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better (generic) name where possible

This commit is contained in:
Martin Diehl 2020-02-25 18:53:12 +01:00
parent 48604292e2
commit 839443bc85
3 changed files with 165 additions and 165 deletions
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114
src/grid/grid_mech_FEM.f90
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@ -21,10 +21,10 @@ module grid_mech_FEM
use discretization use discretization
use mesh_grid use mesh_grid
use debug use debug
implicit none implicit none
private private
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! derived types ! derived types
type(tSolutionParams), private :: params type(tSolutionParams), private :: params
@ -52,20 +52,20 @@ module grid_mech_FEM
F_aim_lastIter = math_I3, & F_aim_lastIter = math_I3, &
F_aim_lastInc = math_I3, & !< previous average deformation gradient F_aim_lastInc = math_I3, & !< previous average deformation gradient
P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress
character(len=pStringLen), private :: incInfo !< time and increment information character(len=pStringLen), private :: incInfo !< time and increment information
real(pReal), private, dimension(3,3,3,3) :: & real(pReal), private, dimension(3,3,3,3) :: &
C_volAvg = 0.0_pReal, & !< current volume average stiffness C_volAvg = 0.0_pReal, & !< current volume average stiffness
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
S = 0.0_pReal !< current compliance (filled up with zeros) S = 0.0_pReal !< current compliance (filled up with zeros)
real(pReal), private :: & real(pReal), private :: &
err_BC !< deviation from stress BC err_BC !< deviation from stress BC
integer, private :: & integer, private :: &
totalIter = 0 !< total iteration in current increment totalIter = 0 !< total iteration in current increment
public :: & public :: &
grid_mech_FEM_init, & grid_mech_FEM_init, &
grid_mech_FEM_solution, & grid_mech_FEM_solution, &
@ -79,7 +79,7 @@ contains
!> @brief allocates all necessary fields and fills them with data, potentially from restart info !> @brief allocates all necessary fields and fills them with data, potentially from restart info
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine grid_mech_FEM_init subroutine grid_mech_FEM_init
real(pReal) :: HGCoeff = 0.0e-2_pReal real(pReal) :: HGCoeff = 0.0e-2_pReal
PetscInt, dimension(0:worldsize-1) :: localK PetscInt, dimension(0:worldsize-1) :: localK
real(pReal), dimension(3,3) :: & real(pReal), dimension(3,3) :: &
@ -99,9 +99,9 @@ subroutine grid_mech_FEM_init
real(pReal), dimension(3,3,3,3) :: devNull real(pReal), dimension(3,3,3,3) :: devNull
PetscScalar, pointer, dimension(:,:,:,:) :: & PetscScalar, pointer, dimension(:,:,:,:) :: &
u_current,u_lastInc u_current,u_lastInc
write(6,'(/,a)') ' <<<+- grid_mech_FEM init -+>>>'; flush(6) write(6,'(/,a)') ' <<<+- grid_mech_FEM init -+>>>'; flush(6)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! set default and user defined options for PETSc ! set default and user defined options for PETSc
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,'-mech_snes_type newtonls -mech_ksp_type fgmres & call PETScOptionsInsertString(PETSC_NULL_OPTIONS,'-mech_snes_type newtonls -mech_ksp_type fgmres &
@ -115,11 +115,11 @@ subroutine grid_mech_FEM_init
allocate(F (3,3,grid(1),grid(2),grid3),source = 0.0_pReal) allocate(F (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
allocate(P_current (3,3,grid(1),grid(2),grid3),source = 0.0_pReal) allocate(P_current (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
allocate(F_lastInc (3,3,grid(1),grid(2),grid3),source = 0.0_pReal) allocate(F_lastInc (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! initialize solver specific parts of PETSc ! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,mech_snes,ierr); CHKERRQ(ierr) call SNESCreate(PETSC_COMM_WORLD,mech_snes,ierr); CHKERRQ(ierr)
call SNESSetOptionsPrefix(mech_snes,'mech_',ierr);CHKERRQ(ierr) call SNESSetOptionsPrefix(mech_snes,'mech_',ierr);CHKERRQ(ierr)
localK = 0 localK = 0
localK(worldrank) = grid3 localK(worldrank) = grid3
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
@ -141,12 +141,12 @@ subroutine grid_mech_FEM_init
call DMCreateGlobalVector(mech_grid,solution_lastInc,ierr); CHKERRQ(ierr) call DMCreateGlobalVector(mech_grid,solution_lastInc,ierr); CHKERRQ(ierr)
call DMCreateGlobalVector(mech_grid,solution_rate ,ierr); CHKERRQ(ierr) call DMCreateGlobalVector(mech_grid,solution_rate ,ierr); CHKERRQ(ierr)
call DMSNESSetFunctionLocal(mech_grid,formResidual,PETSC_NULL_SNES,ierr) call DMSNESSetFunctionLocal(mech_grid,formResidual,PETSC_NULL_SNES,ierr)
CHKERRQ(ierr) CHKERRQ(ierr)
call DMSNESSetJacobianLocal(mech_grid,formJacobian,PETSC_NULL_SNES,ierr) call DMSNESSetJacobianLocal(mech_grid,formJacobian,PETSC_NULL_SNES,ierr)
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESSetConvergenceTest(mech_snes,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged" call SNESSetConvergenceTest(mech_snes,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESSetMaxLinearSolveFailures(mech_snes, huge(1), ierr); CHKERRQ(ierr) ! ignore linear solve failures call SNESSetMaxLinearSolveFailures(mech_snes, huge(1), ierr); CHKERRQ(ierr) ! ignore linear solve failures
call SNESSetFromOptions(mech_snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments call SNESSetFromOptions(mech_snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -156,15 +156,15 @@ subroutine grid_mech_FEM_init
call VecSet(solution_rate ,0.0_pReal,ierr);CHKERRQ(ierr) call VecSet(solution_rate ,0.0_pReal,ierr);CHKERRQ(ierr)
call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr) call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr)
call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr) call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr)
call DMDAGetCorners(mech_grid,xstart,ystart,zstart,xend,yend,zend,ierr) ! local grid extent call DMDAGetCorners(mech_grid,xstart,ystart,zstart,xend,yend,zend,ierr) ! local grid extent
CHKERRQ(ierr) CHKERRQ(ierr)
xend = xstart+xend-1 xend = xstart+xend-1
yend = ystart+yend-1 yend = ystart+yend-1
zend = zstart+zend-1 zend = zstart+zend-1
delta = geomSize/real(grid,pReal) ! grid spacing delta = geomSize/real(grid,pReal) ! grid spacing
detJ = product(delta) ! cell volume detJ = product(delta) ! cell volume
BMat = reshape(real([-1.0_pReal/delta(1),-1.0_pReal/delta(2),-1.0_pReal/delta(3), & BMat = reshape(real([-1.0_pReal/delta(1),-1.0_pReal/delta(2),-1.0_pReal/delta(3), &
1.0_pReal/delta(1),-1.0_pReal/delta(2),-1.0_pReal/delta(3), & 1.0_pReal/delta(1),-1.0_pReal/delta(2),-1.0_pReal/delta(3), &
-1.0_pReal/delta(1), 1.0_pReal/delta(2),-1.0_pReal/delta(3), & -1.0_pReal/delta(1), 1.0_pReal/delta(2),-1.0_pReal/delta(3), &
@ -173,7 +173,7 @@ subroutine grid_mech_FEM_init
1.0_pReal/delta(1),-1.0_pReal/delta(2), 1.0_pReal/delta(3), & 1.0_pReal/delta(1),-1.0_pReal/delta(2), 1.0_pReal/delta(3), &
