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DAMASK_EICMD
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name adjustments

This commit is contained in:
Martin Diehl 2022-01-21 08:09:00 +01:00
parent bc1b391449
commit 96fed368ad
5 changed files with 63 additions and 71 deletions
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6
src/grid/grid_damage_spectral.f90
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@ -132,7 +132,7 @@ subroutine grid_damage_spectral_init()
call DMCreateGlobalVector(damage_grid,solution_vec,err_PETSc); CHKERRQ(err_PETSc) ! global solution vector (grid x 1, i.e. every def grad tensor)
call DMDASNESSetFunctionLocal(damage_grid,INSERT_VALUES,formResidual,PETSC_NULL_SNES,err_PETSc) ! residual vector of same shape as solution vector
CHKERRQ(err_PETSc)
call SNESSetDM(SNES_damage,damage_grid,err_PETSc); CHKERRQ(err_PETSc) ! connect snes to da
call SNESSetDM(SNES_damage,damage_grid,err_PETSc); CHKERRQ(err_PETSc)
call SNESSetFromOptions(SNES_damage,err_PETSc); CHKERRQ(err_PETSc) ! pull it all together with additional CLI arguments
call SNESGetType(SNES_damage,snes_type,err_PETSc); CHKERRQ(err_PETSc)
if (trim(snes_type) == 'vinewtonrsls' .or. &
@ -141,12 +141,10 @@ subroutine grid_damage_spectral_init()
call DMGetGlobalVector(damage_grid,uBound,err_PETSc); CHKERRQ(err_PETSc)
call VecSet(lBound,0.0_pReal,err_PETSc); CHKERRQ(err_PETSc)
call VecSet(uBound,1.0_pReal,err_PETSc); CHKERRQ(err_PETSc)
call SNESVISetVariableBounds(SNES_damage,lBound,uBound,err_PETSc) ! variable bounds for variational inequalities like contact mechanics, damage etc.
call SNESVISetVariableBounds(SNES_damage,lBound,uBound,err_PETSc) ! variable bounds for variational inequalities
call DMRestoreGlobalVector(damage_grid,lBound,err_PETSc); CHKERRQ(err_PETSc)
call DMRestoreGlobalVector(damage_grid,uBound,err_PETSc); CHKERRQ(err_PETSc)
end if
!--------------------------------------------------------------------------------------------------
call VecSet(solution_vec,1.0_pReal,err_PETSc); CHKERRQ(err_PETSc)
call updateReference()

27
src/grid/grid_mech_FEM.f90
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@ -50,7 +50,7 @@ module grid_mechanical_FEM
!--------------------------------------------------------------------------------------------------
! PETSc data
DM :: mechanical_grid
SNES :: mechanical_snes
SNES :: SNES_mechanical
Vec :: solution_current, solution_lastInc, solution_rate
!--------------------------------------------------------------------------------------------------
@ -159,9 +159,9 @@ subroutine grid_mechanical_FEM_init
!--------------------------------------------------------------------------------------------------
! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,mechanical_snes,err_PETSc)
call SNESCreate(PETSC_COMM_WORLD,SNES_mechanical,err_PETSc)
CHKERRQ(err_PETSc)
call SNESSetOptionsPrefix(mechanical_snes,'mechanical_',err_PETSc)
call SNESSetOptionsPrefix(SNES_mechanical,'mechanical_',err_PETSc)
CHKERRQ(err_PETSc)
localK = 0_pPetscInt
localK(worldrank) = int(grid3,pPetscInt)
@ -192,13 +192,13 @@ subroutine grid_mechanical_FEM_init
CHKERRQ(err_PETSc)
call DMSNESSetJacobianLocal(mechanical_grid,formJacobian,PETSC_NULL_SNES,err_PETSc)
CHKERRQ(err_PETSc)
call SNESSetConvergenceTest(mechanical_snes,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,err_PETSc) ! specify custom convergence check function "_converged"
call SNESSetConvergenceTest(SNES_mechanical,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,err_PETSc) ! specify custom convergence check function "_converged"
CHKERRQ(err_PETSc)
call SNESSetMaxLinearSolveFailures(mechanical_snes, huge(1_pPetscInt), err_PETSc) ! ignore linear solve failures
call SNESSetMaxLinearSolveFailures(SNES_mechanical, huge(1_pPetscInt), err_PETSc) ! ignore linear solve failures
CHKERRQ(err_PETSc)
call SNESSetDM(mechanical_snes,mechanical_grid,err_PETSc)
call SNESSetDM(SNES_mechanical,mechanical_grid,err_PETSc)
CHKERRQ(err_PETSc)
call SNESSetFromOptions(mechanical_snes,err_PETSc) ! pull it all together with additional cli arguments
call SNESSetFromOptions(SNES_mechanical,err_PETSc) ! pull it all together with additional cli arguments
CHKERRQ(err_PETSc)
!--------------------------------------------------------------------------------------------------
@ -305,14 +305,9 @@ function grid_mechanical_FEM_solution(incInfoIn) result(solution)
! update stiffness (and gamma operator)
S = utilities_maskedCompliance(params%rotation_BC,params%stress_mask,C_volAvg)
!--------------------------------------------------------------------------------------------------
! solve BVP
call SNESsolve(mechanical_snes,PETSC_NULL_VEC,solution_current,err_PETSc)
call SNESsolve(SNES_mechanical,PETSC_NULL_VEC,solution_current,err_PETSc)
CHKERRQ(err_PETSc)
!--------------------------------------------------------------------------------------------------
! check convergence
call SNESGetConvergedReason(mechanical_snes,reason,err_PETSc)
call SNESGetConvergedReason(SNES_mechanical,reason,err_PETSc)
CHKERRQ(err_PETSc)
solution%converged = reason > 0
@ -533,9 +528,9 @@ subroutine formResidual(da_local,x_local, &
integer(MPI_INTEGER_KIND) :: err_MPI
real(pReal), dimension(3,3,3,3) :: devNull
call SNESGetNumberFunctionEvals(mechanical_snes,nfuncs,err_PETSc)
call SNESGetNumberFunctionEvals(SNES_mechanical,nfuncs,err_PETSc)
CHKERRQ(err_PETSc)
call SNESGetIterationNumber(mechanical_snes,PETScIter,err_PETSc)
call SNESGetIterationNumber(SNES_mechanical,PETScIter,err_PETSc)
CHKERRQ(err_PETSc)
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1 ! new increment

31
src/grid/grid_mech_spectral_basic.f90
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@ -50,7 +50,7 @@ module grid_mechanical_spectral_basic
!--------------------------------------------------------------------------------------------------
! PETSc data
DM :: da
SNES :: snes
SNES :: SNES_mechanical
Vec :: solution_vec
!--------------------------------------------------------------------------------------------------
@ -158,8 +158,10 @@ subroutine grid_mechanical_spectral_basic_init
!--------------------------------------------------------------------------------------------------
! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,snes,err_PETSc); CHKERRQ(err_PETSc)
call SNESSetOptionsPrefix(snes,'mechanical_',err_PETSc);CHKERRQ(err_PETSc)
call SNESCreate(PETSC_COMM_WORLD,SNES_mechanical,err_PETSc)
CHKERRQ(err_PETSc)
call SNESSetOptionsPrefix(SNES_mechanical,'mechanical_',err_PETSc)
CHKERRQ(err_PETSc)
localK = 0_pPetscInt
localK(worldrank) = int(grid3,pPetscInt)
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,MPI_COMM_WORLD,err_MPI)
@ -178,10 +180,10 @@ subroutine grid_mechanical_spectral_basic_init
