),size(F))
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read (777,rec=1) F
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close (777)
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call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad_lastInc',&
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call IO_read_jobBinaryFile(777,'F_lastInc',&
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trim(getSolverJobName()),size(F_lastInc))
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read (777,rec=1) F_lastInc
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close (777)
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@ -167,8 +167,8 @@ subroutine basicPETSc_init()
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call IO_read_jobBinaryFile(777,'C',trim(getSolverJobName()),size(C))
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read (777,rec=1) C
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close (777)
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call IO_read_jobBinaryFile(777,'F_aimDot',trim(getSolverJobName()),size(f_aimDot))
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read (777,rec=1) f_aimDot
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call IO_read_jobBinaryFile(777,'F_aimDot',trim(getSolverJobName()),size(F_aimDot))
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read (777,rec=1) F_aimDot
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close (777)
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call IO_read_jobBinaryFile(777,'C_ref',trim(getSolverJobName()),size(temp3333_Real))
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read (777,rec=1) temp3333_Real
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@ -243,14 +243,15 @@ type(tSolutionState) function &
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incInfo = incInfoIn
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call DMDAVecGetArrayF90(da,solution_vec,F,ierr)
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!--------------------------------------------------------------------------------------------------
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! write restart information for spectral solver
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if (restartWrite) then
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write(6,'(a)') 'writing converged results for restart'
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call IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(F)) ! writing deformation gradient field to file
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call IO_write_jobBinaryFile(777,'F',size(F)) ! writing deformation gradient field to file
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write (777,rec=1) F
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close (777)
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call IO_write_jobBinaryFile(777,'convergedSpectralDefgrad_lastInc',size(F_lastInc)) ! writing F_lastInc field to file
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call IO_write_jobBinaryFile(777,'F_lastInc',size(F_lastInc)) ! writing F_lastInc field to file
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write (777,rec=1) F_lastInc
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close (777)
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call IO_write_jobBinaryFile(777,'C',size(C))
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@ -259,8 +260,8 @@ type(tSolutionState) function &
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call IO_write_jobBinaryFile(777,'C_lastInc',size(C_lastInc))
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write (777,rec=1) C_lastInc
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close(777)
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call IO_write_jobBinaryFile(777,'F_aimDot',size(f_aimDot))
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write (777,rec=1) f_aimDot
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call IO_write_jobBinaryFile(777,'F_aimDot',size(F_aimDot))
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write (777,rec=1) F_aimDot
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close(777)
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endif
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mesh_ipCoordinates = reshape(mesh_deformedCoordsFFT(geomdim,reshape(F,[3,3,res(1),res(2),res(3)])),&
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@ -145,7 +145,7 @@ subroutine utilities_init()
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!--------------------------------------------------------------------------------------------------
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! general initialization of FFTW (see manual on fftw.org for more details)
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if (pReal /= C_DOUBLE .or. pInt /= C_INT) call IO_error(error_ID=808_pInt) ! check for correct precision in C
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if (pReal /= C_DOUBLE .or. pInt /= C_INT) call IO_error(0_pInt,ext_msg='Fortran to C') ! check for correct precision in C
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!$ if(DAMASK_NumThreadsInt > 0_pInt) then
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!$ i = fftw_init_threads() ! returns 0 in case of problem
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!$ if (i == 0_pInt) call IO_error(error_ID = 809_pInt)
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@ -588,7 +588,7 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
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c_reduced(k,j) = temp99_Real(n,m)
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endif; enddo; endif; enddo
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call math_invert(size_reduced, c_reduced, s_reduced, errmatinv) ! invert reduced stiffness
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if(errmatinv) call IO_error(error_ID=400_pInt)
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if(errmatinv) call IO_error(error_ID=400_pInt,ext_msg='utilities_maskedCompliance')
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temp99_Real = 0.0_pReal ! fill up compliance with zeros
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k = 0_pInt
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do n = 1_pInt,9_pInt
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@ -615,7 +615,7 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
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write(6,trim(formatString),advance='no') 'C * S', transpose(matmul(c_reduced,s_reduced))
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write(6,trim(formatString),advance='no') 'S', transpose(s_reduced)
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endif
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if(errmatinv) call IO_error(error_ID=400_pInt)
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if(errmatinv) call IO_error(error_ID=400_pInt,ext_msg='utilities_maskedCompliance')
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deallocate(c_reduced)
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deallocate(s_reduced)
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deallocate(sTimesC)
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@ -70,3 +70,4 @@ divergence_correction 0 # Use dimension-independent divergence cr
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myspectralsolver basic # Type of spectral solver (basic: basic, basicPETSc: basic with PETSc, AL: augmented Lagrange)
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myfilter none # Type of filtering method to mitigate Gibb's phenomenon (none, cosine, ...)