-1.0_pReal/delta(1), 1.0_pReal/delta(2), 1.0_pReal/delta(3), & -1.0_pReal/delta(1), 1.0_pReal/delta(2), 1.0_pReal/delta(3), &
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 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
HGMat = matmul(transpose(HGcomp),HGcomp) & HGMat = matmul(transpose(HGcomp),HGcomp) &
* HGCoeff*(delta(1)*delta(2) + delta(2)*delta(3) + delta(3)*delta(1))/16.0_pReal ! hourglass stabilization matrix * HGCoeff*(delta(1)*delta(2) + delta(2)*delta(3) + delta(3)*delta(1))/16.0_pReal ! hourglass stabilization matrix
@ -181,11 +181,11 @@ subroutine grid_mech_FEM_init
! init fields ! init fields
restartRead: if (interface_restartInc > 0) then restartRead: if (interface_restartInc > 0) then
write(6,'(/,a,i0,a)') ' reading restart data of increment ', interface_restartInc, ' from file' write(6,'(/,a,i0,a)') ' reading restart data of increment ', interface_restartInc, ' from file'
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5' write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName) fileHandle = HDF5_openFile(fileName)
groupHandle = HDF5_openGroup(fileHandle,'solver') groupHandle = HDF5_openGroup(fileHandle,'solver')
call HDF5_read(groupHandle,F_aim, 'F_aim') call HDF5_read(groupHandle,F_aim, 'F_aim')
call HDF5_read(groupHandle,F_aim_lastInc,'F_aim_lastInc') call HDF5_read(groupHandle,F_aim_lastInc,'F_aim_lastInc')
call HDF5_read(groupHandle,F_aimDot, 'F_aimDot') call HDF5_read(groupHandle,F_aimDot, 'F_aimDot')
@ -193,7 +193,7 @@ subroutine grid_mech_FEM_init
call HDF5_read(groupHandle,F_lastInc, 'F_lastInc') call HDF5_read(groupHandle,F_lastInc, 'F_lastInc')
call HDF5_read(groupHandle,u_current, 'u') call HDF5_read(groupHandle,u_current, 'u')
call HDF5_read(groupHandle,u_lastInc, 'u_lastInc') call HDF5_read(groupHandle,u_lastInc, 'u_lastInc')
elseif (interface_restartInc == 0) then restartRead elseif (interface_restartInc == 0) then restartRead
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
F = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) F = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3)
@ -207,12 +207,12 @@ subroutine grid_mech_FEM_init
CHKERRQ(ierr) CHKERRQ(ierr)
call DMDAVecRestoreArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr) call DMDAVecRestoreArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr)
CHKERRQ(ierr) CHKERRQ(ierr)
restartRead2: if (interface_restartInc > 0) then restartRead2: if (interface_restartInc > 0) then
write(6,'(/,a,i0,a)') ' reading more restart data of increment ', interface_restartInc, ' from file' write(6,'(/,a,i0,a)') ' reading more restart data of increment ', interface_restartInc, ' from file'
call HDF5_read(groupHandle,C_volAvg, 'C_volAvg') call HDF5_read(groupHandle,C_volAvg, 'C_volAvg')
call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc') call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc')
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
call HDF5_closeFile(fileHandle) call HDF5_closeFile(fileHandle)
@ -243,14 +243,14 @@ function grid_mech_FEM_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation
! PETSc Data ! PETSc Data
PetscErrorCode :: ierr PetscErrorCode :: ierr
SNESConvergedReason :: reason SNESConvergedReason :: reason
incInfo = incInfoIn incInfo = incInfoIn
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! update stiffness (and gamma operator) ! update stiffness (and gamma operator)
S = utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg) S = utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! set module wide available data ! set module wide available data
params%stress_mask = stress_BC%maskFloat params%stress_mask = stress_BC%maskFloat
params%stress_BC = stress_BC%values params%stress_BC = stress_BC%values
params%rotation_BC = rotation_BC params%rotation_BC = rotation_BC
@ -258,13 +258,13 @@ function grid_mech_FEM_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation
params%timeincOld = timeinc_old params%timeincOld = timeinc_old
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! solve BVP ! solve BVP
call SNESsolve(mech_snes,PETSC_NULL_VEC,solution_current,ierr);CHKERRQ(ierr) call SNESsolve(mech_snes,PETSC_NULL_VEC,solution_current,ierr);CHKERRQ(ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! check convergence ! check convergence
call SNESGetConvergedReason(mech_snes,reason,ierr);CHKERRQ(ierr) call SNESGetConvergedReason(mech_snes,reason,ierr);CHKERRQ(ierr)
solution%converged = reason > 0 solution%converged = reason > 0
solution%iterationsNeeded = totalIter solution%iterationsNeeded = totalIter
solution%termIll = terminallyIll solution%termIll = terminallyIll
@ -296,15 +296,15 @@ subroutine grid_mech_FEM_forward(cutBack,guess,timeinc,timeinc_old,loadCaseTime,
PetscErrorCode :: ierr PetscErrorCode :: ierr
PetscScalar, pointer, dimension(:,:,:,:) :: & PetscScalar, pointer, dimension(:,:,:,:) :: &
u_current,u_lastInc u_current,u_lastInc
call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr) call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr)
call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr) call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr)
if (cutBack) then if (cutBack) then
C_volAvg = C_volAvgLastInc C_volAvg = C_volAvgLastInc
else else
C_volAvgLastInc = C_volAvg C_volAvgLastInc = C_volAvg
F_aimDot = merge(stress_BC%maskFloat*(F_aim-F_aim_lastInc)/timeinc_old, 0.0_pReal, guess) F_aimDot = merge(stress_BC%maskFloat*(F_aim-F_aim_lastInc)/timeinc_old, 0.0_pReal, guess)
F_aim_lastInc = F_aim F_aim_lastInc = F_aim
@ -329,10 +329,10 @@ subroutine grid_mech_FEM_forward(cutBack,guess,timeinc,timeinc_old,loadCaseTime,
call VecSet(solution_rate,0.0_pReal,ierr); CHKERRQ(ierr) call VecSet(solution_rate,0.0_pReal,ierr); CHKERRQ(ierr)
endif endif
call VecCopy(solution_current,solution_lastInc,ierr); CHKERRQ(ierr) call VecCopy(solution_current,solution_lastInc,ierr); CHKERRQ(ierr)
F_lastInc = F F_lastInc = F
materialpoint_F0 = reshape(F, [3,3,1,product(grid(1:2))*grid3]) materialpoint_F0 = reshape(F, [3,3,1,product(grid(1:2))*grid3])
endif endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -365,12 +365,12 @@ subroutine grid_mech_FEM_restartWrite
integer(HID_T) :: fileHandle, groupHandle integer(HID_T) :: fileHandle, groupHandle
PetscScalar, dimension(:,:,:,:), pointer :: u_current,u_lastInc PetscScalar, dimension(:,:,:,:), pointer :: u_current,u_lastInc
character(len=pStringLen) :: fileName character(len=pStringLen) :: fileName
call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr) call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr)
call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr) call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr)
write(6,'(a)') ' writing solver data required for restart to file'; flush(6) write(6,'(a)') ' writing solver data required for restart to file'; flush(6)
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5' write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName,'w') fileHandle = HDF5_openFile(fileName,'w')
groupHandle = HDF5_addGroup(fileHandle,'solver') groupHandle = HDF5_addGroup(fileHandle,'solver')
@ -388,7 +388,7 @@ subroutine grid_mech_FEM_restartWrite
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
call HDF5_closeFile(fileHandle) call HDF5_closeFile(fileHandle)
call DMDAVecRestoreArrayF90(mech_grid,solution_current,u_current,ierr);CHKERRQ(ierr) call DMDAVecRestoreArrayF90(mech_grid,solution_current,u_current,ierr);CHKERRQ(ierr)
call DMDAVecRestoreArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr);CHKERRQ(ierr) call DMDAVecRestoreArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr);CHKERRQ(ierr)
@ -405,7 +405,7 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,fnorm,reason,dummy,i
PetscReal, intent(in) :: & PetscReal, intent(in) :: &
devNull1, & devNull1, &
devNull2, & devNull2, &
fnorm fnorm
SNESConvergedReason :: reason SNESConvergedReason :: reason
PetscObject :: dummy PetscObject :: dummy
PetscErrorCode :: ierr PetscErrorCode :: ierr
@ -421,7 +421,7 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,fnorm,reason,dummy,i
if ((totalIter >= itmin .and. & if ((totalIter >= itmin .and. &
all([ err_div/divTol, & all([ err_div/divTol, &
err_BC /BCTol ] < 1.0_pReal)) & err_BC /BCTol ] < 1.0_pReal)) &
.or. terminallyIll) then .or. terminallyIll) then
reason = 1 reason = 1
elseif (totalIter >= itmax) then elseif (totalIter >= itmax) then
reason = -1 reason = -1
@ -435,10 +435,10 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,fnorm,reason,dummy,i
write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', & write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')' err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')'
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', & write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')' err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
write(6,'(/,a)') ' ===========================================================================' write(6,'(/,a)') ' ==========================================================================='
flush(6) flush(6)
end subroutine converged end subroutine converged
@ -475,7 +475,7 @@ subroutine formResidual(da_local,x_local, &
write(6,'(1x,a,3(a,i0))') trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter+1, '≤', itmax write(6,'(1x,a,3(a,i0))') trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter+1, '≤', itmax
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) & if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') & write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotTensor2(F_aim,active=.true.)) ' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') & write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim =', transpose(F_aim) ' deformation gradient aim =', transpose(F_aim)
flush(6) flush(6)
@ -491,7 +491,7 @@ subroutine formResidual(da_local,x_local, &
x_elem(ctr,1:3) = x_scal(0:2,i+ii,j+jj,k+kk) x_elem(ctr,1:3) = x_scal(0:2,i+ii,j+jj,k+kk)
enddo; enddo; enddo enddo; enddo; enddo
ii = i-xstart+1; jj = j-ystart+1; kk = k-zstart+1 ii = i-xstart+1; jj = j-ystart+1; kk = k-zstart+1
F(1:3,1:3,ii,jj,kk) = params%rotation_BC%rotTensor2(F_aim,active=.true.) + transpose(matmul(BMat,x_elem)) F(1:3,1:3,ii,jj,kk) = params%rotation_BC%rotate(F_aim,active=.true.) + transpose(matmul(BMat,x_elem))
enddo; enddo; enddo enddo; enddo; enddo
call DMDAVecRestoreArrayF90(da_local,x_local,x_scal,ierr);CHKERRQ(ierr) call DMDAVecRestoreArrayF90(da_local,x_local,x_scal,ierr);CHKERRQ(ierr)
@ -501,7 +501,7 @@ subroutine formResidual(da_local,x_local, &
P_av,C_volAvg,devNull, & P_av,C_volAvg,devNull, &
F,params%timeinc,params%rotation_BC) F,params%timeinc,params%rotation_BC)
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! stress BC handling ! stress BC handling
F_aim_lastIter = F_aim F_aim_lastIter = F_aim
@ -535,24 +535,24 @@ subroutine formResidual(da_local,x_local, &
enddo; enddo; enddo enddo; enddo; enddo
call DMDAVecRestoreArrayF90(da_local,x_local,x_scal,ierr);CHKERRQ(ierr) call DMDAVecRestoreArrayF90(da_local,x_local,x_scal,ierr);CHKERRQ(ierr)
call DMDAVecRestoreArrayF90(da_local,f_local,f_scal,ierr);CHKERRQ(ierr) call DMDAVecRestoreArrayF90(da_local,f_local,f_scal,ierr);CHKERRQ(ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! applying boundary conditions ! applying boundary conditions
call DMDAVecGetArrayF90(da_local,f_local,f_scal,ierr);CHKERRQ(ierr) call DMDAVecGetArrayF90(da_local,f_local,f_scal,ierr);CHKERRQ(ierr)
if (zstart == 0) then if (zstart == 0) then
f_scal(0:2,xstart,ystart,zstart) = 0.0 f_scal(0:2,xstart,ystart,zstart) = 0.0
f_scal(0:2,xend+1,ystart,zstart) = 0.0 f_scal(0:2,xend+1,ystart,zstart) = 0.0
f_scal(0:2,xstart,yend+1,zstart) = 0.0 f_scal(0:2,xstart,yend+1,zstart) = 0.0
f_scal(0:2,xend+1,yend+1,zstart) = 0.0 f_scal(0:2,xend+1,yend+1,zstart) = 0.0
endif endif
if (zend + 1 == grid(3)) then if (zend + 1 == grid(3)) then
f_scal(0:2,xstart,ystart,zend+1) = 0.0 f_scal(0:2,xstart,ystart,zend+1) = 0.0
f_scal(0:2,xend+1,ystart,zend+1) = 0.0 f_scal(0:2,xend+1,ystart,zend+1) = 0.0
f_scal(0:2,xstart,yend+1,zend+1) = 0.0 f_scal(0:2,xstart,yend+1,zend+1) = 0.0
f_scal(0:2,xend+1,yend+1,zend+1) = 0.0 f_scal(0:2,xend+1,yend+1,zend+1) = 0.0
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 formResidual end subroutine formResidual
@ -574,7 +574,7 @@ subroutine formJacobian(da_local,x_local,Jac_pre,Jac,dummy,ierr)
PetscObject :: dummy PetscObject :: dummy
MatNullSpace :: matnull MatNullSpace :: matnull
PetscErrorCode :: ierr PetscErrorCode :: ierr
BMatFull = 0.0 BMatFull = 0.0
BMatFull(1:3,1 :8 ) = BMat BMatFull(1:3,1 :8 ) = BMat
BMatFull(4:6,9 :16) = BMat BMatFull(4:6,9 :16) = BMat
@ -623,7 +623,7 @@ subroutine formJacobian(da_local,x_local,Jac_pre,Jac,dummy,ierr)
call MatAssemblyEnd(Jac,MAT_FINAL_ASSEMBLY,ierr); CHKERRQ(ierr) call MatAssemblyEnd(Jac,MAT_FINAL_ASSEMBLY,ierr); CHKERRQ(ierr)
call MatAssemblyBegin(Jac_pre,MAT_FINAL_ASSEMBLY,ierr); CHKERRQ(ierr) call MatAssemblyBegin(Jac_pre,MAT_FINAL_ASSEMBLY,ierr); CHKERRQ(ierr)
call MatAssemblyEnd(Jac_pre,MAT_FINAL_ASSEMBLY,ierr); CHKERRQ(ierr) call MatAssemblyEnd(Jac_pre,MAT_FINAL_ASSEMBLY,ierr); CHKERRQ(ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! applying boundary conditions ! applying boundary conditions
diag = (C_volAvg(1,1,1,1)/delta(1)**2.0_pReal + & diag = (C_volAvg(1,1,1,1)/delta(1)**2.0_pReal + &

94
src/grid/grid_mech_spectral_basic.f90
View File

@ -28,11 +28,11 @@ module grid_mech_spectral_basic
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! derived types ! derived types
type(tSolutionParams), private :: params type(tSolutionParams), private :: params
type, private :: tNumerics type, private :: tNumerics
logical :: update_gamma !< update gamma operator with current stiffness logical :: update_gamma !< update gamma operator with current stiffness
end type tNumerics end type tNumerics
type(tNumerics) :: num ! numerics parameters. Better name? type(tNumerics) :: num ! numerics parameters. Better name?
