From 0508fa9ec2c5ba3c7b02a21e49762534bec87b14 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sun, 27 Nov 2022 17:07:25 +0100 Subject: [PATCH 1/2] flatten solver data layout avoid problem with chunking/compression (only relevant for large simulations when this feature is used). In addition, use a unified variable naming: no "_current" for thermal and damage to follow example of mech. --- PRIVATE | 2 +- src/grid/grid_damage_spectral.f90 | 46 +++++++------- src/grid/grid_mech_FEM.f90 | 40 +++++++----- src/grid/grid_mech_spectral_basic.f90 | 13 ++-- src/grid/grid_mech_spectral_polarisation.f90 | 23 ++++--- src/grid/grid_thermal_spectral.f90 | 66 ++++++++++---------- 6 files changed, 100 insertions(+), 90 deletions(-) diff --git a/PRIVATE b/PRIVATE index 81f5f24d0..ecfe3b3f0 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit 81f5f24d076a623e6052c234825c591267915285 +Subproject commit ecfe3b3f057f4f81b3b1a12399bf238bc2546de7 diff --git a/src/grid/grid_damage_spectral.f90 b/src/grid/grid_damage_spectral.f90 index cd7c20ef8..41422bce2 100644 --- a/src/grid/grid_damage_spectral.f90 +++ b/src/grid/grid_damage_spectral.f90 @@ -46,7 +46,7 @@ module grid_damage_spectral SNES :: SNES_damage Vec :: solution_vec real(pReal), dimension(:,:,:), allocatable :: & - phi_current, & !< field of current damage + phi, & !< field of current damage phi_lastInc, & !< field of previous damage phi_stagInc !< field of staggered damage @@ -112,9 +112,9 @@ subroutine grid_damage_spectral_init() !-------------------------------------------------------------------------------------------------- ! init fields - phi_current = discretization_grid_getInitialCondition('phi') - phi_lastInc = phi_current - phi_stagInc = phi_current + phi = discretization_grid_getInitialCondition('phi') + phi_lastInc = phi + phi_stagInc = phi !-------------------------------------------------------------------------------------------------- ! initialize solver specific parts of PETSc @@ -170,12 +170,12 @@ subroutine grid_damage_spectral_init() ce = 0 do k = 1, cells3; do j = 1, cells(2); do i = 1, cells(1) ce = ce + 1 - call homogenization_set_phi(phi_current(i,j,k),ce) + call homogenization_set_phi(phi(i,j,k),ce) end do; end do; end do call DMDAVecGetArrayF90(damage_grid,solution_vec,phi_PETSc,err_PETSc) CHKERRQ(err_PETSc) - phi_PETSc = phi_current + phi_PETSc = phi call DMDAVecRestoreArrayF90(damage_grid,solution_vec,phi_PETSc,err_PETSc) CHKERRQ(err_PETSc) @@ -218,20 +218,20 @@ function grid_damage_spectral_solution(Delta_t) result(solution) solution%converged = .true. solution%iterationsNeeded = totalIter end if - stagNorm = maxval(abs(phi_current - phi_stagInc)) + stagNorm = maxval(abs(phi - phi_stagInc)) call MPI_Allreduce(MPI_IN_PLACE,stagNorm,1_MPI_INTEGER_KIND,MPI_DOUBLE,MPI_MAX,MPI_COMM_WORLD,err_MPI) if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error' - solution%stagConverged = stagNorm < max(num%eps_damage_atol, num%eps_damage_rtol*maxval(phi_current)) + solution%stagConverged = stagNorm < max(num%eps_damage_atol, num%eps_damage_rtol*maxval(phi)) call MPI_Allreduce(MPI_IN_PLACE,solution%stagConverged,1_MPI_INTEGER_KIND,MPI_LOGICAL,MPI_LAND,MPI_COMM_WORLD,err_MPI) if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error' - phi_stagInc = phi_current + phi_stagInc = phi !