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petsc_options -snes_type ngmres -snes_ngmres_anderson -snes_view # PetSc solver options
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regridMode 0 # 0: no regrid; 1: regrid if DAMASK doesn't converge; 2: regrid if DAMASK or BVP Solver doesn't converge
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@ -2869,16 +2869,22 @@ function math_curlFFT(geomdim,field)
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res = [size(field,1),size(field,2),size(field,3)]
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vec_tens = size(field,4)
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if (vec_tens /= 1_pInt .and. vec_tens /= 3_pInt) call IO_error(0_pInt, &
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ext_msg = 'Curl: invalid data dimension')
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if (iand(debug_level(debug_math),debug_levelBasic) /= 0_pInt) then
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if (vec_tens == 1_pInt) print*, 'Calculating curl of vector field'
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if (vec_tens == 3_pInt) print*, 'Calculating curl of tensor field'
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print '(a,3(e12.5))', ' Dimension: ', geomdim
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print '(a,3(i5))', ' Resolution:', res
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endif
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if (vec_tens /= 1_pInt .and. vec_tens /= 3_pInt) &
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call IO_error(0_pInt, ext_msg = 'Invalid data type in math_curlFFT')
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if ((mod(res(3),2_pInt)/=0_pInt .and. res(3) /= 1_pInt) .or. &
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mod(res(2),2_pInt)/=0_pInt .or. &
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mod(res(1),2_pInt)/=0_pInt) &
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call IO_error(0_pInt,ext_msg='Resolution in math_curlFFT')
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if (pReal /= C_DOUBLE .or. pInt /= C_INT) &
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call IO_error(0_pInt,ext_msg='Fortran to C in math_curlFFT')
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wgt = 1.0_pReal/real(res(1)*res(2)*res(3),pReal)
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res1_red = res(1)/2_pInt + 1_pInt ! size of complex array in first dimension (c2r, r2c)
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@ -2995,8 +3001,6 @@ function math_divergenceFFT(geomdim,field)
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res = [size(field,1),size(field,2),size(field,3)]
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vec_tens = size(field,4)
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if (vec_tens /= 1_pInt .and. vec_tens /= 3_pInt) call IO_error(0_pInt, &
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ext_msg = 'Divergence: invalid data dimension')
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if (iand(debug_level(debug_math),debug_levelBasic) /= 0_pInt) then
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if (vec_tens == 1_pInt) print*, 'Calculating divergence of vector field'
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@ -3004,7 +3008,15 @@ function math_divergenceFFT(geomdim,field)
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print '(a,3(e12.5))', ' Dimension: ', geomdim
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print '(a,3(i5))', ' Resolution:', res
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endif
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if (vec_tens /= 1_pInt .and. vec_tens /= 3_pInt) &
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call IO_error(0_pInt, ext_msg = 'Invalid data type in math_divergenceFFT')