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -55,21 +55,21 @@ module grid_mech_spectral_basic
F_aim_lastInc = math_I3, & !< previous average deformation gradient F_aim_lastInc = math_I3, & !< previous average deformation gradient
P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress
character(len=pStringLen), private :: incInfo !< time and increment information character(len=pStringLen), private :: incInfo !< time and increment information
real(pReal), private, dimension(3,3,3,3) :: & real(pReal), private, dimension(3,3,3,3) :: &
C_volAvg = 0.0_pReal, & !< current volume average stiffness C_volAvg = 0.0_pReal, & !< current volume average stiffness
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness
S = 0.0_pReal !< current compliance (filled up with zeros) S = 0.0_pReal !< current compliance (filled up with zeros)
real(pReal), private :: & real(pReal), private :: &
err_BC, & !< deviation from stress BC err_BC, & !< deviation from stress BC
err_div !< RMS of div of P err_div !< RMS of div of P
integer, private :: & integer, private :: &
totalIter = 0 !< total iteration in current increment totalIter = 0 !< total iteration in current increment
public :: & public :: &
grid_mech_spectral_basic_init, & grid_mech_spectral_basic_init, &
grid_mech_spectral_basic_solution, & grid_mech_spectral_basic_solution, &
@ -83,27 +83,27 @@ contains
!> @brief allocates all necessary fields and fills them with data, potentially from restart info !> @brief allocates all necessary fields and fills them with data, potentially from restart info
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine grid_mech_spectral_basic_init subroutine grid_mech_spectral_basic_init
real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: P real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: P
real(pReal), dimension(3,3) :: & real(pReal), dimension(3,3) :: &
temp33_Real = 0.0_pReal temp33_Real = 0.0_pReal
PetscErrorCode :: ierr PetscErrorCode :: ierr
PetscScalar, pointer, dimension(:,:,:,:) :: & PetscScalar, pointer, dimension(:,:,:,:) :: &
F ! pointer to solution data F ! pointer to solution data
PetscInt, dimension(worldsize) :: localK PetscInt, dimension(worldsize) :: localK
integer(HID_T) :: fileHandle, groupHandle integer(HID_T) :: fileHandle, groupHandle
integer :: fileUnit integer :: fileUnit
character(len=pStringLen) :: fileName character(len=pStringLen) :: fileName
write(6,'(/,a)') ' <<<+- grid_mech_spectral_basic init -+>>>'; flush(6) write(6,'(/,a)') ' <<<+- grid_mech_spectral_basic init -+>>>'; flush(6)
write(6,'(/,a)') ' Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013' write(6,'(/,a)') ' Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2012.09.012' write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2012.09.012'
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015' write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006' write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
num%update_gamma = config_numerics%getInt('update_gamma',defaultVal=0) > 0 num%update_gamma = config_numerics%getInt('update_gamma',defaultVal=0) > 0
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -117,11 +117,11 @@ subroutine grid_mech_spectral_basic_init
! allocate global fields ! allocate global fields
allocate (F_lastInc(3,3,grid(1),grid(2),grid3),source = 0.0_pReal) allocate (F_lastInc(3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
allocate (Fdot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal) allocate (Fdot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! initialize solver specific parts of PETSc ! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr) call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr) call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
localK = 0 localK = 0
localK(worldrank+1) = grid3 localK(worldrank+1) = grid3
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
@ -139,45 +139,45 @@ subroutine grid_mech_spectral_basic_init
call DMsetUp(da,ierr); CHKERRQ(ierr) call DMsetUp(da,ierr); CHKERRQ(ierr)
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,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
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! init fields ! init fields
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
restartRead: if (interface_restartInc > 0) then restartRead: if (interface_restartInc > 0) then
write(6,'(/,a,i0,a)') ' reading restart data of increment ', interface_restartInc, ' from file' write(6,'(/,a,i0,a)') ' reading restart data of increment ', interface_restartInc, ' from file'
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5' write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName) fileHandle = HDF5_openFile(fileName)
groupHandle = HDF5_openGroup(fileHandle,'solver') groupHandle = HDF5_openGroup(fileHandle,'solver')
call HDF5_read(groupHandle,F_aim, 'F_aim') call HDF5_read(groupHandle,F_aim, 'F_aim')
call HDF5_read(groupHandle,F_aim_lastInc,'F_aim_lastInc') call HDF5_read(groupHandle,F_aim_lastInc,'F_aim_lastInc')
call HDF5_read(groupHandle,F_aimDot, 'F_aimDot') call HDF5_read(groupHandle,F_aimDot, 'F_aimDot')
call HDF5_read(groupHandle,F, 'F') call HDF5_read(groupHandle,F, 'F')
call HDF5_read(groupHandle,F_lastInc, 'F_lastInc') call HDF5_read(groupHandle,F_lastInc, 'F_lastInc')
elseif (interface_restartInc == 0) then restartRead elseif (interface_restartInc == 0) then restartRead
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3]) F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
endif restartRead endif restartRead
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
call Utilities_updateCoords(reshape(F,shape(F_lastInc))) call Utilities_updateCoords(reshape(F,shape(F_lastInc)))
call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2 call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
reshape(F,shape(F_lastInc)), & ! target F reshape(F,shape(F_lastInc)), & ! target F
0.0_pReal) ! time increment 0.0_pReal) ! time increment
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! deassociate pointer call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! deassociate pointer
restartRead2: if (interface_restartInc > 0) then restartRead2: if (interface_restartInc > 0) then
write(6,'(/,a,i0,a)') ' reading more restart data of increment ', interface_restartInc, ' from file' write(6,'(/,a,i0,a)') ' reading more restart data of increment ', interface_restartInc, ' from file'
call HDF5_read(groupHandle,C_volAvg, 'C_volAvg') call HDF5_read(groupHandle,C_volAvg, 'C_volAvg')
call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc') call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc')
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
call HDF5_closeFile(fileHandle) call HDF5_closeFile(fileHandle)
@ -197,7 +197,7 @@ end subroutine grid_mech_spectral_basic_init
!> @brief solution for the basic scheme with internal iterations !> @brief solution for the basic scheme with internal iterations
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function grid_mech_spectral_basic_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC) result(solution) function grid_mech_spectral_basic_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC) result(solution)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! input data for solution ! input data for solution
character(len=*), intent(in) :: & character(len=*), intent(in) :: &
@ -215,7 +215,7 @@ function grid_mech_spectral_basic_solution(incInfoIn,timeinc,timeinc_old,stress_
! PETSc Data ! PETSc Data
PetscErrorCode :: ierr PetscErrorCode :: ierr
SNESConvergedReason :: reason SNESConvergedReason :: reason
incInfo = incInfoIn incInfo = incInfoIn
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -224,7 +224,7 @@ function grid_mech_spectral_basic_solution(incInfoIn,timeinc,timeinc_old,stress_
if(num%update_gamma) call utilities_updateGamma(C_minMaxAvg) if(num%update_gamma) call utilities_updateGamma(C_minMaxAvg)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! set module wide available data ! set module wide available data
params%stress_mask = stress_BC%maskFloat params%stress_mask = stress_BC%maskFloat
params%stress_BC = stress_BC%values params%stress_BC = stress_BC%values
params%rotation_BC = rotation_BC params%rotation_BC = rotation_BC
@ -232,13 +232,13 @@ function grid_mech_spectral_basic_solution(incInfoIn,timeinc,timeinc_old,stress_
params%timeincOld = timeinc_old params%timeincOld = timeinc_old