-------------------------------------------------------------------------------------------------- ! updating damage state ce = 0 do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1) ce = ce + 1 - call homogenization_set_phi(phi_current(i,j,k),ce) + call homogenization_set_phi(phi(i,j,k),ce) end do; end do; end do call VecMin(solution_vec,devNull,phi_min,err_PETSc) @@ -261,7 +261,7 @@ subroutine grid_damage_spectral_forward(cutBack) if (cutBack) then - phi_current = phi_lastInc + phi = phi_lastInc phi_stagInc = phi_lastInc !-------------------------------------------------------------------------------------------------- ! reverting damage field state @@ -269,16 +269,16 @@ subroutine grid_damage_spectral_forward(cutBack) CHKERRQ(err_PETSc) call DMDAVecGetArrayF90(dm_local,solution_vec,phi_PETSc,err_PETSc) !< get the data out of PETSc to work with CHKERRQ(err_PETSc) - phi_PETSc = phi_current + phi_PETSc = phi call DMDAVecRestoreArrayF90(dm_local,solution_vec,phi_PETSc,err_PETSc) CHKERRQ(err_PETSc) ce = 0 do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1) ce = ce + 1 - call homogenization_set_phi(phi_current(i,j,k),ce) + call homogenization_set_phi(phi(i,j,k),ce) end do; end do; end do else - phi_lastInc = phi_current + phi_lastInc = phi call updateReference end if @@ -297,7 +297,7 @@ subroutine formResidual(in,x_scal,r,dummy,err_PETSc) x_scal PetscScalar, dimension( & X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: & - r + r !< residual PetscObject :: dummy PetscErrorCode, intent(out) :: err_PETSc @@ -305,10 +305,8 @@ subroutine formResidual(in,x_scal,r,dummy,err_PETSc) real(pReal), dimension(3,cells(1),cells(2),cells3) :: vectorField - phi_current = x_scal -!-------------------------------------------------------------------------------------------------- -! evaluate polarization field - vectorField = utilities_ScalarGradient(phi_current) + phi = x_scal + vectorField = utilities_ScalarGradient(phi) ce = 0 do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1) ce = ce + 1 @@ -318,15 +316,13 @@ subroutine formResidual(in,x_scal,r,dummy,err_PETSc) ce = 0 do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1) ce = ce + 1 - r(i,j,k) = params%Delta_t*(r(i,j,k) + homogenization_f_phi(phi_current(i,j,k),ce)) & - + homogenization_mu_phi(ce)*(phi_lastInc(i,j,k) - phi_current(i,j,k)) & - + mu_ref*phi_current(i,j,k) + r(i,j,k) = params%Delta_t*(r(i,j,k) + homogenization_f_phi(phi(i,j,k),ce)) & + + homogenization_mu_phi(ce)*(phi_lastInc(i,j,k) - phi(i,j,k)) & + + mu_ref*phi(i,j,k) end do; end do; end do -!-------------------------------------------------------------------------------------------------- -! constructing residual r = max(min(utilities_GreenConvolution(r, K_ref, mu_ref, params%Delta_t),phi_lastInc),num%phi_min) & - - phi_current + - phi err_PETSc = 0 end subroutine formResidual diff --git a/src/grid/grid_mech_FEM.f90 b/src/grid/grid_mech_FEM.f90 index d9ce6273e..9e9f20d24 100644 --- a/src/grid/grid_mech_FEM.f90 +++ b/src/grid/grid_mech_FEM.f90 @@ -111,10 +111,12 @@ subroutine grid_mechanical_FEM_init 1.0_pReal,-1.0_pReal,-1.0_pReal,-1.0_pReal, & 1.0_pReal, 1.0_pReal, 1.0_pReal, 1.0_pReal], [4,8]) real(pReal), dimension(3,3,3,3) :: devNull + real(pReal), dimension(3,3,product(cells(1:2))*cells3) :: temp33n + real(pReal), dimension(3,product(cells(1:2))*cells3) :: temp3n PetscErrorCode :: err_PETSc integer(MPI_INTEGER_KIND) :: err_MPI PetscScalar, pointer, dimension(:,:,:,:) :: & - u_current,u_lastInc + u,u_lastInc PetscInt, dimension(0:worldsize-1) :: localK integer(HID_T) :: fileHandle, groupHandle type(tDict), pointer :: & @@ -220,7 +222,7 @@ subroutine grid_mechanical_FEM_init CHKERRQ(err_PETSc) call VecSet(solution_rate ,0.0_pReal,err_PETSc) CHKERRQ(err_PETSc) - call