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if ((mod(res(3),2_pInt)/=0_pInt .and. res(3) /= 1_pInt) .or. &
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mod(res(2),2_pInt)/=0_pInt .or. &
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mod(res(1),2_pInt)/=0_pInt) &
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call IO_error(0_pInt,ext_msg='Resolution in math_divergenceFFT')
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if (pReal /= C_DOUBLE .or. pInt /= C_INT) &
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||||
call IO_error(0_pInt,ext_msg='Fortran to C in math_divergenceFFT')
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||||
res1_red = res(1)/2_pInt + 1_pInt ! size of complex array in first dimension (c2r, r2c)
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||||
wgt = 1.0_pReal/real(res(1)*res(2)*res(3),pReal)
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||||
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@ -3081,6 +3093,7 @@ end function math_divergenceFFT
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!--------------------------------------------------------------------------------------------------
|
||||
function math_divergenceFDM(geomdim,order,field)
|
||||
|
||||
use IO, only: IO_error
|
||||
use debug, only: debug_math, &
|
||||
debug_level, &
|
||||
debug_levelBasic
|
||||
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|
@ -3111,6 +3124,9 @@ function math_divergenceFDM(geomdim,order,field)
|
|||
print '(a,3(i5))', ' Resolution:', res
|
||||
endif
|
||||
|
||||
if (vec_tens /= 1_pInt .and. vec_tens /= 3_pInt) &
|
||||
call IO_error(0_pInt, ext_msg = 'Invalid data type in math_divergenceFDM')
|
||||
|
||||
math_divergenceFDM = 0.0_pReal
|
||||
do k = 0_pInt, res(3)-1_pInt; do j = 0_pInt, res(2)-1_pInt; do i = 0_pInt, res(1)-1_pInt
|
||||
do m = 1_pInt, order + 1_pInt
|
||||
|
|
|
|||
|
|
@ -382,7 +382,6 @@ subroutine mesh_init(ip,element)
|
|||
use DAMASK_interface
|
||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
||||
use IO, only: &
|
||||
IO_error, &
|
||||
#ifdef Abaqus
|
||||
IO_abaqus_hasNoPart, &
|
||||
#endif
|
||||
|
|
@ -1045,8 +1044,6 @@ end subroutine mesh_spectral_count_cpSizes
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine mesh_spectral_build_nodes()
|
||||
|
||||
use IO, only: &
|
||||
IO_error
|
||||
use numerics, only: numerics_unitlength
|
||||
|
||||
implicit none
|
||||
|
|
@ -2018,8 +2015,12 @@ function mesh_deformedCoordsFFT(geomdim,F,scalingIn,FavgIn)
|
|||
|
||||
res1_red = res(1)/2_pInt + 1_pInt ! size of complex array in first dimension (c2r, r2c)
|
||||
step = geomdim/real(res, pReal)
|
||||
|
||||
if (pReal /= C_DOUBLE .or. pInt /= C_INT) call IO_error(error_ID=808_pInt)
|
||||
if ((mod(res(3),2_pInt)/=0_pInt .and. res(3) /= 1_pInt) .or. &
|
||||
mod(res(2),2_pInt)/=0_pInt .or. &
|
||||
mod(res(1),2_pInt)/=0_pInt) &
|
||||
call IO_error(0_pInt,ext_msg='Resolution in mesh_deformedCoordsFFT')
|
||||
if (pReal /= C_DOUBLE .or. pInt /= C_INT) &
|
||||
call IO_error(0_pInt,ext_msg='Fortran to C in mesh_deformedCoordsFFT')
|
||||
call fftw_set_timelimit(fftw_timelimit)
|
||||
defgrad_fftw = fftw_alloc_complex(int(res1_red *res(2)*res(3)*9_pInt,C_SIZE_T)) !C_SIZE_T is of type integer(8)
|
||||
call c_f_pointer(defgrad_fftw, F_real, [res(1)+2_pInt,res(2),res(3),3_pInt,3_pInt])
|
||||
|
|
|
|||
|
|
@ -339,8 +339,10 @@ subroutine numerics_init
|
|||
end select
|
||||
#endif
|
||||
#ifdef PETSc
|
||||
call PetscOptionsInsertString(petsc_options,ierr)
|
||||
write(6,'(a)') ' Initializing PETSc'
|
||||
call PetscOptionsClear(ierr)
|
||||
CHKERRQ(ierr)
|
||||
call PetscOptionsInsertString(petsc_options,ierr)
|
||||
CHKERRQ(ierr)
|
||||
#endif
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue