fixed some buggy last minute changes in the last commit
This commit is contained in:
Martin Diehl
parent
4cb6c0a706
commit
7f3c24e1f1
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@ -557,7 +557,7 @@ program DAMASK_spectral_Driver
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!--------------------------------------------------------------------------------------------------
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! report summary of whole calculation
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write(6,'(/,a)') ' ##################################################################'
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write(6,'(/,a)') ' ###########################################################################'
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write(6,'(1x,i6.6,a,i6.6,a,f5.1,a)') convergedCounter, ' out of ', &
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notConvergedCounter + convergedCounter, ' (', &
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real(convergedCounter, pReal)/&
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@ -131,7 +131,7 @@ subroutine AL_init(temperature)
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IO_read_JobBinaryFile, &
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IO_write_JobBinaryFile, &
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IO_timeStamp
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use debug, only : &
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use debug, only: &
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debug_level, &
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debug_spectral, &
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debug_spectralRestart
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@ -172,7 +172,7 @@ subroutine AL_init(temperature)
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call Utilities_init()
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write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverAL init -+>>>'
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write(6,'(a)') ' $Id$'
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write(6,'(a16,a)') ' Current time : ',IO_timeStamp()
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write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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#include "compilation_info.f90"
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allocate (P (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
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@ -327,7 +327,7 @@ use mesh, only: &
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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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SNESConvergedReason :: reason
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integer(pInt) :: i, j, k
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real(pReal), dimension(3,3) :: F_lambda33
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@ -403,7 +403,8 @@ use mesh, only: &
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! update local deformation gradient
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F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! ensure that it matches rotated F_aim
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math_rotate_backward33(F_aim,rotation_BC)),[9,grid(1),grid(2),grid(3)])
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F_lambda = reshape(Utilities_forwardField(timeinc,F_lambda_lastInc,F_lambdadot), [9,grid(1),grid(2),grid(3)]) ! does not have any average value as boundary condition
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F_lambda = reshape(Utilities_forwardField(timeinc,F_lambda_lastInc,F_lambdadot), &
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[9,grid(1),grid(2),grid(3)]) ! does not have any average value as boundary condition
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if (.not. guess) then ! large strain forwarding
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do k = 1_pInt, grid(3); do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
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F_lambda33 = reshape(F_lambda(:,i,j,k),[3,3])
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@ -625,8 +626,6 @@ end subroutine AL_formResidual
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!> @brief convergence check
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!--------------------------------------------------------------------------------------------------
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subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
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use math, only: &
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math_mul3333xx33
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use numerics, only: &
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itmax, &
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itmin, &
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@ -634,8 +633,10 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
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err_div_tolAbs, &
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err_curl_tolRel, &
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err_curl_tolAbs, &
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err_stress_tolabs, &
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err_stress_tolrel
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err_stress_tolAbs, &
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err_stress_tolRel
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use math, only: &
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math_mul3333xx33
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use FEsolving, only: &
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terminallyIll
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@ -658,6 +659,9 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
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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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err_stress = maxval(abs(mask_stress * (P_av - params%P_BC))) ! mask = 0.0 for no bc
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!--------------------------------------------------------------------------------------------------
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! error calculation
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curlTol = max(maxval(abs(F_aim-math_I3))*err_curl_tolRel,err_curl_tolAbs)
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divTol = max(maxval(abs(P_av)) *err_div_tolRel,err_div_tolAbs)
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stressTol = max(maxval(abs(P_av)) *err_stress_tolrel,err_stress_tolabs)
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@ -665,8 +669,8 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
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converged: if ((totalIter >= itmin .and. &
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all([ err_div/divTol, &
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err_curl/curlTol, &
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err_stress/err_stress_tol ] < 1.0_pReal)) &
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.or. terminallyIll)
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err_stress/stressTol ] < 1.0_pReal)) &
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.or. terminallyIll) then
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reason = 1
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elseif (totalIter >= itmax) then converged
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reason = -1
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@ -74,12 +74,14 @@ module DAMASK_spectral_SolverBasicPETSc
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F_aimDot=0.0_pReal
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character(len=1024), private :: incInfo
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real(pReal), private, dimension(3,3,3,3) :: &
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C = 0.0_pReal, C_minmaxAvg = 0.0_pReal, C_lastInc= 0.0_pReal, &
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S = 0.0_pReal
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C_volAvg = 0.0_pReal, & !< current volume average stiffness
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C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
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C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
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S = 0.0_pReal !< current compliance (filled up with zeros)
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real(pReal), private :: err_stress, err_div
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logical, private :: ForwardData
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integer(pInt), private :: reportIter = 0_pInt
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integer(pInt), private :: &
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totalIter = 0_pInt !< total iteration in current increment
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real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
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public :: &
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@ -112,9 +114,9 @@ contains
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subroutine basicPETSc_init(temperature)
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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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use IO, only: &
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IO_intOut, &
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IO_read_JobBinaryFile, &
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IO_write_JobBinaryFile, &
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IO_intOut, &
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IO_timeStamp