DMDAVecGetArrayF90(mechanical_grid,solution_current,u_current,err_PETSc) + call DMDAVecGetArrayF90(mechanical_grid,solution_current,u,err_PETSc) CHKERRQ(err_PETSc) call DMDAVecGetArrayF90(mechanical_grid,solution_lastInc,u_lastInc,err_PETSc) CHKERRQ(err_PETSc) @@ -260,10 +262,14 @@ subroutine grid_mechanical_FEM_init call HDF5_read(F_aimDot,groupHandle,'F_aimDot',.false.) call MPI_Bcast(F_aimDot,9_MPI_INTEGER_KIND,MPI_DOUBLE,0_MPI_INTEGER_KIND,MPI_COMM_WORLD,err_MPI) if(err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error' - call HDF5_read(F,groupHandle,'F') - call HDF5_read(F_lastInc,groupHandle,'F_lastInc') - call HDF5_read(u_current,groupHandle,'u') - call HDF5_read(u_lastInc,groupHandle,'u_lastInc') + call HDF5_read(temp33n,groupHandle,'F') + F = reshape(temp33n,[3,3,cells(1),cells(2),cells3]) + call HDF5_read(temp33n,groupHandle,'F_lastInc') + F_lastInc = reshape(temp33n,[3,3,cells(1),cells(2),cells3]) + call HDF5_read(temp3n,groupHandle,'u') + u = reshape(temp3n,[3,cells(1),cells(2),cells3]) + call HDF5_read(temp3n,groupHandle,'u_lastInc') + u_lastInc = reshape(temp3n,[3,cells(1),cells(2),cells3]) elseif (CLI_restartInc == 0) then restartRead F_lastInc = spread(spread(spread(math_I3,3,cells(1)),4,cells(2)),5,cells3) ! initialize to identity @@ -275,7 +281,7 @@ subroutine grid_mechanical_FEM_init call utilities_constitutiveResponse(P_current,P_av,C_volAvg,devNull, & ! stress field, stress avg, global average of stiffness and (min+max)/2 F, & ! target F 0.0_pReal) ! time increment - call DMDAVecRestoreArrayF90(mechanical_grid,solution_current,u_current,err_PETSc) + call DMDAVecRestoreArrayF90(mechanical_grid,solution_current,u,err_PETSc) CHKERRQ(err_PETSc) call DMDAVecRestoreArrayF90(mechanical_grid,solution_lastInc,u_lastInc,err_PETSc) CHKERRQ(err_PETSc) @@ -354,10 +360,10 @@ subroutine grid_mechanical_FEM_forward(cutBack,guess,Delta_t,Delta_t_old,t_remai rotation_BC PetscErrorCode :: err_PETSc PetscScalar, pointer, dimension(:,:,:,:) :: & - u_current,u_lastInc + u,u_lastInc - call DMDAVecGetArrayF90(mechanical_grid,solution_current,u_current,err_PETSc) + call DMDAVecGetArrayF90(mechanical_grid,solution_current,u,err_PETSc) CHKERRQ(err_PETSc) call DMDAVecGetArrayF90(mechanical_grid,solution_lastInc,u_lastInc,err_PETSc) CHKERRQ(err_PETSc) @@ -410,7 +416,7 @@ subroutine grid_mechanical_FEM_forward(cutBack,guess,Delta_t,Delta_t_old,t_remai call VecAXPY(solution_current,Delta_t,solution_rate,err_PETSc) CHKERRQ(err_PETSc) - call DMDAVecRestoreArrayF90(mechanical_grid,solution_current,u_current,err_PETSc) + call DMDAVecRestoreArrayF90(mechanical_grid,solution_current,u,err_PETSc) CHKERRQ(err_PETSc) call DMDAVecRestoreArrayF90(mechanical_grid,solution_lastInc,u_lastInc,err_PETSc) CHKERRQ(err_PETSc) @@ -441,10 +447,10 @@ subroutine grid_mechanical_FEM_restartWrite PetscErrorCode :: err_PETSc integer(HID_T) :: fileHandle, groupHandle - PetscScalar, dimension(:,:,:,:), pointer :: u_current,u_lastInc + PetscScalar, dimension(:,:,:,:), pointer :: u,u_lastInc - call DMDAVecGetArrayF90(mechanical_grid,solution_current,u_current,err_PETSc) + call DMDAVecGetArrayF90(mechanical_grid,solution_current,u,err_PETSc) CHKERRQ(err_PETSc) call DMDAVecGetArrayF90(mechanical_grid,solution_lastInc,u_lastInc,err_PETSc) CHKERRQ(err_PETSc) @@ -453,10 +459,10 @@ subroutine grid_mechanical_FEM_restartWrite fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','w') groupHandle = HDF5_addGroup(fileHandle,'solver') - call HDF5_write(F,groupHandle,'F') - call