restart for grid mech FEM now working
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@ -21,9 +21,6 @@ module grid_mech_FEM
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implicit none
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implicit none
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private
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private
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character (len=*), parameter, public :: &
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grid_mech_FEM_label = 'fem'
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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! derived types
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! derived types
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type(tSolutionParams), private :: params
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type(tSolutionParams), private :: params
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@ -76,13 +73,10 @@ contains
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!> @brief allocates all necessary fields and fills them with data, potentially from restart info
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!> @brief allocates all necessary fields and fills them with data, potentially from restart info
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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subroutine grid_mech_FEM_init
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subroutine grid_mech_FEM_init
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use IO, only: &
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use IO, only: &
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IO_intOut, &
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IO_intOut, &
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IO_error
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IO_error, &
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use debug, only: &
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IO_open_jobFile_binary
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debug_level, &
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debug_spectral, &
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debug_spectralRestart
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use FEsolving, only: &
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use FEsolving, only: &
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restartInc
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restartInc
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use numerics, only: &
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use numerics, only: &
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@ -120,10 +114,12 @@ subroutine grid_mech_FEM_init
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1.0_pReal, 1.0_pReal, 1.0_pReal, 1.0_pReal], [4,8])
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1.0_pReal, 1.0_pReal, 1.0_pReal, 1.0_pReal], [4,8])
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PetscErrorCode :: ierr
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PetscErrorCode :: ierr
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integer(pInt) :: rank
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integer(pInt) :: rank
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integer :: fileUnit
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character(len=1024) :: rankStr
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character(len=1024) :: rankStr
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real(pReal), dimension(3,3,3,3) :: devNull
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real(pReal), dimension(3,3,3,3) :: devNull
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PetscScalar, pointer, dimension(:,:,:,:) :: &
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PetscScalar, pointer, dimension(:,:,:,:) :: &
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u_current,u_lastincrement,u_rate
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u_current,u_lastincrement,u_rate
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write(6,'(/,a)') ' <<<+- grid_mech_FEM init -+>>>'
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write(6,'(/,a)') ' <<<+- grid_mech_FEM init -+>>>'
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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@ -165,11 +161,11 @@ subroutine grid_mech_FEM_init
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call DMCreateGlobalVector(mech_grid,solution_current,ierr); CHKERRQ(ierr)
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call DMCreateGlobalVector(mech_grid,solution_current,ierr); CHKERRQ(ierr)
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call DMCreateGlobalVector(mech_grid,solution_lastInc,ierr); CHKERRQ(ierr)
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call DMCreateGlobalVector(mech_grid,solution_lastInc,ierr); CHKERRQ(ierr)
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call DMCreateGlobalVector(mech_grid,solution_rate ,ierr); CHKERRQ(ierr)
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call DMCreateGlobalVector(mech_grid,solution_rate ,ierr); CHKERRQ(ierr)
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call DMSNESSetFunctionLocal(mech_grid,grid_mech_FEM_formResidual,PETSC_NULL_SNES,ierr)
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call DMSNESSetFunctionLocal(mech_grid,formResidual,PETSC_NULL_SNES,ierr)
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CHKERRQ(ierr)
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CHKERRQ(ierr)
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call DMSNESSetJacobianLocal(mech_grid,grid_mech_FEM_formJacobian,PETSC_NULL_SNES,ierr)
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call DMSNESSetJacobianLocal(mech_grid,formJacobian,PETSC_NULL_SNES,ierr)
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CHKERRQ(ierr)
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CHKERRQ(ierr)
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call SNESSetConvergenceTest(mech_snes,grid_mech_FEM_converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr)
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call SNESSetConvergenceTest(mech_snes,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr)
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CHKERRQ(ierr) ! specify custom convergence check function "_converged"
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CHKERRQ(ierr) ! specify custom convergence check function "_converged"
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call SNESSetMaxLinearSolveFailures(mech_snes, huge(1), ierr); CHKERRQ(ierr) ! ignore linear solve failures
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call SNESSetMaxLinearSolveFailures(mech_snes, huge(1), ierr); CHKERRQ(ierr) ! ignore linear solve failures
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call SNESSetFromOptions(mech_snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
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call SNESSetFromOptions(mech_snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
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@ -197,38 +193,39 @@ subroutine grid_mech_FEM_init
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-1.0_pReal/delta(1),-1.0_pReal/delta(2), 1.0_pReal/delta(3), &
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-1.0_pReal/delta(1),-1.0_pReal/delta(2), 1.0_pReal/delta(3), &
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1.0_pReal/delta(1),-1.0_pReal/delta(2), 1.0_pReal/delta(3), &
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1.0_pReal/delta(1),-1.0_pReal/delta(2), 1.0_pReal/delta(3), &
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-1.0_pReal/delta(1), 1.0_pReal/delta(2), 1.0_pReal/delta(3), &
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-1.0_pReal/delta(1), 1.0_pReal/delta(2), 1.0_pReal/delta(3), &
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1.0_pReal/delta(1), 1.0_pReal/delta(2), 1.0_pReal/delta(3)],pReal), [3,8])/4.0_pReal ! shape function derivative matrix
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1.0_pReal/delta(1), 1.0_pReal/delta(2), 1.0_pReal/delta(3)],pReal), [3,8])/4.0_pReal ! shape function derivative matrix
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HGMat = matmul(transpose(HGcomp),HGcomp) &
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HGMat = matmul(transpose(HGcomp),HGcomp) &
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* HGCoeff*(delta(1)*delta(2) + delta(2)*delta(3) + delta(3)*delta(1))/16.0_pReal ! hourglass stabilization matrix