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! solve BVP ! solve BVP
call SNESsolve(snes,PETSC_NULL_VEC,solution_vec,ierr); CHKERRQ(ierr) call SNESsolve(snes,PETSC_NULL_VEC,solution_vec,ierr); CHKERRQ(ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! check convergence ! check convergence
call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr) call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
solution%converged = reason > 0 solution%converged = reason > 0
solution%iterationsNeeded = totalIter solution%iterationsNeeded = totalIter
solution%termIll = terminallyIll solution%termIll = terminallyIll
@ -271,14 +271,14 @@ subroutine grid_mech_spectral_basic_forward(cutBack,guess,timeinc,timeinc_old,lo
PetscScalar, dimension(:,:,:,:), pointer :: F PetscScalar, dimension(:,:,:,:), pointer :: F
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
if (cutBack) then if (cutBack) then
C_volAvg = C_volAvgLastInc C_volAvg = C_volAvgLastInc
C_minMaxAvg = C_minMaxAvgLastInc C_minMaxAvg = C_minMaxAvgLastInc
else else
C_volAvgLastInc = C_volAvg C_volAvgLastInc = C_volAvg
C_minMaxAvgLastInc = C_minMaxAvg C_minMaxAvgLastInc = C_minMaxAvg
F_aimDot = merge(stress_BC%maskFloat*(F_aim-F_aim_lastInc)/timeinc_old, 0.0_pReal, guess) F_aimDot = merge(stress_BC%maskFloat*(F_aim-F_aim_lastInc)/timeinc_old, 0.0_pReal, guess)
F_aim_lastInc = F_aim F_aim_lastInc = F_aim
@ -297,9 +297,9 @@ subroutine grid_mech_spectral_basic_forward(cutBack,guess,timeinc,timeinc_old,lo
Fdot = utilities_calculateRate(guess, & Fdot = utilities_calculateRate(guess, &
F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),timeinc_old, & F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),timeinc_old, &
rotation_BC%rotTensor2(F_aimDot,active=.true.)) rotation_BC%rotate(F_aimDot,active=.true.))
F_lastInc = reshape(F,[3,3,grid(1),grid(2),grid3]) F_lastInc = reshape(F,[3,3,grid(1),grid(2),grid3])
materialpoint_F0 = reshape(F, [3,3,1,product(grid(1:2))*grid3]) materialpoint_F0 = reshape(F, [3,3,1,product(grid(1:2))*grid3])
endif endif
@ -307,9 +307,9 @@ subroutine grid_mech_spectral_basic_forward(cutBack,guess,timeinc,timeinc_old,lo
! update average and local deformation gradients ! update average and local deformation gradients
F_aim = F_aim_lastInc + F_aimDot * timeinc F_aim = F_aim_lastInc + F_aimDot * timeinc
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average
rotation_BC%rotTensor2(F_aim,active=.true.)),[9,grid(1),grid(2),grid3]) rotation_BC%rotate(F_aim,active=.true.)),[9,grid(1),grid(2),grid3])
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
end subroutine grid_mech_spectral_basic_forward end subroutine grid_mech_spectral_basic_forward
@ -341,11 +341,11 @@ subroutine grid_mech_spectral_basic_restartWrite
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
write(6,'(a)') ' writing solver data required for restart to file'; flush(6) write(6,'(a)') ' writing solver data required for restart to file'; flush(6)
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5' write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName,'w') fileHandle = HDF5_openFile(fileName,'w')
groupHandle = HDF5_addGroup(fileHandle,'solver') groupHandle = HDF5_addGroup(fileHandle,'solver')
call HDF5_write(groupHandle,F_aim, 'F_aim') call HDF5_write(groupHandle,F_aim, 'F_aim')
call HDF5_write(groupHandle,F_aim_lastInc,'F_aim_lastInc') call HDF5_write(groupHandle,F_aim_lastInc,'F_aim_lastInc')
call HDF5_write(groupHandle,F_aimDot, 'F_aimDot') call HDF5_write(groupHandle,F_aimDot, 'F_aimDot')
@ -358,7 +358,7 @@ subroutine grid_mech_spectral_basic_restartWrite
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
call HDF5_closeFile(fileHandle) call HDF5_closeFile(fileHandle)
if (num%update_gamma) call utilities_saveReferenceStiffness if (num%update_gamma) call utilities_saveReferenceStiffness
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
@ -376,7 +376,7 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
PetscReal, intent(in) :: & PetscReal, intent(in) :: &
devNull1, & devNull1, &
devNull2, & devNull2, &
devNull3 devNull3
SNESConvergedReason :: reason SNESConvergedReason :: reason
PetscObject :: dummy PetscObject :: dummy
PetscErrorCode :: ierr PetscErrorCode :: ierr
@ -390,7 +390,7 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
if ((totalIter >= itmin .and. & if ((totalIter >= itmin .and. &
all([ err_div/divTol, & all([ err_div/divTol, &
err_BC /BCTol ] < 1.0_pReal)) & err_BC /BCTol ] < 1.0_pReal)) &
.or. terminallyIll) then .or. terminallyIll) then
reason = 1 reason = 1
elseif (totalIter >= itmax) then elseif (totalIter >= itmax) then
reason = -1 reason = -1
@ -404,10 +404,10 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', & write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')' err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')'
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', & write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')' err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
write(6,'(/,a)') ' ===========================================================================' write(6,'(/,a)') ' ==========================================================================='
flush(6) flush(6)
end subroutine converged end subroutine converged
@ -441,7 +441,7 @@ subroutine formResidual(in, F, &
write(6,'(1x,a,3(a,i0))') trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax write(6,'(1x,a,3(a,i0))') trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) & if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') & write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotTensor2(F_aim,active=.true.)) ' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') & write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim =', transpose(F_aim) ' deformation gradient aim =', transpose(F_aim)
flush(6) flush(6)
@ -453,7 +453,7 @@ subroutine formResidual(in, F, &
P_av,C_volAvg,C_minMaxAvg, & P_av,C_volAvg,C_minMaxAvg, &
F,params%timeinc,params%rotation_BC) F,params%timeinc,params%rotation_BC)
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! stress BC handling ! stress BC handling
deltaF_aim = math_mul3333xx33(S, P_av - params%stress_BC) deltaF_aim = math_mul3333xx33(S, P_av - params%stress_BC)
@ -466,9 +466,9 @@ subroutine formResidual(in, F, &
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residuum ! store fPK field for subsequent FFT forward transform tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residuum ! store fPK field for subsequent FFT forward transform
call utilities_FFTtensorForward ! FFT forward of global "tensorField_real" call utilities_FFTtensorForward ! FFT forward of global "tensorField_real"
err_div = Utilities_divergenceRMS() ! divRMS of tensorField_fourier for later use err_div = Utilities_divergenceRMS() ! divRMS of tensorField_fourier for later use
call utilities_fourierGammaConvolution(params%rotation_BC%rotTensor2(deltaF_aim,active=.true.)) ! convolution of Gamma and tensorField_fourier call utilities_fourierGammaConvolution(params%rotation_BC%rotate(deltaF_aim,active=.true.)) ! convolution of Gamma and tensorField_fourier
call utilities_FFTtensorBackward ! FFT backward of global tensorField_fourier call utilities_FFTtensorBackward ! FFT backward of global tensorField_fourier
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! constructing residual ! constructing residual
residuum = tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) ! Gamma*P gives correction towards div(P) = 0, so needs to be zero, too residuum = tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) ! Gamma*P gives correction towards div(P) = 0, so needs to be zero, too

122
src/grid/grid_mech_spectral_polarisation.f90
View File

@ -22,20 +22,20 @@ module grid_mech_spectral_polarisation
use homogenization use homogenization
use mesh_grid use mesh_grid
use debug use debug
implicit none implicit none
private private
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! derived types ! derived types
type(tSolutionParams), private :: params type(tSolutionParams), private :: params
type, private :: tNumerics type, private :: tNumerics
logical :: update_gamma !< update gamma operator with current stiffness logical :: update_gamma !< update gamma operator with current stiffness
end type tNumerics end type tNumerics
type(tNumerics) :: num ! numerics parameters. Better name? type(tNumerics) :: num ! numerics parameters. Better name?