HDF5_write(F_lastInc,groupHandle,'F_lastInc') - call HDF5_write(u_current,groupHandle,'u') - call HDF5_write(u_lastInc,groupHandle,'u_lastInc') + call HDF5_write(reshape(F,[3,3,product(cells(1:2))*cells3]),groupHandle,'F') + call HDF5_write(reshape(F_lastInc,[3,3,product(cells(1:2))*cells3]),groupHandle,'F_lastInc') + call HDF5_write(reshape(u,[3,product(cells(1:2))*cells3]),groupHandle,'u') + call HDF5_write(reshape(u_lastInc,[3,product(cells(1:2))*cells3]),groupHandle,'u_lastInc') call HDF5_closeGroup(groupHandle) call HDF5_closeFile(fileHandle) @@ -473,7 +479,7 @@ subroutine grid_mechanical_FEM_restartWrite call HDF5_closeFile(fileHandle) endif - call DMDAVecRestoreArrayF90(mechanical_grid,solution_current,u_current,err_PETSc) + call DMDAVecRestoreArrayF90(mechanical_grid,solution_current,u,err_PETSc) CHKERRQ(err_PETSc) call DMDAVecRestoreArrayF90(mechanical_grid,solution_lastInc,u_lastInc,err_PETSc) CHKERRQ(err_PETSc) diff --git a/src/grid/grid_mech_spectral_basic.f90 b/src/grid/grid_mech_spectral_basic.f90 index c570e94e7..cc4c909e3 100644 --- a/src/grid/grid_mech_spectral_basic.f90 +++ b/src/grid/grid_mech_spectral_basic.f90 @@ -104,7 +104,7 @@ contains !-------------------------------------------------------------------------------------------------- !> @brief allocates all necessary fields and fills them with data, potentially from restart info !-------------------------------------------------------------------------------------------------- -subroutine grid_mechanical_spectral_basic_init +subroutine grid_mechanical_spectral_basic_init() real(pReal), dimension(3,3,cells(1),cells(2),cells3) :: P PetscErrorCode :: err_PETSc @@ -112,6 +112,7 @@ subroutine grid_mechanical_spectral_basic_init PetscScalar, pointer, dimension(:,:,:,:) :: & F ! pointer to solution data PetscInt, dimension(0:worldsize-1) :: localK + real(pReal), dimension(3,3,product(cells(1:2))*cells3) :: temp33n integer(HID_T) :: fileHandle, groupHandle #if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>14) && !defined(PETSC_HAVE_MPI_F90MODULE_VISIBILITY) type(MPI_File) :: fileUnit @@ -229,8 +230,10 @@ subroutine grid_mechanical_spectral_basic_init call HDF5_read(F_aimDot,groupHandle,'F_aimDot',.false.) call MPI_Bcast(F_aimDot,9_MPI_INTEGER_KIND,MPI_DOUBLE,0_MPI_INTEGER_KIND,MPI_COMM_WORLD,err_MPI) if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error' - call HDF5_read(F,groupHandle,'F') - call HDF5_read(F_lastInc,groupHandle,'F_lastInc') + call HDF5_read(temp33n,groupHandle,'F') + F = reshape(temp33n,[9,cells(1),cells(2),cells3]) + call HDF5_read(temp33n,groupHandle,'F_lastInc') + F_lastInc = reshape(temp33n,[3,3,cells(1),cells(2),cells3]) elseif (CLI_restartInc == 0) then restartRead F_lastInc = spread(spread(spread(math_I3,3,cells(1)),4,cells(2)),5,cells3) ! initialize to identity @@ -421,8 +424,8 @@ subroutine grid_mechanical_spectral_basic_restartWrite fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','w') groupHandle = HDF5_addGroup(fileHandle,'solver') - call HDF5_write(F,groupHandle,'F') - call HDF5_write(F_lastInc,groupHandle,'F_lastInc') + call HDF5_write(reshape(F,[3,3,product(cells(1:2))*cells3]),groupHandle,'F') + call HDF5_write(reshape(F_lastInc,[3,3,product(cells(1:2))*cells3]),groupHandle,'F_lastInc') call HDF5_closeGroup(groupHandle) call HDF5_closeFile(fileHandle) diff --git a/src/grid/grid_mech_spectral_polarisation.f90 b/src/grid/grid_mech_spectral_polarisation.f90 index 8c1458daa..f5132b082 100644 --- a/src/grid/grid_mech_spectral_polarisation.f90 +++ b/src/grid/grid_mech_spectral_polarisation.f90 @@ -115,7 +115,7 @@ contains !