call DMcreateGlobalVector(da,solution_vec,err_PETSc); CHKERRQ(err_PETSc) ! global solution vector (grid x 9, i.e. every def grad tensor)
call DMDASNESsetFunctionLocal(da,INSERT_VALUES,formResidual,PETSC_NULL_SNES,err_PETSc) ! residual vector of same shape as solution vector
CHKERRQ(err_PETSc)
call SNESsetConvergenceTest(snes,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,err_PETSc) ! specify custom convergence check function "converged"
call SNESsetConvergenceTest(SNES_mechanical,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,err_PETSc) ! specify custom convergence check function "converged"
CHKERRQ(err_PETSc)
call SNESSetDM(snes,da,err_PETSc); CHKERRQ(err_PETSc) ! connect snes to da
call SNESsetFromOptions(snes,err_PETSc); CHKERRQ(err_PETSc) ! pull it all together with additional CLI arguments
call SNESSetDM(SNES_mechanical,da,err_PETSc); CHKERRQ(err_PETSc)
call SNESsetFromOptions(SNES_mechanical,err_PETSc); CHKERRQ(err_PETSc) ! pull it all together with additional CLI arguments
!--------------------------------------------------------------------------------------------------
! init fields
@ -270,13 +272,10 @@ function grid_mechanical_spectral_basic_solution(incInfoIn) result(solution)
S = utilities_maskedCompliance(params%rotation_BC,params%stress_mask,C_volAvg)
if (num%update_gamma) call utilities_updateGamma(C_minMaxAvg)
!--------------------------------------------------------------------------------------------------
! solve BVP
call SNESsolve(snes,PETSC_NULL_VEC,solution_vec,err_PETSc); CHKERRQ(err_PETSc)
!--------------------------------------------------------------------------------------------------
! check convergence
call SNESGetConvergedReason(snes,reason,err_PETSc); CHKERRQ(err_PETSc)
call SNESsolve(SNES_mechanical,PETSC_NULL_VEC,solution_vec,err_PETSc)
CHKERRQ(err_PETSc)
call SNESGetConvergedReason(SNES_mechanical,reason,err_PETSc)
CHKERRQ(err_PETSc)
solution%converged = reason > 0
solution%iterationsNeeded = totalIter
@ -482,8 +481,10 @@ subroutine formResidual(in, F, &
PetscErrorCode :: err_PETSc
integer(MPI_INTEGER_KIND) :: err_MPI
call SNESGetNumberFunctionEvals(snes,nfuncs,err_PETSc); CHKERRQ(err_PETSc)
call SNESGetIterationNumber(snes,PETScIter,err_PETSc); CHKERRQ(err_PETSc)
call SNESGetNumberFunctionEvals(SNES_mechanical,nfuncs,err_PETSc)
CHKERRQ(err_PETSc)
call SNESGetIterationNumber(SNES_mechanical,PETScIter,err_PETSc)
CHKERRQ(err_PETSc)
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1 ! new increment

66
src/grid/grid_mech_spectral_polarisation.f90
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@ -55,7 +55,7 @@ module grid_mechanical_spectral_polarisation
!--------------------------------------------------------------------------------------------------
! PETSc data
DM :: da
SNES :: snes
SNES :: SNES_mechanical
Vec :: solution_vec
!--------------------------------------------------------------------------------------------------
@ -178,8 +178,9 @@ subroutine grid_mechanical_spectral_polarisation_init
!--------------------------------------------------------------------------------------------------
! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,snes,err_PETSc); CHKERRQ(err_PETSc)
call SNESSetOptionsPrefix(snes,'mechanical_',err_PETSc);CHKERRQ(err_PETSc)
call SNESCreate(PETSC_COMM_WORLD,SNES_mechanical,err_PETSc); CHKERRQ(err_PETSc)
call SNESSetOptionsPrefix(SNES_mechanical,'mechanical_',err_PETSc)