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! PETSc data ! PETSc data
DM, private :: da DM, private :: da
@ -46,7 +46,7 @@ module grid_mech_spectral_polarisation
! common pointwise data ! common pointwise data
real(pReal), private, dimension(:,:,:,:,:), allocatable :: & real(pReal), private, dimension(:,:,:,:,:), allocatable :: &
F_lastInc, & !< field of previous compatible deformation gradients F_lastInc, & !< field of previous compatible deformation gradients
F_tau_lastInc, & !< field of previous incompatible deformation gradient F_tau_lastInc, & !< field of previous incompatible deformation gradient
Fdot, & !< field of assumed rate of compatible deformation gradient Fdot, & !< field of assumed rate of compatible deformation gradient
F_tauDot !< field of assumed rate of incopatible deformation gradient F_tauDot !< field of assumed rate of incopatible deformation gradient
@ -58,25 +58,25 @@ module grid_mech_spectral_polarisation
F_aim_lastInc = math_I3, & !< previous average deformation gradient F_aim_lastInc = math_I3, & !< previous average deformation gradient
F_av = 0.0_pReal, & !< average incompatible def grad field F_av = 0.0_pReal, & !< average incompatible def grad field
P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress
character(len=pStringLen), private :: incInfo !< time and increment information character(len=pStringLen), private :: incInfo !< time and increment information
real(pReal), private, dimension(3,3,3,3) :: & real(pReal), private, dimension(3,3,3,3) :: &
C_volAvg = 0.0_pReal, & !< current volume average stiffness C_volAvg = 0.0_pReal, & !< current volume average stiffness
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness
S = 0.0_pReal, & !< current compliance (filled up with zeros) S = 0.0_pReal, & !< current compliance (filled up with zeros)
C_scale = 0.0_pReal, & C_scale = 0.0_pReal, &
S_scale = 0.0_pReal S_scale = 0.0_pReal
real(pReal), private :: & real(pReal), private :: &
err_BC, & !< deviation from stress BC err_BC, & !< deviation from stress BC
err_curl, & !< RMS of curl of F err_curl, & !< RMS of curl of F
err_div !< RMS of div of P err_div !< RMS of div of P
integer, private :: & integer, private :: &
totalIter = 0 !< total iteration in current increment totalIter = 0 !< total iteration in current increment
public :: & public :: &
grid_mech_spectral_polarisation_init, & grid_mech_spectral_polarisation_init, &
grid_mech_spectral_polarisation_solution, & grid_mech_spectral_polarisation_solution, &
@ -90,26 +90,26 @@ contains
!> @brief allocates all necessary fields and fills them with data, potentially from restart info !> @brief allocates all necessary fields and fills them with data, potentially from restart info
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine grid_mech_spectral_polarisation_init subroutine grid_mech_spectral_polarisation_init
real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: P real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: P
real(pReal), dimension(3,3) :: & real(pReal), dimension(3,3) :: &
temp33_Real = 0.0_pReal temp33_Real = 0.0_pReal
PetscErrorCode :: ierr PetscErrorCode :: ierr
PetscScalar, pointer, dimension(:,:,:,:) :: & PetscScalar, pointer, dimension(:,:,:,:) :: &
FandF_tau, & ! overall pointer to solution data FandF_tau, & ! overall pointer to solution data
F, & ! specific (sub)pointer F, & ! specific (sub)pointer
F_tau ! specific (sub)pointer F_tau ! specific (sub)pointer
PetscInt, dimension(0:worldsize-1) :: localK PetscInt, dimension(0:worldsize-1) :: localK
integer(HID_T) :: fileHandle, groupHandle integer(HID_T) :: fileHandle, groupHandle
integer :: fileUnit integer :: fileUnit
character(len=pStringLen) :: fileName character(len=pStringLen) :: fileName
write(6,'(/,a)') ' <<<+- grid_mech_spectral_polarisation init -+>>>'; flush(6) write(6,'(/,a)') ' <<<+- grid_mech_spectral_polarisation init -+>>>'; flush(6)
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015' write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006' write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
num%update_gamma = config_numerics%getInt('update_gamma',defaultVal=0) > 0 num%update_gamma = config_numerics%getInt('update_gamma',defaultVal=0) > 0
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -125,11 +125,11 @@ subroutine grid_mech_spectral_polarisation_init
allocate(Fdot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal) allocate(Fdot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
allocate(F_tau_lastInc(3,3,grid(1),grid(2),grid3),source = 0.0_pReal) allocate(F_tau_lastInc(3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
allocate(F_tauDot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal) allocate(F_tauDot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! initialize solver specific parts of PETSc ! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr) call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr) call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
localK = 0 localK = 0
localK(worldrank) = grid3 localK(worldrank) = grid3
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
@ -147,24 +147,24 @@ subroutine grid_mech_spectral_polarisation_init
call DMsetUp(da,ierr); CHKERRQ(ierr) call DMsetUp(da,ierr); CHKERRQ(ierr)
call DMcreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 18, i.e. every def grad tensor) call DMcreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 18, 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,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
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! init fields ! init fields
call DMDAVecGetArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! places pointer on PETSc data call DMDAVecGetArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! places pointer on PETSc data
F => FandF_tau(0: 8,:,:,:) F => FandF_tau(0: 8,:,:,:)
F_tau => FandF_tau(9:17,:,:,:) F_tau => FandF_tau(9:17,:,:,:)
restartRead: if (interface_restartInc > 0) then restartRead: if (interface_restartInc > 0) then