-------------------------------------------------------------------------------------------------- !> @brief allocates all necessary fields and fills them with data, potentially from restart info !-------------------------------------------------------------------------------------------------- -subroutine grid_mechanical_spectral_polarisation_init +subroutine grid_mechanical_spectral_polarisation_init() real(pReal), dimension(3,3,cells(1),cells(2),cells3) :: P PetscErrorCode :: err_PETSc @@ -125,6 +125,7 @@ subroutine grid_mechanical_spectral_polarisation_init F, & ! specific (sub)pointer F_tau ! specific (sub)pointer PetscInt, dimension(0:worldsize-1) :: localK + real(pReal), dimension(3,3,product(cells(1:2))*cells3) :: temp33n integer(HID_T) :: fileHandle, groupHandle #if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>14) && !defined(PETSC_HAVE_MPI_F90MODULE_VISIBILITY) type(MPI_File) :: fileUnit @@ -250,10 +251,14 @@ subroutine grid_mechanical_spectral_polarisation_init call HDF5_read(F_aimDot,groupHandle,'F_aimDot',.false.) call MPI_Bcast(F_aimDot,9_MPI_INTEGER_KIND,MPI_DOUBLE,0_MPI_INTEGER_KIND,MPI_COMM_WORLD,err_MPI) if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error' - call HDF5_read(F,groupHandle,'F') - call HDF5_read(F_lastInc,groupHandle,'F_lastInc') - call HDF5_read(F_tau,groupHandle,'F_tau') - call HDF5_read(F_tau_lastInc,groupHandle,'F_tau_lastInc') + call HDF5_read(temp33n,groupHandle,'F') + F = reshape(temp33n,[9,cells(1),cells(2),cells3]) + call HDF5_read(temp33n,groupHandle,'F_lastInc') + F_lastInc = reshape(temp33n,[3,3,cells(1),cells(2),cells3]) + call HDF5_read(temp33n,groupHandle,'F_tau') + F_tau = reshape(temp33n,[9,cells(1),cells(2),cells3]) + call HDF5_read(temp33n,groupHandle,'F_tau_lastInc') + F_tau_lastInc = reshape(temp33n,[3,3,cells(1),cells(2),cells3]) elseif (CLI_restartInc == 0) then restartRead F_lastInc = spread(spread(spread(math_I3,3,cells(1)),4,cells(2)),5,cells3) ! initialize to identity @@ -476,10 +481,10 @@ subroutine grid_mechanical_spectral_polarisation_restartWrite fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','w') groupHandle = HDF5_addGroup(fileHandle,'solver') - call HDF5_write(F,groupHandle,'F') - call HDF5_write(F_lastInc,groupHandle,'F_lastInc') - call HDF5_write(F_tau,groupHandle,'F_tau') - call HDF5_write(F_tau_lastInc,groupHandle,'F_tau_lastInc') + call HDF5_write(reshape(F,[3,3,product(cells(1:2))*cells3]),groupHandle,'F') + call HDF5_write(reshape(F_lastInc,[3,3,product(cells(1:2))*cells3]),groupHandle,'F_lastInc') + call HDF5_write(reshape(F_tau,[3,3,product(cells(1:2))*cells3]),groupHandle,'F_tau') + call HDF5_write(reshape(F_tau_lastInc,[3,3,product(cells(1:2))*cells3]),groupHandle,'F_tau_lastInc') call HDF5_closeGroup(groupHandle) call HDF5_closeFile(fileHandle) diff --git a/src/grid/grid_thermal_spectral.f90 b/src/grid/grid_thermal_spectral.f90 index b1dde568f..0c3a2b3ee 100644 --- a/src/grid/grid_thermal_spectral.f90 +++ b/src/grid/grid_thermal_spectral.f90 @@ -48,7 +48,7 @@ module grid_thermal_spectral SNES :: SNES_thermal Vec :: solution_vec real(pReal), dimension(:,:,:), allocatable :: & - T_current, & !< field of current temperature + T, & !< field of current temperature T_lastInc, & !< field of previous temperature T_stagInc, & !< field of staggered temperature dotT_lastInc @@ -78,6 +78,7 @@ subroutine grid_thermal_spectral_init() integer(MPI_INTEGER_KIND) :: err_MPI PetscErrorCode :: err_PETSc integer(HID_T) :: fileHandle, groupHandle + real(pReal), dimension(1,product(cells(1:2))*cells3) :: tempN type(tDict), pointer :: & num_grid @@ -107,10 +108,10 @@ subroutine grid_thermal_spectral_init() !