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* HGCoeff*(delta(1)*delta(2) + delta(2)*delta(3) + delta(3)*delta(1))/16.0_pReal ! hourglass stabilization matrix
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restart: if (restartInc > 0_pInt) then
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!--------------------------------------------------------------------------------------------------
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if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0) then
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! init fields
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write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
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restart: if (restartInc > 0) then
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'reading values of increment ', restartInc, ' from file'
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write(6,'(/,a,'//IO_intOut(restartInc)//',a)') 'reading values of increment ', restartInc, ' from file'
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flush(6)
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endif
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fileUnit = IO_open_jobFile_binary('F_aimDot')
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!write(rankStr,'(a1,i0)')'_',worldrank
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read(fileUnit) F_aimDot; close(fileUnit)
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!call IO_read_realFile(777,'F'//trim(rankStr),trim(getSolverJobName()),size(F))
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!read (777,rec=1) F; close (777)
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write(rankStr,'(a1,i0)')'_',worldrank
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!call IO_read_realFile(777,'F_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lastInc))
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!read (777,rec=1) F_lastInc; close (777)
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fileUnit = IO_open_jobFile_binary('F'//trim(rankStr))
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!call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(F_aimDot))
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read(fileUnit) F; close (fileUnit)
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!read (777,rec=1) F_aimDot; close (777)
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fileUnit = IO_open_jobFile_binary('F_lastInc'//trim(rankStr))
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!call IO_read_realFile(777,'u_current'//trim(rankStr),trim(getSolverJobName()),size(u_current))
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read(fileUnit) F_lastInc; close (fileUnit)
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!read (777,rec=1) u_current; close (777)
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fileUnit = IO_open_jobFile_binary('u'//trim(rankStr))
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!call IO_read_realFile(777,'u_lastincrement'//trim(rankStr),trim(getSolverJobName()),size(u_lastincrement))
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read(fileUnit) u_current; close (fileUnit)
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!read (777,rec=1) u_lastincrement; close (777)
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fileUnit = IO_open_jobFile_binary('u_lastInc'//trim(rankStr))
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read(fileUnit) u_lastincrement; close (fileUnit)
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F_aim = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt ! average of F
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F_aim = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt ! average of F
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call MPI_Allreduce(MPI_IN_PLACE,F_aim,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
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call MPI_Allreduce(MPI_IN_PLACE,F_aim,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
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if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='F_aim')
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if(ierr /=0) call IO_error(894, ext_msg='F_aim')
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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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F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt! average of F_lastInc
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call MPI_Allreduce(MPI_IN_PLACE,F_aim_lastInc,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
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call MPI_Allreduce(MPI_IN_PLACE,F_aim_lastInc,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
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if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='F_aim_lastInc')
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if(ierr /=0) call IO_error(894, ext_msg='F_aim_lastInc')
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elseif (restartInc == 0_pInt) then restart
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elseif (restartInc == 0) then restart
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F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
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F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
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F = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3)
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F = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3)
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endif restart
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endif restart
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materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
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materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
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call Utilities_updateIPcoords(F)
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call Utilities_updateIPcoords(F)
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@ -242,14 +239,11 @@ subroutine grid_mech_FEM_init
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CHKERRQ(ierr)
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CHKERRQ(ierr)
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restartRead: if (restartInc > 0_pInt) then
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restartRead: if (restartInc > 0_pInt) then
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if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0 .and. worldrank == 0_pInt) &
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write(6,'(/,a,'//IO_intOut(restartInc)//',a)') 'reading more values of increment ', restartInc, ' from file'
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write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
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fileUnit = IO_open_jobFile_binary('C_volAvg')
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'reading more values of increment ', restartInc, ' from file'
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read(fileUnit) C_volAvg; close(fileUnit)
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flush(6)
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fileUnit = IO_open_jobFile_binary('C_volAvgLastInv')
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!call IO_read_realFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
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read(fileUnit) C_volAvgLastInc; close(fileUnit)
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!read (777,rec=1) C_volAvg; close (777)
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!call IO_read_realFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc))
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!read (777,rec=1) C_volAvgLastInc; close (777)
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endif restartRead
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endif restartRead
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end subroutine grid_mech_FEM_init
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end subroutine grid_mech_FEM_init
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@ -314,15 +308,198 @@ function grid_mech_FEM_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation
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solution%termIll = terminallyIll
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solution%termIll = terminallyIll
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terminallyIll = .false.