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use debug, only: &
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debug_level, &
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@ -212,11 +214,11 @@ subroutine basicPETSc_init(temperature)
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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',trim(getSolverJobName()),size(C))
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read (777,rec=1) C
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call IO_read_jobBinaryFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
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read (777,rec=1) C_volAvg
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close (777)
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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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call IO_read_jobBinaryFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc))
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read (777,rec=1) C_volAvgLastInc
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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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@ -227,10 +229,10 @@ subroutine basicPETSc_init(temperature)
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call Utilities_constitutiveResponse(&
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reshape(F(0:8,0:grid(1)-1_pInt,0:grid(2)-1_pInt,0:grid(3)-1_pInt),[3,3,grid(1),grid(2),grid(3)]),&
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reshape(F(0:8,0:grid(1)-1_pInt,0:grid(2)-1_pInt,0:grid(3)-1_pInt),[3,3,grid(1),grid(2),grid(3)]),&
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temperature,0.0_pReal,P,C,C_minmaxAvg,temp33_Real,.false.,math_I3)
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temperature,0.0_pReal,P,C_volAvg,C_minmaxAvg,temp33_Real,.false.,math_I3)
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call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! write data back into PETSc
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if (restartInc == 1_pInt) then ! use initial stiffness as reference stiffness
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temp3333_Real = C_minmaxAvg
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temp3333_Real = C_minMaxAvg
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endif
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call Utilities_updateGamma(temp3333_Real,.True.)
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@ -257,8 +259,8 @@ type(tSolutionState) function basicPETSc_solution( &
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grid, &
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geomSize, &
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tBoundaryCondition, &
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Utilities_calculateRate, &
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Utilities_forwardField, &
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Utilities_calculateRate, &
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Utilities_maskedCompliance, &
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Utilities_updateGamma, &
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cutBack
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@ -269,21 +271,26 @@ type(tSolutionState) function basicPETSc_solution( &
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implicit none
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#include <finclude/petscdmda.h90>
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#include <finclude/petscsnes.h90>
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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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temperature_bc
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logical, intent(in):: guess
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type(tBoundaryCondition), intent(in) :: P_BC,F_BC
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temperature_bc, &
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density
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logical, intent(in) :: &
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guess
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type(tBoundaryCondition), intent(in) :: &
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P_BC, &
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F_BC
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character(len=*), intent(in) :: &
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incInfoIn
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real(pReal), dimension(3,3), intent(in) :: rotation_BC
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character(len=*), intent(in) :: incInfoIn
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real(pReal), intent(in) :: density
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!--------------------------------------------------------------------------------------------------
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!
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! PETSc Data
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PetscScalar, pointer :: F(:,:,:,:)
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PetscErrorCode :: ierr
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SNESConvergedReason :: reason
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@ -291,7 +298,7 @@ type(tSolutionState) function basicPETSc_solution( &
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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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! 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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flush(6)
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@ -304,23 +311,22 @@ type(tSolutionState) function basicPETSc_solution( &
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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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call IO_write_jobBinaryFile(777,'C',size(C))
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write (777,rec=1) C
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call IO_write_jobBinaryFile(777,'C_volAvg',size(C_volAvg))
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write (777,rec=1) C_volAvg
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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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call IO_write_jobBinaryFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
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write (777,rec=1) C_volAvgLastInc
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close(777)
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endif
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mesh_ipCoordinates = reshape(mesh_deformedCoordsFFT(geomSize,reshape(&
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F,[3,3,grid(1),grid(2),grid(3)])),[3,1,product(grid)])
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if ( cutBack) then
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if (cutBack) then
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F_aim = F_aim_lastInc
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F = reshape(F_lastInc,[9,grid(1),grid(2),grid(3)])
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C = C_lastInc
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C_volAvg = C_volAvgLastInc
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else
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C_lastInc = C
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mesh_ipCoordinates = reshape(mesh_deformedCoordsFFT(geomSize,reshape(&
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F,[3,3,grid(1),grid(2),grid(3)])),[3,1,product(grid)])
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C_volAvgLastInc = C_volAvg
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!--------------------------------------------------------------------------------------------------
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! calculate rate for aim
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@ -335,7 +341,9 @@ type(tSolutionState) function basicPETSc_solution( &
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F_aim_lastInc = F_aim
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!--------------------------------------------------------------------------------------------------
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! update rate and forward last inc
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! update coordinates and rate and forward last inc
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mesh_ipCoordinates = reshape(mesh_deformedCoordsFFT(geomSize,reshape(&
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F,[3,3,grid(1),grid(2),grid(3)])),[3,1,product(grid)])
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Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,params%rotation_BC), &
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timeinc_old,guess,F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid(3)]))
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F_lastInc2 = F_lastInc
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@ -349,7 +357,7 @@ type(tSolutionState) function basicPETSc_solution( &
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!--------------------------------------------------------------------------------------------------
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! update stiffness (and gamma operator)
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S = Utilities_maskedCompliance(rotation_BC,P_BC%maskLogical,C)
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S = Utilities_maskedCompliance(rotation_BC,P_BC%maskLogical,C_volAvg)
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if (update_gamma) call Utilities_updateGamma(C_minmaxAvg,restartWrite)
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ForwardData = .True.