-------------------------------------------------------------------------------------------------- ! init fields - T_current = discretization_grid_getInitialCondition('T') - T_lastInc = T_current - T_stagInc = T_current - dotT_lastInc = 0.0_pReal * T_current + T = discretization_grid_getInitialCondition('T') + T_lastInc = T + T_stagInc = T + dotT_lastInc = 0.0_pReal * T !-------------------------------------------------------------------------------------------------- ! initialize solver specific parts of PETSc @@ -151,20 +152,23 @@ subroutine grid_thermal_spectral_init() fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r') groupHandle = HDF5_openGroup(fileHandle,'solver') - call HDF5_read(T_current,groupHandle,'T',.false.) - call HDF5_read(T_lastInc,groupHandle,'T_lastInc',.false.) - call HDF5_read(dotT_lastInc,groupHandle,'dotT_lastInc',.false.) + call HDF5_read(tempN,groupHandle,'T',.false.) + T = reshape(tempN,[cells(1),cells(2),cells3]) + call HDF5_read(tempN,groupHandle,'T_lastInc',.false.) + T_lastInc = reshape(tempN,[cells(1),cells(2),cells3]) + call HDF5_read(tempN,groupHandle,'dotT_lastInc',.false.) + dotT_lastInc = reshape(tempN,[cells(1),cells(2),cells3]) end if restartRead ce = 0 do k = 1, cells3; do j = 1, cells(2); do i = 1, cells(1) ce = ce + 1 - call homogenization_thermal_setField(T_current(i,j,k),0.0_pReal,ce) + call homogenization_thermal_setField(T(i,j,k),0.0_pReal,ce) end do; end do; end do call DMDAVecGetArrayF90(thermal_grid,solution_vec,T_PETSc,err_PETSc) CHKERRQ(err_PETSc) - T_PETSc = T_current + T_PETSc = T call DMDAVecRestoreArrayF90(thermal_grid,solution_vec,T_PETSc,err_PETSc) CHKERRQ(err_PETSc) @@ -207,20 +211,20 @@ function grid_thermal_spectral_solution(Delta_t) result(solution) solution%converged = .true. solution%iterationsNeeded = totalIter end if - stagNorm = maxval(abs(T_current - T_stagInc)) + stagNorm = maxval(abs(T - T_stagInc)) call MPI_Allreduce(MPI_IN_PLACE,stagNorm,1_MPI_INTEGER_KIND,MPI_DOUBLE,MPI_MAX,MPI_COMM_WORLD,err_MPI) if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error' - solution%stagConverged = stagNorm < max(num%eps_thermal_atol, num%eps_thermal_rtol*maxval(T_current)) + solution%stagConverged = stagNorm < max(num%eps_thermal_atol, num%eps_thermal_rtol*maxval(T)) call MPI_Allreduce(MPI_IN_PLACE,solution%stagConverged,1_MPI_INTEGER_KIND,MPI_LOGICAL,MPI_LAND,MPI_COMM_WORLD,err_MPI) if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error' - T_stagInc = T_current + T_stagInc = T !-------------------------------------------------------------------------------------------------- ! updating thermal state ce = 0 do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1) ce = ce + 1 - call homogenization_thermal_setField(T_current(i,j,k),(T_current(i,j,k)-T_lastInc(i,j,k))/params%Delta_t,ce) + call homogenization_thermal_setField(T(i,j,k),(T(i,j,k)-T_lastInc(i,j,k))/params%Delta_t,ce) end do; end do; end do call VecMin(solution_vec,devNull,T_min,err_PETSc) @@ -250,7 +254,7 @@ subroutine grid_thermal_spectral_forward(cutBack) if (cutBack) then - T_current = T_lastInc + T = T_lastInc T_stagInc = T_lastInc !-------------------------------------------------------------------------------------------------- @@ -259,17 +263,17 @@ subroutine grid_thermal_spectral_forward(cutBack) CHKERRQ(err_PETSc) call DMDAVecGetArrayF90(dm_local,solution_vec,T_PETSc,err_PETSc) !