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terminallyIll = .false.
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if (reason == SNES_DIVERGED_FNORM_NAN) call IO_error(893_pInt)
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end function grid_mech_FEM_solution
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end function grid_mech_FEM_solution
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!--------------------------------------------------------------------------------------------------
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!> @brief forwarding routine
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!> @details find new boundary conditions and best F estimate for end of current timestep
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!> possibly writing restart information, triggering of state increment in DAMASK, and updating of IPcoordinates
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!--------------------------------------------------------------------------------------------------
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subroutine grid_mech_FEM_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
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use math, only: &
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math_mul33x33 ,&
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math_rotate_backward33
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use numerics, only: &
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worldrank
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use homogenization, only: &
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materialpoint_F0
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use mesh, only: &
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grid, &
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grid3
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use CPFEM2, only: &
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CPFEM_age
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use spectral_utilities, only: &
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utilities_updateIPcoords, &
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tBoundaryCondition, &
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cutBack
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use IO, only: &
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IO_open_jobFile_binary
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use FEsolving, only: &
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restartWrite
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implicit none
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logical, intent(in) :: &
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guess
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real(pReal), intent(in) :: &
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timeinc_old, &
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timeinc, &
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loadCaseTime !< remaining time of current load case
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type(tBoundaryCondition), intent(in) :: &
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stress_BC, &
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deformation_BC
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real(pReal), dimension(3,3), intent(in) :: &
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rotation_BC
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PetscErrorCode :: ierr
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integer :: fileUnit
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character(len=32) :: rankStr
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PetscScalar, pointer, dimension(:,:,:,:) :: &
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u_current,u_lastincrement,u_rate
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call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr)
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call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastincrement,ierr); CHKERRQ(ierr)
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if (cutBack) then
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C_volAvg = C_volAvgLastInc ! QUESTION: where is this required?
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else
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!--------------------------------------------------------------------------------------------------
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! restart information for spectral solver
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if (restartWrite) then ! QUESTION: where is this logical properly set?
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write(6,'(/,a)') ' writing converged results for restart'
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flush(6)
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if (worldrank == 0) then
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fileUnit = IO_open_jobFile_binary('C_volAvg','w')
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write(fileUnit) C_volAvg; close(fileUnit)
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fileUnit = IO_open_jobFile_binary('C_volAvgLastInv','w')
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write(fileUnit) C_volAvgLastInc; close(fileUnit)
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fileUnit = IO_open_jobFile_binary('F_aimDot','w')
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write(fileUnit) F_aimDot; close(fileUnit)
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endif
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write(rankStr,'(a1,i0)')'_',worldrank
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fileUnit = IO_open_jobFile_binary('F'//trim(rankStr),'w')
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write(fileUnit) F; close (fileUnit)
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fileUnit = IO_open_jobFile_binary('F_lastInc'//trim(rankStr),'w')
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write(fileUnit) F_lastInc; close (fileUnit)