CHKERRQ(err_PETSc)
localK = 0_pPetscInt
localK(worldrank) = int(grid3,pPetscInt)
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,MPI_COMM_WORLD,err_MPI)
@ -198,10 +199,10 @@ subroutine grid_mechanical_spectral_polarisation_init
call DMcreateGlobalVector(da,solution_vec,err_PETSc); CHKERRQ(err_PETSc) ! global solution vector (grid x 18, i.e. every def grad tensor)
call DMDASNESsetFunctionLocal(da,INSERT_VALUES,formResidual,PETSC_NULL_SNES,err_PETSc) ! residual vector of same shape as solution vector
CHKERRQ(err_PETSc)
call SNESsetConvergenceTest(snes,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,err_PETSc) ! specify custom convergence check function "converged"
call SNESsetConvergenceTest(SNES_mechanical,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,err_PETSc) ! specify custom convergence check function "converged"
CHKERRQ(err_PETSc)
call SNESSetDM(snes,da,err_PETSc); CHKERRQ(err_PETSc) ! connect snes to da
call SNESsetFromOptions(snes,err_PETSc); CHKERRQ(err_PETSc) ! pull it all together with additional CLI arguments
call SNESSetDM(SNES_mechanical,da,err_PETSc); CHKERRQ(err_PETSc)
call SNESsetFromOptions(SNES_mechanical,err_PETSc); CHKERRQ(err_PETSc) ! pull it all together with additional CLI arguments
!--------------------------------------------------------------------------------------------------
! init fields
@ -285,7 +286,7 @@ function grid_mechanical_spectral_polarisation_solution(incInfoIn) result(soluti
! input data for solution
character(len=*), intent(in) :: &
incInfoIn
type(tSolutionState) :: &
type(tSolutionState) :: &
solution
!--------------------------------------------------------------------------------------------------
! PETSc Data
@ -303,13 +304,10 @@ function grid_mechanical_spectral_polarisation_solution(incInfoIn) result(soluti
S_scale = math_invSym3333(C_minMaxAvg)
end if
!--------------------------------------------------------------------------------------------------
! solve BVP
call SNESsolve(snes,PETSC_NULL_VEC,solution_vec,err_PETSc); CHKERRQ(err_PETSc)
!--------------------------------------------------------------------------------------------------
! check convergence
call SNESGetConvergedReason(snes,reason,err_PETSc); CHKERRQ(err_PETSc)
call SNESSolve(SNES_mechanical,PETSC_NULL_VEC,solution_vec,err_PETSc)
CHKERRQ(err_PETSc)
call SNESGetConvergedReason(SNES_mechanical,reason,err_PETSc)
CHKERRQ(err_PETSc)
solution%converged = reason > 0
solution%iterationsNeeded = totalIter
@ -542,8 +540,8 @@ subroutine formResidual(in, FandF_tau, &
PetscScalar, pointer, dimension(:,:,:,:,:) :: &
F, &
F_tau, &
residual_F, &
residual_F_tau
r_F, &
r_F_tau
PetscInt :: &
PETScIter, &
nfuncs
@ -555,21 +553,23 @@ subroutine formResidual(in, FandF_tau, &
!---------------------------------------------------------------------------------------------------
F => FandF_tau(1:3,1:3,1,&
XG_RANGE,YG_RANGE,ZG_RANGE)
F_tau => FandF_tau(1:3,1:3,2,&
XG_RANGE,YG_RANGE,ZG_RANGE)
residual_F => r(1:3,1:3,1,&
X_RANGE, Y_RANGE, Z_RANGE)
residual_F_tau => r(1:3,1:3,2,&
X_RANGE, Y_RANGE, Z_RANGE)
F => FandF_tau(1:3,1:3,1,&
XG_RANGE,YG_RANGE,ZG_RANGE)
F_tau => FandF_tau(1:3,1:3,2,&
XG_RANGE,YG_RANGE,ZG_RANGE)
r_F => r(1:3,1:3,1,&
X_RANGE, Y_RANGE, Z_RANGE)
r_F_tau => r(1:3,1:3,2,&
X_RANGE, Y_RANGE, Z_RANGE)
F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt
call MPI_Allreduce(MPI_IN_PLACE,F_av,9_MPI_INTEGER_KIND,MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,err_MPI)
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
call SNESGetNumberFunctionEvals(snes,nfuncs,err_PETSc); CHKERRQ(err_PETSc)
call SNESGetIterationNumber(snes,PETScIter,err_PETSc); CHKERRQ(err_PETSc)
call SNESGetNumberFunctionEvals(SNES_mechanical,nfuncs,err_PETSc)
CHKERRQ(err_PETSc)
call SNESGetIterationNumber(SNES_mechanical,PETScIter,err_PETSc)
CHKERRQ(err_PETSc)
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1 ! new increment
@ -603,13 +603,13 @@ subroutine formResidual(in, FandF_tau, &
!--------------------------------------------------------------------------------------------------
! constructing residual
residual_F_tau = num%beta*F - tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3)
r_F_tau = num%beta*F - tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3)
!--------------------------------------------------------------------------------------------------
! evaluate constitutive response
call utilities_constitutiveResponse(residual_F, & ! "residuum" gets field of first PK stress (to save memory)
call utilities_constitutiveResponse(r_F, & ! "residuum" gets field of first PK stress (to save memory)
P_av,C_volAvg,C_minMaxAvg, &
F - residual_F_tau/num%beta,params%Delta_t,params%rotation_BC)
F - r_F_tau/num%beta,params%Delta_t,params%rotation_BC)
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1_MPI_INTEGER_KIND,MPI_LOGICAL,MPI_LOR,MPI_COMM_WORLD,err_MPI)
!--------------------------------------------------------------------------------------------------
@ -620,7 +620,7 @@ subroutine formResidual(in, FandF_tau, &
params%stress_mask)))
! calculate divergence
tensorField_real = 0.0_pReal
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residual_F !< stress field in disguise
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = r_F !< stress field in disguise
call utilities_FFTtensorForward
err_div = utilities_divergenceRMS() !< root mean squared error in divergence of stress
@ -629,11 +629,11 @@ subroutine formResidual(in, FandF_tau, &
e = 0
do k = 1, grid3; do j = 1, grid(2); do i = 1, grid(1)
e = e + 1
residual_F(1:3,1:3,i,j,k) = &
r_F(1:3,1:3,i,j,k) = &
math_mul3333xx33(math_invSym3333(homogenization_dPdF(1:3,1:3,1:3,1:3,e) + C_scale), &
residual_F(1:3,1:3,i,j,k) - matmul(F(1:3,1:3,i,j,k), &
r_F(1:3,1:3,i,j,k) - 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))) &
+ residual_F_tau(1:3,1:3,i,j,k)
+ r_F_tau(1:3,1:3,i,j,k)
end do; end do; end do
!--------------------------------------------------------------------------------------------------

4
src/grid/grid_thermal_spectral.f90
View File

@ -134,10 +134,8 @@ subroutine grid_thermal_spectral_init(T_0)
CHKERRQ(err_PETSc)
call DMDASNESSetFunctionLocal(thermal_grid,INSERT_VALUES,formResidual,PETSC_NULL_SNES,err_PETSc) ! residual vector of same shape as solution vector
CHKERRQ(err_PETSc)
call SNESSetDM(SNES_thermal,thermal_grid,err_PETSc); CHKERRQ(err_PETSc) ! connect snes to da
call SNESSetDM(SNES_thermal,thermal_grid,err_PETSc); CHKERRQ(err_PETSc)
call SNESSetFromOptions(SNES_thermal,err_PETSc); CHKERRQ(err_PETSc) ! pull it all together with additional CLI arguments
!--------------------------------------------------------------------------------------------------
call DMDAVecGetArrayF90(thermal_grid,solution_vec,T_PETSc,err_PETSc)
CHKERRQ(err_PETSc)
T_PETSc = T_current