write(6,'(/,a,i0,a)') ' reading restart data of increment ', interface_restartInc, ' from file' write(6,'(/,a,i0,a)') ' reading restart data of increment ', interface_restartInc, ' from file'
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5' write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName) fileHandle = HDF5_openFile(fileName)
groupHandle = HDF5_openGroup(fileHandle,'solver') groupHandle = HDF5_openGroup(fileHandle,'solver')
call HDF5_read(groupHandle,F_aim, 'F_aim') call HDF5_read(groupHandle,F_aim, 'F_aim')
call HDF5_read(groupHandle,F_aim_lastInc,'F_aim_lastInc') call HDF5_read(groupHandle,F_aim_lastInc,'F_aim_lastInc')
call HDF5_read(groupHandle,F_aimDot, 'F_aimDot') call HDF5_read(groupHandle,F_aimDot, 'F_aimDot')
@ -172,21 +172,21 @@ subroutine grid_mech_spectral_polarisation_init
call HDF5_read(groupHandle,F_lastInc, 'F_lastInc') call HDF5_read(groupHandle,F_lastInc, 'F_lastInc')
call HDF5_read(groupHandle,F_tau, 'F_tau') call HDF5_read(groupHandle,F_tau, 'F_tau')
call HDF5_read(groupHandle,F_tau_lastInc,'F_tau_lastInc') call HDF5_read(groupHandle,F_tau_lastInc,'F_tau_lastInc')
elseif (interface_restartInc == 0) then restartRead elseif (interface_restartInc == 0) then restartRead
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3]) F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
F_tau = 2.0_pReal*F F_tau = 2.0_pReal*F
F_tau_lastInc = 2.0_pReal*F_lastInc F_tau_lastInc = 2.0_pReal*F_lastInc
endif restartRead endif restartRead
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
call Utilities_updateCoords(reshape(F,shape(F_lastInc))) call Utilities_updateCoords(reshape(F,shape(F_lastInc)))
call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2 call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
reshape(F,shape(F_lastInc)), & ! target F reshape(F,shape(F_lastInc)), & ! target F
0.0_pReal) ! time increment 0.0_pReal) ! time increment
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! deassociate pointer call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! deassociate pointer
restartRead2: if (interface_restartInc > 0) then restartRead2: if (interface_restartInc > 0) then
write(6,'(/,a,i0,a)') ' reading more restart data of increment ', interface_restartInc, ' from file' write(6,'(/,a,i0,a)') ' reading more restart data of increment ', interface_restartInc, ' from file'
call HDF5_read(groupHandle,C_volAvg, 'C_volAvg') call HDF5_read(groupHandle,C_volAvg, 'C_volAvg')
@ -200,12 +200,12 @@ subroutine grid_mech_spectral_polarisation_init
call MPI_File_read(fileUnit,C_minMaxAvg,81,MPI_DOUBLE,MPI_STATUS_IGNORE,ierr) call MPI_File_read(fileUnit,C_minMaxAvg,81,MPI_DOUBLE,MPI_STATUS_IGNORE,ierr)
call MPI_File_close(fileUnit,ierr) call MPI_File_close(fileUnit,ierr)
endif restartRead2 endif restartRead2
call utilities_updateGamma(C_minMaxAvg) call utilities_updateGamma(C_minMaxAvg)
call utilities_saveReferenceStiffness call utilities_saveReferenceStiffness
C_scale = C_minMaxAvg C_scale = C_minMaxAvg
S_scale = math_invSym3333(C_minMaxAvg) S_scale = math_invSym3333(C_minMaxAvg)
end subroutine grid_mech_spectral_polarisation_init end subroutine grid_mech_spectral_polarisation_init
@ -229,9 +229,9 @@ function grid_mech_spectral_polarisation_solution(incInfoIn,timeinc,timeinc_old,
solution solution
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! PETSc Data ! PETSc Data
PetscErrorCode :: ierr PetscErrorCode :: ierr
SNESConvergedReason :: reason SNESConvergedReason :: reason
incInfo = incInfoIn incInfo = incInfoIn
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -241,10 +241,10 @@ function grid_mech_spectral_polarisation_solution(incInfoIn,timeinc,timeinc_old,
call utilities_updateGamma(C_minMaxAvg) call utilities_updateGamma(C_minMaxAvg)
C_scale = C_minMaxAvg C_scale = C_minMaxAvg
S_scale = math_invSym3333(C_minMaxAvg) S_scale = math_invSym3333(C_minMaxAvg)
endif endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! set module wide available data ! set module wide available data
params%stress_mask = stress_BC%maskFloat params%stress_mask = stress_BC%maskFloat
params%stress_BC = stress_BC%values params%stress_BC = stress_BC%values
params%rotation_BC = rotation_BC params%rotation_BC = rotation_BC
@ -252,13 +252,13 @@ function grid_mech_spectral_polarisation_solution(incInfoIn,timeinc,timeinc_old,
params%timeincOld = timeinc_old params%timeincOld = timeinc_old
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! solve BVP ! solve BVP
call SNESsolve(snes,PETSC_NULL_VEC,solution_vec,ierr); CHKERRQ(ierr) call SNESsolve(snes,PETSC_NULL_VEC,solution_vec,ierr); CHKERRQ(ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! check convergence ! check convergence
call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr) call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
solution%converged = reason > 0 solution%converged = reason > 0
solution%iterationsNeeded = totalIter solution%iterationsNeeded = totalIter
solution%termIll = terminallyIll solution%termIll = terminallyIll
@ -299,7 +299,7 @@ subroutine grid_mech_spectral_polarisation_forward(cutBack,guess,timeinc,timeinc
if (cutBack) then if (cutBack) then
C_volAvg = C_volAvgLastInc C_volAvg = C_volAvgLastInc
C_minMaxAvg = C_minMaxAvgLastInc C_minMaxAvg = C_minMaxAvgLastInc
else else
C_volAvgLastInc = C_volAvg C_volAvgLastInc = C_volAvg
C_minMaxAvgLastInc = C_minMaxAvg C_minMaxAvgLastInc = C_minMaxAvg
@ -321,13 +321,13 @@ subroutine grid_mech_spectral_polarisation_forward(cutBack,guess,timeinc,timeinc
Fdot = utilities_calculateRate(guess, & Fdot = utilities_calculateRate(guess, &
F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),timeinc_old, & F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),timeinc_old, &
rotation_BC%rotTensor2(F_aimDot,active=.true.)) rotation_BC%rotate(F_aimDot,active=.true.))
F_tauDot = utilities_calculateRate(guess, & F_tauDot = utilities_calculateRate(guess, &
F_tau_lastInc,reshape(F_tau,[3,3,grid(1),grid(2),grid3]), timeinc_old, & F_tau_lastInc,reshape(F_tau,[3,3,grid(1),grid(2),grid3]), timeinc_old, &
rotation_BC%rotTensor2(F_aimDot,active=.true.)) rotation_BC%rotate(F_aimDot,active=.true.))