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fileUnit = IO_open_jobFile_binary('u'//trim(rankStr),'w')
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write(fileUnit) u_current; close (fileUnit)
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fileUnit = IO_open_jobFile_binary('u_lastInc'//trim(rankStr),'w')
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write(fileUnit) u_lastincrement; close (fileUnit)
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endif
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call CPFEM_age() ! age state and kinematics
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call utilities_updateIPcoords(F)
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C_volAvgLastInc = C_volAvg
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F_aimDot = merge(stress_BC%maskFloat*(F_aim-F_aim_lastInc)/timeinc_old, 0.0_pReal, guess)
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F_aim_lastInc = F_aim
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!--------------------------------------------------------------------------------------------------
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! calculate rate for aim
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if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F
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F_aimDot = &
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F_aimDot + deformation_BC%maskFloat * math_mul33x33(deformation_BC%values, F_aim_lastInc)
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elseif(deformation_BC%myType=='fdot') then ! F_aimDot is prescribed
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F_aimDot = &
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F_aimDot + deformation_BC%maskFloat * deformation_BC%values
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elseif (deformation_BC%myType=='f') then ! aim at end of load case is prescribed
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F_aimDot = &
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F_aimDot + deformation_BC%maskFloat * (deformation_BC%values - F_aim_lastInc)/loadCaseTime
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endif
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if (guess) then
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call VecWAXPY(solution_rate,-1.0,solution_lastInc,solution_current,ierr)
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CHKERRQ(ierr)
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call VecScale(solution_rate,1.0/timeinc_old,ierr); CHKERRQ(ierr)
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else
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call VecSet(solution_rate,0.0,ierr); CHKERRQ(ierr)
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endif
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call VecCopy(solution_current,solution_lastInc,ierr); CHKERRQ(ierr)
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F_lastInc = F ! winding F forward
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materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
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endif
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!--------------------------------------------------------------------------------------------------
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! update average and local deformation gradients
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F_aim = F_aim_lastInc + F_aimDot * timeinc
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call VecAXPY(solution_current,timeinc,solution_rate,ierr); CHKERRQ(ierr)
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call DMDAVecRestoreArrayF90(mech_grid,solution_current,u_current,ierr)
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CHKERRQ(ierr)
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call DMDAVecRestoreArrayF90(mech_grid,solution_lastInc,u_lastincrement,ierr)
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CHKERRQ(ierr)
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end subroutine grid_mech_FEM_forward
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!--------------------------------------------------------------------------------------------------
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!> @brief convergence check
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!--------------------------------------------------------------------------------------------------
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subroutine converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
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use mesh
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use spectral_utilities
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use numerics, only: &
|
||||||
|
itmax, &
|
||||||
|
itmin, &
|
||||||
|
err_div_tolRel, &
|
||||||
|
err_div_tolAbs, &
|
||||||
|
err_stress_tolRel, &
|
||||||
|
err_stress_tolAbs
|
||||||
|
use FEsolving, only: &
|
||||||
|
terminallyIll
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
SNES :: snes_local
|
||||||
|
PetscInt :: PETScIter
|
||||||
|
PetscReal :: &
|
||||||
|
xnorm, & ! not used
|
||||||
|
snorm, & ! not used
|
||||||
|
fnorm
|
||||||
|
SNESConvergedReason :: reason
|
||||||
|
PetscObject :: dummy
|
||||||
|
PetscErrorCode :: ierr
|
||||||
|
real(pReal) :: &
|
||||||
|
err_div, &
|
||||||
|
divTol, &
|
||||||
|
BCTol
|
||||||
|
|
||||||
|
err_div = fnorm*sqrt(wgt)*geomSize(1)/scaledGeomSize(1)/detJ
|
||||||
|
divTol = max(maxval(abs(P_av))*err_div_tolRel ,err_div_tolAbs)
|
||||||
|
BCTol = max(maxval(abs(P_av))*err_stress_tolRel,err_stress_tolAbs)
|
||||||
|
|
||||||
|
|
||||||
|
if ((totalIter >= itmin -1 .and. &
|
||||||
|
all([ err_div/divTol, &
|
||||||
|
err_BC /BCTol ] < 1.0_pReal)) &
|
||||||
|
.or. terminallyIll) then
|
||||||
|
reason = 1
|
||||||
|
elseif (totalIter >= itmax) then
|
||||||
|
reason = -1
|
||||||
|
else
|
||||||
|
reason = 0
|
||||||
|
endif
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! report
|
||||||
|