< get the data out of PETSc to work with CHKERRQ(err_PETSc) - T_PETSc = T_current + T_PETSc = T call DMDAVecRestoreArrayF90(dm_local,solution_vec,T_PETSc,err_PETSc) CHKERRQ(err_PETSc) ce = 0 do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1) ce = ce + 1 - call homogenization_thermal_setField(T_current(i,j,k),dotT_lastInc(i,j,k),ce) + call homogenization_thermal_setField(T(i,j,k),dotT_lastInc(i,j,k),ce) end do; end do; end do else - dotT_lastInc = (T_current - T_lastInc)/params%Delta_t - T_lastInc = T_current + dotT_lastInc = (T - T_lastInc)/params%Delta_t + T_lastInc = T call updateReference end if @@ -295,9 +299,9 @@ subroutine grid_thermal_spectral_restartWrite fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','a') groupHandle = HDF5_openGroup(fileHandle,'solver') - call HDF5_write(T,groupHandle,'T') - call HDF5_write(T_lastInc,groupHandle,'T_lastInc') - call HDF5_write(dotT_lastInc,groupHandle,'dotT_lastInc') + call HDF5_write(reshape(T,[1,product(cells(1:2))*cells3]),groupHandle,'T') + call HDF5_write(reshape(T_lastInc,[1,product(cells(1:2))*cells3]),groupHandle,'T_lastInc') + call HDF5_write(reshape(dotT_lastInc,[1,product(cells(1:2))*cells3]),groupHandle,'dotT_lastInc') call HDF5_closeGroup(groupHandle) call HDF5_closeFile(fileHandle) @@ -309,7 +313,7 @@ end subroutine grid_thermal_spectral_restartWrite !-------------------------------------------------------------------------------------------------- -!> @brief Construct the residual vector. +!> @brief forms the spectral thermal residual vector !-------------------------------------------------------------------------------------------------- subroutine formResidual(in,x_scal,r,dummy,err_PETSc) @@ -320,7 +324,7 @@ subroutine formResidual(in,x_scal,r,dummy,err_PETSc) x_scal PetscScalar, dimension( & X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: & - r + r !< residual PetscObject :: dummy PetscErrorCode, intent(out) :: err_PETSc @@ -328,10 +332,8 @@ subroutine formResidual(in,x_scal,r,dummy,err_PETSc) real(pReal), dimension(3,cells(1),cells(2),cells3) :: vectorField - T_current = x_scal -!-------------------------------------------------------------------------------------------------- -! evaluate polarization field - vectorField = utilities_ScalarGradient(T_current) + T = x_scal + vectorField = utilities_ScalarGradient(T) ce = 0 do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1) ce = ce + 1 @@ -342,13 +344,11 @@ subroutine formResidual(in,x_scal,r,dummy,err_PETSc) do k = 1, cells3; do j = 1, cells(2); do i = 1,cells(1) ce = ce + 1 r(i,j,k) = params%Delta_t*(r(i,j,k) + homogenization_f_T(ce)) & - + homogenization_mu_T(ce) * (T_lastInc(i,j,k) - T_current(i,j,k)) & - + mu_ref*T_current(i,j,k) + + homogenization_mu_T(ce) * (T_lastInc(i,j,k) - T(i,j,k)) & + + mu_ref*T(i,j,k) end do; end do; end do -!-------------------------------------------------------------------------------------------------- -! constructing residual - r = T_current & + r = T & - utilities_GreenConvolution(r, K_ref, mu_ref, params%Delta_t) err_PETSc = 0 From fd2b892f3e8f4c0a4942da95c8cd571ad1f79d29 Mon Sep 17 00:00:00 2001 From: Test User Date: Wed, 30 Nov 2022 04:36:32 +0100 Subject: [PATCH 2/2] [skip ci] updated version information after successful test of v3.0.0-alpha7-171-g26ff1b895 --- VERSION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/VERSION b/VERSION index 825f32e31..e1724f8bb 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -3.0.0-alpha7-168-g741aeab1d +3.0.0-alpha7-171-g26ff1b895