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@ -374,7 +382,7 @@ type(tSolutionState) function basicPETSc_solution( &
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basicPETSC_solution%iterationsNeeded = itmax
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else
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basicPETSC_solution%converged = .true.
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basicPETSC_solution%iterationsNeeded = reportIter
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basicPETSC_solution%iterationsNeeded = totalIter
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endif
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end function BasicPETSc_solution
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@ -417,25 +425,23 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
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x_scal, &
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f_scal
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PetscInt :: &
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iter, &
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PETScIter, &
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nfuncs
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PetscObject :: dummy
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PetscErrorCode :: ierr
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call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
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call SNESGetIterationNumber(snes,iter,ierr); CHKERRQ(ierr)
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call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
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if(nfuncs== 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
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if (totalIter <= PETScIter) then ! new iteration
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!--------------------------------------------------------------------------------------------------
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! report begin of new iteration
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if (iter == 0 .and. nfuncs == 0) then ! new increment
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reportIter = -1_pInt
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endif
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if (reportIter <= iter) then ! new iteration
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reportIter = reportIter + 1_pInt
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totalIter = totalIter + 1_pInt
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write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
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' @ Iteration ', itmin, '≤',reportIter, '≤', itmax
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' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
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if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
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write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab)=', &
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write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab) =', &
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math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
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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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@ -461,7 +467,7 @@ if (params%density > 0.0_pReal) then
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!--------------------------------------------------------------------------------------------------
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! evaluate constitutive response
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call Utilities_constitutiveResponse(F_lastInc,x_scal,params%temperature,params%timeinc, &
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f_scal,C,C_minmaxAvg,P_av,ForwardData,params%rotation_BC)
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f_scal,C_volAvg,C_minmaxAvg,P_av,ForwardData,params%rotation_BC)
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ForwardData = .false.
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!--------------------------------------------------------------------------------------------------
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@ -491,12 +497,12 @@ 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,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
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use numerics, only: &
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itmax, &
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itmin, &
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err_div_TolAbs, &
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err_div_TolRel, &
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err_div_tolRel, &
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err_div_tolAbs, &
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err_stress_tolRel, &
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err_stress_tolAbs
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use math, only: &
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@ -508,7 +514,7 @@ subroutine BasicPETSc_converged(snes_local,it,xnorm,snorm,fnorm,reason,dummy,ier
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implicit none
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SNES :: snes_local
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PetscInt :: it
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PetscInt :: PETScIter