write(6,'(1/,a)') ' ... reporting .............................................................'
|
||||||
|
write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
||||||
|
err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')'
|
||||||
|
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
|
||||||
|
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
||||||
|
write(6,'(/,a)') ' ==========================================================================='
|
||||||
|
flush(6)
|
||||||
|
|
||||||
|
end subroutine converged
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief forms the residual vector
|
!> @brief forms the residual vector
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine grid_mech_FEM_formResidual(da_local,x_local,f_local,dummy,ierr)
|
subroutine formResidual(da_local,x_local,f_local,dummy,ierr)
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
itmax, &
|
itmax, &
|
||||||
itmin
|
itmin
|
||||||
|
@ -452,13 +629,13 @@ subroutine grid_mech_FEM_formResidual(da_local,x_local,f_local,dummy,ierr)
|
||||||
endif
|
endif
|
||||||
call DMDAVecRestoreArrayF90(da_local,f_local,f_scal,ierr);CHKERRQ(ierr)
|
call DMDAVecRestoreArrayF90(da_local,f_local,f_scal,ierr);CHKERRQ(ierr)
|
||||||
|
|
||||||
end subroutine grid_mech_FEM_formResidual
|
end subroutine formResidual
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief forms the FEM stiffness matrix
|
!> @brief forms the FEM stiffness matrix
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine grid_mech_FEM_formJacobian(da_local,x_local,Jac_pre,Jac,dummy,ierr)
|
subroutine formJacobian(da_local,x_local,Jac_pre,Jac,dummy,ierr)
|
||||||
use mesh, only: &
|
use mesh, only: &
|
||||||
mesh_ipCoordinates
|
mesh_ipCoordinates
|
||||||
use homogenization, only: &
|
use homogenization, only: &
|
||||||
|
@ -551,185 +728,6 @@ subroutine grid_mech_FEM_formJacobian(da_local,x_local,Jac_pre,Jac,dummy,ierr)
|
||||||
call MatSetNearNullSpace(Jac,matnull,ierr); CHKERRQ(ierr)
|
call MatSetNearNullSpace(Jac,matnull,ierr); CHKERRQ(ierr)
|
||||||
call MatNullSpaceDestroy(matnull,ierr); CHKERRQ(ierr)
|
call MatNullSpaceDestroy(matnull,ierr); CHKERRQ(ierr)
|
||||||
|
|
||||||
end subroutine grid_mech_FEM_formJacobian
|
end subroutine formJacobian
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief convergence check
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
subroutine grid_mech_FEM_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
|
|
||||||
use mesh
|
|
||||||
use spectral_utilities
|
|
||||||
use numerics, only: &
|
|
||||||
itmax, &
|
|
||||||
itmin, &
|
|
||||||
err_div_tolRel, &
|
|
||||||
err_div_tolAbs, &
|
|
||||||
err_stress_tolRel, &
|
|
||||||
err_stress_tolAbs
|
|
||||||
use FEsolving, only: &
|
|
||||||
terminallyIll
|
|
||||||
|
|
||||||
implicit none
|
|
||||||
SNES :: snes_local
|
|
||||||
PetscInt :: PETScIter
|
|
||||||
PetscReal :: &
|
|
||||||
xnorm, & ! not used
|
|
||||||
snorm, & ! not used
|
|
||||||
fnorm
|
|
||||||
SNESConvergedReason :: reason
|
|
||||||
PetscObject :: dummy
|
|
||||||
PetscErrorCode :: ierr
|
|
||||||
real(pReal) :: &
|
|
||||||
err_div, &
|
|
||||||
divTol, &
|
|
||||||
BCTol
|
|
||||||
|
|
||||||
err_div = fnorm*sqrt(wgt)*geomSize(1)/scaledGeomSize(1)/detJ
|
|
||||||
divTol = max(maxval(abs(P_av))*err_div_tolRel ,err_div_tolAbs)
|
|
||||||
BCTol = max(maxval(abs(P_av))*err_stress_tolRel,err_stress_tolAbs)
|
|
||||||
|
|
||||||
write(6,*) BCTol,divTol
|
|
||||||
converged: if ((totalIter >= itmin -1 .and. &
|
|
||||||
all([ err_div/divTol, &
|
|
||||||
err_BC /BCTol ] < 1.0_pReal)) &
|
|
||||||
.or. terminallyIll) then
|
|
||||||
reason = 1
|
|
||||||
elseif (totalIter >= itmax) then converged
|
|
||||||
reason = -1
|
|
||||||
else converged
|
|
||||||
reason = 0
|
|
||||||
endif converged
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! report
|
|
||||||
write(6,'(1/,a)') ' ... reporting .............................................................'
|
|
||||||
write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
|
||||||
err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')'
|
|
||||||
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
|
|
||||||
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
|
||||||
write(6,'(/,a)') ' ==========================================================================='
|
|
||||||
flush(6)
|
|
||||||
|
|
||||||
end subroutine grid_mech_FEM_converged
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief forwarding routine
|
|
||||||
!> @details find new boundary conditions and best F estimate for end of current timestep
|
|
||||||
!> possibly writing restart information, triggering of state increment in DAMASK, and updating of IPcoordinates
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
subroutine grid_mech_FEM_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
|
|
||||||
use math, only: &
|
|
||||||
math_mul33x33 ,&
|
|
||||||
math_rotate_backward33
|
|
||||||
use numerics, only: &
|
|
||||||
worldrank
|
|
||||||
use homogenization, only: &
|
|
||||||
materialpoint_F0
|
|
||||||
use mesh, only: &
|
|
||||||
grid, &
|
|
||||||
grid3
|
|
||||||
use CPFEM2, only: &
|
|
||||||
CPFEM_age
|
|
||||||
use spectral_utilities, only: &
|
|
||||||
utilities_updateIPcoords, &
|
|
||||||
tBoundaryCondition, &
|
|
||||||
cutBack
|
|
||||||
use FEsolving, only: &
|
|
||||||
restartWrite
|
|
||||||
|
|
||||||
implicit none
|
|
||||||
logical, intent(in) :: &
|
|
||||||
guess
|
|
||||||
real(pReal), intent(in) :: &
|
|
||||||
timeinc_old, &
|
|
||||||
timeinc, &
|
|
||||||
loadCaseTime !< remaining time of current load case
|
|
||||||
type(tBoundaryCondition), intent(in) :: &
|
|
||||||
stress_BC, &
|
|
||||||
deformation_BC
|
|
||||||
real(pReal), dimension(3,3), intent(in) :: &
|
|
||||||
rotation_BC
|
|
||||||
PetscErrorCode :: ierr
|
|
||||||
character(len=32) :: rankStr
|
|
||||||
PetscScalar, pointer, dimension(:,:,:,:) :: &
|
|
||||||
u_current,u_lastincrement,u_rate
|
|
||||||
|
|
||||||
call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr)
|
|
||||||
call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastincrement,ierr); CHKERRQ(ierr)
|
|
||||||
|
|
||||||
if (cutBack) then
|
|
||||||
C_volAvg = C_volAvgLastInc ! QUESTION: where is this required?