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3]) F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3])
F_tau_lastInc = reshape(F_tau,[3,3,grid(1),grid(2),grid3]) F_tau_lastInc = reshape(F_tau,[3,3,grid(1),grid(2),grid3])
materialpoint_F0 = reshape(F,[3,3,1,product(grid(1:2))*grid3]) materialpoint_F0 = reshape(F,[3,3,1,product(grid(1:2))*grid3])
endif endif
@ -335,7 +335,7 @@ subroutine grid_mech_spectral_polarisation_forward(cutBack,guess,timeinc,timeinc
! update average and local deformation gradients ! update average and local deformation gradients
F_aim = F_aim_lastInc + F_aimDot * timeinc F_aim = F_aim_lastInc + F_aimDot * timeinc
F = reshape(utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average F = reshape(utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average
rotation_BC%rotTensor2(F_aim,active=.true.)),& rotation_BC%rotate(F_aim,active=.true.)),&
[9,grid(1),grid(2),grid3]) [9,grid(1),grid(2),grid3])
if (guess) then if (guess) then
F_tau = reshape(Utilities_forwardField(timeinc,F_tau_lastInc,F_taudot), & F_tau = reshape(Utilities_forwardField(timeinc,F_tau_lastInc,F_taudot), &
@ -351,7 +351,7 @@ subroutine grid_mech_spectral_polarisation_forward(cutBack,guess,timeinc,timeinc
F_tau(1:9,i,j,k) = reshape(F_lambda33,[9])+F(1:9,i,j,k) F_tau(1:9,i,j,k) = reshape(F_lambda33,[9])+F(1:9,i,j,k)
enddo; enddo; enddo enddo; enddo; enddo
endif endif
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)
end subroutine grid_mech_spectral_polarisation_forward end subroutine grid_mech_spectral_polarisation_forward
@ -364,7 +364,7 @@ subroutine grid_mech_spectral_polarisation_updateCoords
PetscErrorCode :: ierr PetscErrorCode :: ierr
PetscScalar, dimension(:,:,:,:), pointer :: FandF_tau PetscScalar, dimension(:,:,:,:), pointer :: FandF_tau
call DMDAVecGetArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) call DMDAVecGetArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)
call utilities_updateCoords(FandF_tau(0:8,:,:,:)) call utilities_updateCoords(FandF_tau(0:8,:,:,:))
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)
@ -391,7 +391,7 @@ subroutine grid_mech_spectral_polarisation_restartWrite
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5' write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName,'w') fileHandle = HDF5_openFile(fileName,'w')
groupHandle = HDF5_addGroup(fileHandle,'solver') groupHandle = HDF5_addGroup(fileHandle,'solver')
call HDF5_write(groupHandle,F_aim, 'F_aim') call HDF5_write(groupHandle,F_aim, 'F_aim')
call HDF5_write(groupHandle,F_aim_lastInc,'F_aim_lastInc') call HDF5_write(groupHandle,F_aim_lastInc,'F_aim_lastInc')
call HDF5_write(groupHandle,F_aimDot, 'F_aimDot') call HDF5_write(groupHandle,F_aimDot, 'F_aimDot')
@ -405,9 +405,9 @@ subroutine grid_mech_spectral_polarisation_restartWrite
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
call HDF5_closeFile(fileHandle) call HDF5_closeFile(fileHandle)
if(num%update_gamma) call utilities_saveReferenceStiffness if(num%update_gamma) call utilities_saveReferenceStiffness
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)
end subroutine grid_mech_spectral_polarisation_restartWrite end subroutine grid_mech_spectral_polarisation_restartWrite
@ -417,13 +417,13 @@ end subroutine grid_mech_spectral_polarisation_restartWrite
!> @brief convergence check !> @brief convergence check
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dummy,ierr) subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dummy,ierr)
SNES :: snes_local SNES :: snes_local
PetscInt, intent(in) :: PETScIter PetscInt, intent(in) :: PETScIter
PetscReal, intent(in) :: & PetscReal, intent(in) :: &
devNull1, & devNull1, &
devNull2, & devNull2, &
devNull3 devNull3
SNESConvergedReason :: reason SNESConvergedReason :: reason
PetscObject :: dummy PetscObject :: dummy
PetscErrorCode :: ierr PetscErrorCode :: ierr
@ -431,11 +431,11 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
curlTol, & curlTol, &
divTol, & divTol, &
BCTol BCTol
curlTol = max(maxval(abs(F_aim-math_I3))*err_curl_tolRel ,err_curl_tolAbs) 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) divTol = max(maxval(abs(P_av)) *err_div_tolRel ,err_div_tolAbs)
BCTol = max(maxval(abs(P_av)) *err_stress_tolRel,err_stress_tolAbs) BCTol = max(maxval(abs(P_av)) *err_stress_tolRel,err_stress_tolAbs)
if ((totalIter >= itmin .and. & if ((totalIter >= itmin .and. &
all([ err_div /divTol, & all([ err_div /divTol, &
err_curl/curlTol, & err_curl/curlTol, &
@ -456,9 +456,9 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', & write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', &
err_curl/curlTol,' (',err_curl,' -, tol = ',curlTol,')' err_curl/curlTol,' (',err_curl,' -, tol = ',curlTol,')'
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', & write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', &
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')' err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
write(6,'(/,a)') ' ===========================================================================' write(6,'(/,a)') ' ==========================================================================='
flush(6) flush(6)
end subroutine converged end subroutine converged
@ -498,7 +498,7 @@ subroutine formResidual(in, FandF_tau, &
F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt
call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr) call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr) call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
@ -510,14 +510,14 @@ subroutine formResidual(in, FandF_tau, &
write(6,'(1x,a,3(a,i0))') trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax write(6,'(1x,a,3(a,i0))') trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) & if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') & write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotTensor2(F_aim,active=.true.)) ' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') & write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim =', transpose(F_aim) ' deformation gradient aim =', transpose(F_aim)
flush(6) flush(6)
endif newIteration endif newIteration
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! !
tensorField_real = 0.0_pReal tensorField_real = 0.0_pReal
do k = 1, grid3; do j = 1, grid(2); do i = 1, grid(1) do k = 1, grid3; do j = 1, grid(2); do i = 1, grid(1)
tensorField_real(1:3,1:3,i,j,k) = & tensorField_real(1:3,1:3,i,j,k) = &
@ -525,15 +525,15 @@ subroutine formResidual(in, FandF_tau, &
polarAlpha*matmul(F(1:3,1:3,i,j,k), & polarAlpha*matmul(F(1:3,1:3,i,j,k), &
math_mul3333xx33(C_scale,F_tau(1:3,1:3,i,j,k) - F(1:3,1:3,i,j,k) - math_I3)) math_mul3333xx33(C_scale,F_tau(1:3,1:3,i,j,k) - F(1:3,1:3,i,j,k) - math_I3))
enddo; enddo; enddo enddo; enddo; enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! doing convolution in Fourier space ! doing convolution in Fourier space
call utilities_FFTtensorForward call utilities_FFTtensorForward
call utilities_fourierGammaConvolution(params%rotation_BC%rotTensor2(polarBeta*F_aim,active=.true.)) call utilities_fourierGammaConvolution(params%rotation_BC%rotate(polarBeta*F_aim,active=.true.))
call utilities_FFTtensorBackward call utilities_FFTtensorBackward
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! constructing residual ! constructing residual
residual_F_tau = polarBeta*F - tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) residual_F_tau = polarBeta*F - tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -541,13 +541,13 @@ subroutine formResidual(in, FandF_tau, &
call utilities_constitutiveResponse(residual_F, & ! "residuum" gets field of first PK stress (to save memory) call utilities_constitutiveResponse(residual_F, & ! "residuum" gets field of first PK stress (to save memory)
P_av,C_volAvg,C_minMaxAvg, & P_av,C_volAvg,C_minMaxAvg, &
F - residual_F_tau/polarBeta,params%timeinc,params%rotation_BC) F - residual_F_tau/polarBeta,params%timeinc,params%rotation_BC)
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! stress BC handling ! stress BC handling
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
err_BC = maxval(abs((1.0_pReal-params%stress_mask) * math_mul3333xx33(C_scale,F_aim & err_BC = maxval(abs((1.0_pReal-params%stress_mask) * math_mul3333xx33(C_scale,F_aim &
-params%rotation_BC%rotTensor2(F_av)) + & -params%rotation_BC%rotate(F_av)) + &
params%stress_mask * (P_av-params%stress_BC))) ! mask = 0.0 for no bc params%stress_mask * (P_av-params%stress_BC))) ! mask = 0.0 for no bc
! calculate divergence ! calculate divergence
tensorField_real = 0.0_pReal tensorField_real = 0.0_pReal
@ -566,7 +566,7 @@ subroutine formResidual(in, FandF_tau, &
math_mul3333xx33(C_scale,F_tau(1:3,1:3,i,j,k) - F(1:3,1:3,i,j,k) - math_I3))) & math_mul3333xx33(C_scale,F_tau(1:3,1:3,i,j,k) - F(1:3,1:3,i,j,k) - math_I3))) &
+ residual_F_tau(1:3,1:3,i,j,k) + residual_F_tau(1:3,1:3,i,j,k)
enddo; enddo; enddo enddo; enddo; enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculating curl ! calculating curl
tensorField_real = 0.0_pReal tensorField_real = 0.0_pReal