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PetscReal :: &
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xnorm, &
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snorm, &
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@ -523,10 +529,10 @@ subroutine BasicPETSc_converged(snes_local,it,xnorm,snorm,fnorm,reason,dummy,ier
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divTol = max(maxval(abs(P_av))*err_div_tolRel,err_div_tolAbs)
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stressTol = max(maxval(abs(P_av))*err_stress_tolrel,err_stress_tolabs)
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converged: if ((it >= itmin .and. &
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converged: if ((totalIter>= itmin .and. &
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all([ err_div/divTol, &
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err_stress/err_stress_tol ] < 1.0_pReal)) &
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.or. terminallyIll)
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err_stress/stressTol ] < 1.0_pReal)) &
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.or. terminallyIll) then
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reason = 1
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elseif (totalIter >= itmax) then converged
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reason = -1
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@ -601,7 +601,6 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
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!--------------------------------------------------------------------------------------------------
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! constructing residual
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e = 0_pInt
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err_p = 0.0_pReal
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do k = 1_pInt, grid(3); do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
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e = e + 1_pInt
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residual_F(1:3,1:3,i,j,k) = math_mul3333xx33(math_invSym3333(materialpoint_dPdF(:,:,:,:,1,e) + C_scale), &
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@ -635,6 +634,8 @@ subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,
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err_curl_tolAbs, &
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err_stress_tolabs, &
|
||||
err_stress_tolrel
|
||||
use math, only: &
|
||||
math_mul3333xx33
|
||||
use FEsolving, only: &
|
||||
terminallyIll
|
||||
|
||||
|
|
@ -651,21 +652,24 @@ subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,
|
|||
real(pReal) :: &
|
||||
curlTol, &
|
||||
divTol, &
|
||||
stressBC_tol
|
||||
stressTol
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! stress BC handling
|
||||
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(abs(mask_stress * (P_av - params%P_BC))) ! mask = 0.0 for no bc
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! error calculation
|
||||
curlTol = max(maxval(abs(F_aim-math_I3))*err_curl_tolRel,err_curl_tolAbs)
|
||||
divTol = max(maxval(abs(P_av)) *err_div_tolRel,err_div_tolAbs)
|
||||
stressBC_tol = max(maxval(abs(P_av)) *err_stress_tolrel,err_stress_tolabs)
|
||||
stressTol = max(maxval(abs(P_av)) *err_stress_tolrel,err_stress_tolabs)
|
||||
|
||||
converged: if ((totalIter >= itmin .and. &
|
||||
all([ err_div/divTol, &
|
||||
err_curl/curlTol, &
|
||||
err_stress/err_stress_tol ] < 1.0_pReal)) &
|
||||
.or. terminallyIll)
|
||||
err_stress/stressTol ] < 1.0_pReal)) &
|
||||
.or. terminallyIll) then
|
||||
reason = 1
|
||||
elseif (totalIter >= itmax) then converged
|
||||
reason = -1
|
||||
|
|
@ -676,12 +680,12 @@ subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! report
|
||||
write(6,'(1/,a)') ' ... reporting .............................................................'
|
||||
write(6,'(/,a,f12.2,a,es12.2,a,es12.2,a)') ' error curl = ', &
|
||||
write(6,'(/,a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', &
|
||||
err_curl/curlTol,' (',err_curl,' -, tol =',curlTol,')'
|
||||
write(6,'(a,f12.2,a,es12.8,a,es12.8,a)') ' error divergence = ', &
|
||||
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
||||
err_div/divTol, ' (',err_div,' / m, tol =',divTol,')'
|
||||
write(6,'(a,f8.2,a,es11.5,a,es11.4,a)') ' error stress BC = ', &
|
||||
err_stress/stressBC_tol, ' (',err_stress, ' Pa, tol =',stressBC_tol,')'
|
||||
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
|
||||
err_stress/stressTol, ' (',err_stress, ' Pa, tol =',stressTol,')'
|
||||
write(6,'(/,a)') ' ==========================================================================='
|
||||
flush(6)
|
||||
|
||||
|
|
|
|||
|
|
@ -650,7 +650,7 @@ real(pReal) function utilities_curlRMS()
|
|||
integer(pInt) :: i, j, k, l
|
||||
complex(pReal), dimension(3,3) :: curl_fourier
|
||||
|
||||
write(6,'(/,a)') ' ... calculating curl ................................................'
|
||||
write(6,'(/,a)') ' ... calculating curl ......................................................'
|
||||
flush(6)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculating max curl criterion in Fourier space
|
||||
|
|
|
|||
|
|
@ -331,7 +331,7 @@ subroutine numerics_init
|
|||
case ('err_div_tolabs','err_div_tolrel','err_stress_tolrel','err_stress_tolabs',& ! found spectral parameter for FEM build
|
||||
'itmax', 'itmin','memory_efficient','fftw_timelimit','fftw_plan_mode', &
|
||||
'rotation_tol','divergence_correction','update_gamma','myfilter', &
|
||||
'err_div_tolabs','err_div_tolrel', &
|
||||
'err_curl_tolabs','err_curl_tolrel', &
|
||||
'maxcutback','polaralpha','polarbeta')
|
||||
call IO_warning(40_pInt,ext_msg=tag)
|
||||
#endif
|
||||
|
|
|
|||
Loading…
Reference in New Issue