|
|
||||||
else
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! restart information for spectral solver
|
|
||||||
!if (restartWrite) then
|
|
||||||
! write(6,'(/,a)') ' writing converged results for restart'
|
|
||||||
! flush(6)
|
|
||||||
|
|
||||||
! if (worldrank == 0_pInt) then
|
|
||||||
! call IO_write_jobRealFile(777,'C_volAvg',size(C_volAvg))
|
|
||||||
! write (777,rec=1) C_volAvg; close(777)
|
|
||||||
! call IO_write_jobRealFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
|
|
||||||
! write (777,rec=1) C_volAvgLastInc; close(777)
|
|
||||||
! call IO_write_jobRealFile(777,'F_aimDot',size(F_aimDot))
|
|
||||||
! write (777,rec=1) F_aimDot; close(777)
|
|
||||||
! endif
|
|
||||||
|
|
||||||
! write(rankStr,'(a1,i0)')'_',worldrank
|
|
||||||
! call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
|
|
||||||
! write (777,rec=1) F; close (777)
|
|
||||||
! call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file
|
|
||||||
! write (777,rec=1) F_lastInc; close (777)
|
|
||||||
! call IO_write_jobRealFile(777,'u_current'//trim(rankStr),size(u_current))
|
|
||||||
! write (777,rec=1) u_current; close (777)
|
|
||||||
! call IO_write_jobRealFile(777,'u_lastincrement'//trim(rankStr),size(u_lastincrement))
|
|
||||||
! write (777,rec=1) u_lastincrement; close (777)
|
|
||||||
!endif
|
|
||||||
call CPFEM_age() ! age state and kinematics
|
|
||||||
call utilities_updateIPcoords(F)
|
|
||||||
|
|
||||||
C_volAvgLastInc = C_volAvg
|
|
||||||
|
|
||||||
F_aimDot = merge(stress_BC%maskFloat*(F_aim-F_aim_lastInc)/timeinc_old, 0.0_pReal, guess)
|
|
||||||
F_aim_lastInc = F_aim
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! calculate rate for aim
|
|
||||||
if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F
|
|
||||||
F_aimDot = &
|
|
||||||
F_aimDot + deformation_BC%maskFloat * math_mul33x33(deformation_BC%values, F_aim_lastInc)
|
|
||||||
elseif(deformation_BC%myType=='fdot') then ! F_aimDot is prescribed
|
|
||||||
F_aimDot = &
|
|
||||||
F_aimDot + deformation_BC%maskFloat * deformation_BC%values
|
|
||||||
elseif (deformation_BC%myType=='f') then ! aim at end of load case is prescribed
|
|
||||||
F_aimDot = &
|
|
||||||
F_aimDot + deformation_BC%maskFloat * (deformation_BC%values - F_aim_lastInc)/loadCaseTime
|
|
||||||
endif
|
|
||||||
|
|
||||||
|
|
||||||
if (guess) then
|
|
||||||
call VecWAXPY(solution_rate,-1.0,solution_lastInc,solution_current,ierr)
|
|
||||||
CHKERRQ(ierr)
|
|
||||||
call VecScale(solution_rate,1.0/timeinc_old,ierr); CHKERRQ(ierr)
|
|
||||||
else
|
|
||||||
call VecSet(solution_rate,0.0,ierr); CHKERRQ(ierr)
|
|
||||||
endif
|
|
||||||
call VecCopy(solution_current,solution_lastInc,ierr); CHKERRQ(ierr)
|
|
||||||
F_lastInc = F ! winding F forward
|
|
||||||
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
|
||||||
endif
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! update average and local deformation gradients
|
|
||||||
F_aim = F_aim_lastInc + F_aimDot * timeinc
|
|
||||||
call VecAXPY(solution_current,timeinc,solution_rate,ierr); CHKERRQ(ierr)
|
|
||||||
|
|
||||||
call DMDAVecRestoreArrayF90(mech_grid,solution_current,u_current,ierr)
|
|
||||||
CHKERRQ(ierr)
|
|
||||||
call DMDAVecRestoreArrayF90(mech_grid,solution_lastInc,u_lastincrement,ierr)
|
|
||||||
CHKERRQ(ierr)
|
|
||||||
|
|
||||||
end subroutine grid_mech_FEM_forward
|
|
||||||
|
|
||||||
end module grid_mech_FEM
|
end module grid_mech_FEM
|
||||||
|
|
|
@ -20,9 +20,6 @@ module grid_mech_spectral_basic
|
||||||
implicit none
|
implicit none
|
||||||
private
|
private
|
||||||
|
|
||||||
character (len=*), parameter, public :: &
|
|
||||||
GRID_MECH_SPECTRAL_BASIC_LABEL = 'basic'
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! derived types
|
! derived types
|
||||||
type(tSolutionParams), private :: params
|
type(tSolutionParams), private :: params
|
||||||
|
@ -79,10 +76,6 @@ subroutine grid_mech_spectral_basic_init
|
||||||
IO_intOut, &
|
IO_intOut, &
|
||||||
IO_error, &
|
IO_error, &
|
||||||
IO_open_jobFile_binary
|
