name adjustments

src/grid/grid_damage_spectral.f90

@@ -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()

src/grid/grid_mech_FEM.f90

@@ -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)
 
-!--------------------------------------------------------------------------------------------------
+  call SNESsolve(SNES_mechanical,PETSC_NULL_VEC,solution_current,err_PETSc)
-! solve BVP
-  call SNESsolve(mechanical_snes,PETSC_NULL_VEC,solution_current,err_PETSc)
   CHKERRQ(err_PETSc)
-
+  call SNESGetConvergedReason(SNES_mechanical,reason,err_PETSc)
-!--------------------------------------------------------------------------------------------------
-! check convergence
-  call SNESGetConvergedReason(mechanical_snes,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

src/grid/grid_mech_spectral_basic.f90

@@ -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 SNESCreate(PETSC_COMM_WORLD,SNES_mechanical,err_PETSc)
-  call SNESSetOptionsPrefix(snes,'mechanical_',err_PETSc);CHKERRQ(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 SNESSetDM(SNES_mechanical,da,err_PETSc); CHKERRQ(err_PETSc)
-  call SNESsetFromOptions(snes,err_PETSc); CHKERRQ(err_PETSc)                                       ! pull it all together with additional CLI arguments
+  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)
 
-!--------------------------------------------------------------------------------------------------
+  call SNESsolve(SNES_mechanical,PETSC_NULL_VEC,solution_vec,err_PETSc)
-! solve BVP
+  CHKERRQ(err_PETSc)
-  call SNESsolve(snes,PETSC_NULL_VEC,solution_vec,err_PETSc); CHKERRQ(err_PETSc)
+  call SNESGetConvergedReason(SNES_mechanical,reason,err_PETSc)
-
+  CHKERRQ(err_PETSc)
-!--------------------------------------------------------------------------------------------------
-! check convergence
-  call SNESGetConvergedReason(snes,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 SNESGetNumberFunctionEvals(SNES_mechanical,nfuncs,err_PETSc)
-  call SNESGetIterationNumber(snes,PETScIter,err_PETSc);  CHKERRQ(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
 

src/grid/grid_mech_spectral_polarisation.f90

@@ -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 SNESCreate(PETSC_COMM_WORLD,SNES_mechanical,err_PETSc); CHKERRQ(err_PETSc)
-  call SNESSetOptionsPrefix(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 SNESSetDM(SNES_mechanical,da,err_PETSc); CHKERRQ(err_PETSc)
-  call SNESsetFromOptions(snes,err_PETSc); CHKERRQ(err_PETSc)                                       ! pull it all together with additional CLI arguments
+  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
 
-!--------------------------------------------------------------------------------------------------
+  call SNESSolve(SNES_mechanical,PETSC_NULL_VEC,solution_vec,err_PETSc)
-! solve BVP
+  CHKERRQ(err_PETSc)
-  call SNESsolve(snes,PETSC_NULL_VEC,solution_vec,err_PETSc); CHKERRQ(err_PETSc)
+  call SNESGetConvergedReason(SNES_mechanical,reason,err_PETSc)
-
+  CHKERRQ(err_PETSc)
-!--------------------------------------------------------------------------------------------------
-! check convergence
-  call SNESGetConvergedReason(snes,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, &
+    r_F, &
-    residual_F_tau
+    r_F_tau
   PetscInt :: &
     PETScIter, &
     nfuncs
@@ -555,21 +553,23 @@ subroutine formResidual(in, FandF_tau, &
 
 !---------------------------------------------------------------------------------------------------
 
-  F              => FandF_tau(1:3,1:3,1,&
+  F       => FandF_tau(1:3,1:3,1,&
-                              XG_RANGE,YG_RANGE,ZG_RANGE)
+                       XG_RANGE,YG_RANGE,ZG_RANGE)
-  F_tau          => FandF_tau(1:3,1:3,2,&
+  F_tau   => FandF_tau(1:3,1:3,2,&
-                              XG_RANGE,YG_RANGE,ZG_RANGE)
+                       XG_RANGE,YG_RANGE,ZG_RANGE)
-  residual_F     => r(1:3,1:3,1,&
+  r_F     => r(1:3,1:3,1,&
-                      X_RANGE, Y_RANGE, Z_RANGE)
+               X_RANGE, Y_RANGE, Z_RANGE)
-  residual_F_tau => r(1:3,1:3,2,&
+  r_F_tau => r(1:3,1:3,2,&
-                      X_RANGE, Y_RANGE, Z_RANGE)
+               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 SNESGetNumberFunctionEvals(SNES_mechanical,nfuncs,err_PETSc)
-  call SNESGetIterationNumber(snes,PETScIter,err_PETSc);  CHKERRQ(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
 
 !--------------------------------------------------------------------------------------------------

src/grid/grid_thermal_spectral.f90

@@ -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