IO_open_jobFile_binary
|
||||||
use debug, only: &
|
|
||||||
debug_level, &
|
|
||||||
debug_spectral, &
|
|
||||||
debug_spectralRestart
|
|
||||||
use FEsolving, only: &
|
use FEsolving, only: &
|
||||||
restartInc
|
restartInc
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
|
@ -158,7 +151,7 @@ subroutine grid_mech_spectral_basic_init
|
||||||
call DMcreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
|
call DMcreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
|
||||||
call DMDASNESsetFunctionLocal(da,INSERT_VALUES,formResidual,PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
|
call DMDASNESsetFunctionLocal(da,INSERT_VALUES,formResidual,PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call SNESsetConvergenceTest(snes,grid_mech_spectral_basic_converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr)! specify custom convergence check function "_converged"
|
call SNESsetConvergenceTest(snes,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr)! specify custom convergence check function "_converged"
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call SNESsetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional CLI arguments
|
call SNESsetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional CLI arguments
|
||||||
|
|
||||||
|
@ -167,11 +160,7 @@ subroutine grid_mech_spectral_basic_init
|
||||||
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! places pointer on PETSc data
|
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! places pointer on PETSc data
|
||||||
|
|
||||||
restart: if (restartInc > 0) then
|
restart: if (restartInc > 0) then
|
||||||
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0) then
|
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') 'reading values of increment ', restartInc, ' from file'
|
||||||
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
|
|
||||||
'reading values of increment ', restartInc, ' from file'
|
|
||||||
flush(6)
|
|
||||||
endif
|
|
||||||
|
|
||||||
fileUnit = IO_open_jobFile_binary('F_aimDot')
|
fileUnit = IO_open_jobFile_binary('F_aimDot')
|
||||||
read(fileUnit) F_aimDot; close(fileUnit)
|
read(fileUnit) F_aimDot; close(fileUnit)
|
||||||
|
@ -203,10 +192,7 @@ subroutine grid_mech_spectral_basic_init
|
||||||
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! deassociate pointer
|
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! deassociate pointer
|
||||||
|
|
||||||
restartRead: if (restartInc > 0) then
|
restartRead: if (restartInc > 0) then
|
||||||
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0 .and. worldrank == 0) &
|
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') 'reading more values of increment ', restartInc, ' from file'
|
||||||
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
|
|
||||||
'reading more values of increment ', restartInc, ' from file'
|
|
||||||
flush(6)
|
|
||||||
fileUnit = IO_open_jobFile_binary('C_volAvg')
|
fileUnit = IO_open_jobFile_binary('C_volAvg')
|
||||||
read(fileUnit) C_volAvg; close(fileUnit)
|
read(fileUnit) C_volAvg; close(fileUnit)
|
||||||
fileUnit = IO_open_jobFile_binary('C_volAvgLastInv')
|
fileUnit = IO_open_jobFile_binary('C_volAvgLastInv')
|
||||||
|
@ -285,60 +271,6 @@ function grid_mech_spectral_basic_solution(incInfoIn,timeinc,timeinc_old,stress_
|
||||||
end function grid_mech_spectral_basic_solution
|
end function grid_mech_spectral_basic_solution
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief convergence check
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
subroutine grid_mech_spectral_basic_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
|
|
||||||
use numerics, only: &
|
|
||||||
itmax, &
|
|
||||||
itmin, &
|
|
||||||
err_div_tolRel, &
|
|
||||||
err_div_tolAbs, &
|
|
||||||
err_stress_tolRel, &
|
|
||||||
err_stress_tolAbs
|
|
||||||
use FEsolving, only: &
|
|
||||||
terminallyIll
|
|
||||||
|
|
||||||
implicit none
|
|
||||||
SNES :: snes_local
|
|
||||||
PetscInt :: PETScIter
|
|
||||||
PetscReal :: &
|
|
||||||
xnorm, & ! not used
|
|
||||||
snorm, & ! not used
|
|
||||||
fnorm ! not used
|
|
||||||
SNESConvergedReason :: reason
|
|
||||||
PetscObject :: dummy
|
|
||||||
PetscErrorCode :: ierr
|
|
||||||
real(pReal) :: &
|
|
||||||
divTol, &
|
|
||||||
BCTol
|
|
||||||
|
|
||||||
divTol = max(maxval(abs(P_av))*err_div_tolRel ,err_div_tolAbs)
|
|
||||||
BCTol = max(maxval(abs(P_av))*err_stress_tolRel,err_stress_tolAbs)
|
|
||||||
|
|
||||||
converged: if ((totalIter >= itmin .and. &
|
|
||||||
all([ err_div/divTol, &
|
|
||||||
err_BC /BCTol ] < 1.0_pReal)) &
|
|
||||||
.or. terminallyIll) then
|
|
||||||
reason = 1
|
|
||||||
elseif (totalIter >= itmax) then converged
|
|
||||||
reason = -1
|
|
||||||
else converged
|
|
||||||
reason = 0
|
|
||||||
endif converged
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! report
|
|
||||||
write(6,'(1/,a)') ' ... reporting .............................................................'
|
|
||||||
write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
|
||||||
err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')'
|
|
||||||
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
|
|
||||||
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
|
||||||
write(6,'(/,a)') ' ==========================================================================='
|
|
||||||
flush(6)
|
|
||||||
|
|
||||||
end subroutine grid_mech_spectral_basic_converged
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief forwarding routine
|
!> @brief forwarding routine
|
||||||
!> @details find new boundary conditions and best F estimate for end of current timestep
|
!> @details find new boundary conditions and best F estimate for end of current timestep
|
||||||
|
@ -454,6 +386,61 @@ subroutine grid_mech_spectral_basic_forward(guess,timeinc,timeinc_old,loadCaseTi
|
||||||
end subroutine grid_mech_spectral_basic_forward
|
end subroutine grid_mech_spectral_basic_forward
|
||||||
|
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief convergence check
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
subroutine converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
|
||||||
|
use numerics, only: &
|
||||||
|
itmax, &
|
||||||
|
itmin, &
|
||||||
|
err_div_tolRel, &
|
||||||
|
err_div_tolAbs, &
|
||||||
|
err_stress_tolRel, &
|
||||||
|
err_stress_tolAbs
|
||||||
|
use FEsolving, only: &
|
||||||
|
terminallyIll
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
SNES :: snes_local
|
||||||
|
PetscInt :: PETScIter
|
||||||
|
PetscReal :: &
|
||||||
|
xnorm, & ! not used
|
||||||
|
snorm, & ! not used
|
||||||
|
fnorm ! not used
|
||||||
|
SNESConvergedReason :: reason
|
||||||
|
PetscObject :: dummy
|
||||||
|
PetscErrorCode :: ierr
|
||||||
|
real(pReal) :: &
|
||||||
|
divTol, &
|
||||||
|
BCTol
|
||||||
|
|
||||||
|
divTol = max(maxval(abs(P_av))*err_div_tolRel ,err_div_tolAbs)
|
||||||
|
BCTol = max(maxval(abs(P_av))*err_stress_tolRel,err_stress_tolAbs)
|
||||||
|
|
||||||
|
if ((totalIter >= itmin .and. &
|
||||||
|
all([ err_div/divTol, &
|
||||||
|
err_BC /BCTol ] < 1.0_pReal)) &
|
||||||
|
.or. terminallyIll) then
|
||||||
|
reason = 1
|
||||||
|
elseif (totalIter >= itmax) then
|
||||||
|
reason = -1
|
||||||
|
else
|
||||||
|
reason = 0
|
||||||
|
endif
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! report
|
||||||
|
write(6,'(1/,a)') ' ... reporting .............................................................'
|
||||||
|
write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
||||||
|
err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')'
|
||||||
|
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
|
||||||
|
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
||||||
|
write(6,'(/,a)') ' ==========================================================================='
|
||||||
|
flush(6)
|
||||||
|
|
||||||
|
end subroutine converged
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief forms the basic residual vector
|
!> @brief forms the basic residual vector
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
Loading…
Reference in New Issue