diff --git a/docs/documentation/case.md b/docs/documentation/case.md index ecdeb786d4..86af84e0b3 100644 --- a/docs/documentation/case.md +++ b/docs/documentation/case.md @@ -266,6 +266,16 @@ Setup: Only requires specifying `init_dir` and filename pattern via `zeros_defau Implementation: All variables and file handling are managed in `src/common/include/ExtrusionHardcodedIC.fpp` with no manual grid configuration needed. Usage: Ideal for initializing simulations from lower-dimensional solutions, enabling users to add perturbations or modifications to the base extruded fields for flow instability studies. +The following parameters support hardcoded initial conditions that read interface data from files: + +| Parameter | Type | Description | +| ---: | :---: | :--- | +| `interface_file` | String | Path to interface geometry data file | +| `normFac` | Real | Interface normalization factor | +| `normMag` | Real | Interface normal magnitude | +| `g0_ic` | Real | Initial gas volume fraction for interfacial IC | +| `p0_ic` | Real | Initial pressure for interfacial IC | + #### Parameter Descriptions - `num_patches` defines the total number of patches defined in the domain. @@ -788,7 +798,7 @@ Details of the transducer acoustic source model can be found in \cite Maeda17. | ---: | :----: | :--- | | `bubbles_euler` | Logical | Ensemble-averaged bubble modeling | | `bubbles_lagrange` | Logical | Volume-averaged bubble modeling | -| `bubble_model` | Integer | [1] Gilmore; [2] Keller--Miksis; [3] Rayleigh-Plesset | +| `bubble_model` | Integer | [0] Particle; [1] Gilmore; [2] Keller--Miksis; [3] Rayleigh-Plesset | | `Ca` | Real | Cavitation number | | `Web` | Real | Weber number | | `Re_inv` | Real | Inverse Reynolds number | @@ -892,6 +902,13 @@ When ``polytropic = 'F'``, the gas compression is modeled as non-polytropic due | `epsilonb` | Real | Standard deviation scaling for the gaussian function | | `charwidth` | Real | Domain virtual depth (z direction, for 2D simulations) | | `valmaxvoid` | Real | Maximum void fraction permitted | +| `drag_model` | Integer | Drag model for bubble dynamics | +| `vel_model` | Integer | Velocity model for bubble interface | +| `charNz` | Integer | Characteristic size parameter | +| `input_path` | String | Path to bubble input file (default: `./input`) | +| `pressure_force` | Logical | Enable pressure gradient force | +| `gravity_force` | Logical | Enable gravitational force | +| `write_void_evol` | Logical | Write void fraction evolution data | - `nBubs_glb` Total number of bubbles. Their initial conditions need to be specified in the ./input/lag_bubbles.dat file. See the example cases for additional information. @@ -905,6 +922,47 @@ When ``polytropic = 'F'``, the gas compression is modeled as non-polytropic due - `massTransfer_model` Activates the mass transfer model at the bubble's interface based on (\cite Preston07). +#### 9.3 Lagrangian Solid Particle Model + +| Parameter | Type | Description | +| ---: | :---: | :--- | +| `particles_lagrange` | Logical | Lagrangian solid particle model switch | +| `nParticles_glb` | Integer | Global number of particles | +| `solver_approach` | Integer | 1: One-way coupling, 2: Two-way coupling | +| `smooth_type` | Integer | Smoothing function. 1: Gaussian, 2: Delta 3x3 | +| `stokes_drag` | Integer | Stokes drag model flag | +| `qs_drag_model` | Integer | Quasi-steady drag model (0: off, 1: Parmar, 2: Osnes, 3: Modified Parmar, 4: Gidaspow) | +| `added_mass_model` | Integer | Added mass model (0: off, >0: active) | +| `interpolation_order` | Integer | Polynomial order for barycentric field interpolation | +| `collision_force` | Logical | Enable soft-sphere DEM particle-particle collisions | +| `qs_fluct_force` | Logical | Enable quasi-steady drag force fluctuation contribution | +| `pressure_force` | Logical | Enable pressure gradient force on particles | +| `gravity_force` | Logical | Enable gravitational force on particles | +| `write_void_evol` | Logical | Write void fraction evolution data | +| `epsilonb` | Real | Standard deviation scaling for the Gaussian kernel | +| `valmaxvoid` | Real | Maximum void fraction permitted | +| `mu_ref` | Real | Fluid reference dynamic viscosity | +| `particle_pp%%rho0ref_particle` | Real | Reference particle material density | +| `particle_pp%%cp_particle` | Real | Particle specific heat capacity | +| `particle_pp%%ksp_col` | Real | Spring stiffness multiplier for collisions | +| `particle_pp%%nu_col` | Real | Poisson's ratio used for collisions | +| `particle_pp%%E_col` | Real | Young's modulus [Pa] used for collisions | +| `particle_pp%%cor_col` | Real | Coefficient of restitution of particles | + +- `particles_lagrange` activates the Euler-Lagrange solid particle solver. Particle initial conditions are read from `./input/lag_particles.dat`. The solver tracks non-deformable spherical particles in a compressible carrier flow using volume-averaged source terms (\cite Maeda18). + +- `nParticles_glb` specifies the total number of particles across all MPI ranks. Their initial positions, velocities, and radii must be specified in the input file. + +- `solver_approach` specifies the coupling method: [1] one-way coupling where particles are advected by the flow but do not influence it, [2] two-way coupling where particle forces are projected back onto the Eulerian grid as source terms. + +- `qs_drag_model` selects the quasi-steady drag correlation: [1] Parmar et al. (2010) with Sangani volume fraction correction, [2] Osnes et al. (2023) full correlation with Loth et al. (2021) rarefied regime, [3] Modified Parmar with Osnes et al. (2023) volume fraction correction, [4] Gidaspow (1994) correlation for dense particle suspensions. + +- `collision_force` activates soft-sphere DEM collisions using a spring-dashpot contact model with Hertzian stiffness. Collision forces between particles on different MPI ranks are communicated via non-blocking point-to-point messaging. + +- `interpolation_order` sets the order of the barycentric Lagrange polynomial used to interpolate Eulerian field quantities (pressure, velocity, density) to particle positions. Must be even; the interpolation stencil uses `N/2` points in each direction. + +- `mu_ref` is the fluids reference dynamic viscosity at 273.15 K. Used for particle drag if "viscous" is turned off. Only the air sutherland model is currently implemented. If "viscous" is enabled, the true fluid's viscosity is used. + ### 10. Velocity Field Setup {#sec-velocity-field-setup} | Parameter | Type | Description | diff --git a/docs/documentation/equations.md b/docs/documentation/equations.md index 6bb17aa9de..b69a29adf2 100644 --- a/docs/documentation/equations.md +++ b/docs/documentation/equations.md @@ -514,6 +514,46 @@ with \f$\sigma = \varepsilon_b \max(\Delta x^{1/3}_\text{cell},\;R_\text{bubble} Each bubble is tracked individually with Keller-Miksis dynamics and 4th-order adaptive Runge-Kutta time integration. +### 6.3 Euler-Lagrange Solid Particles (`particles_lagrange = .true.`) + +**Source:** `src/simulation/m_particles_EL.fpp`, `src/simulation/m_particles_EL_kernels.fpp` + +The Euler-Lagrange particle solver tracks non-deformable solid particles in a compressible carrier flow. +The volume-averaged carrier flow equations use the same source term framework as the bubble model (Section 6.2), +with the particle volume fraction \f$\alpha_p\f$ replacing the bubble void fraction \f$\alpha\f$. + +**Particle volume fraction via Gaussian kernel:** + +\f[\alpha_p(\mathbf{x}) = \sum_n V_{p,n}\,\delta_\sigma(\mathbf{x} - \mathbf{x}_n)\f] + +where \f$V_{p,n} = \frac{4}{3}\pi R_n^3\f$ is the volume of particle \f$n\f$ and \f$\delta_\sigma\f$ is the Gaussian regularization kernel from Section 6.2. + +**Particle equation of motion:** + +\f[m_p \frac{d\mathbf{u}_p}{dt} = \mathbf{F}_\text{drag} + \mathbf{F}_\text{pressure} + \mathbf{F}_\text{AM} + \mathbf{F}_\text{gravity} + \mathbf{F}_\text{collision}\f] + +**Quasi-steady drag force:** + +\f[\mathbf{F}_\text{drag} = \beta\,(\mathbf{u}_f - \mathbf{u}_p)\f] + +where \f$\beta\f$ is a drag coefficient computed from one of several correlations selected via `qs_drag_model`: +- Parmar et al. (2010): Re and Ma corrections with Sangani et al. (1991) volume fraction correction +- Modified Parmar: Re and Ma corrections with Osnes et al. (2023) volume fraction correction +- Osnes et al. (2023): comprehensive correlation for compressible flow through random particle suspensions +- Gidaspow (1994): Ergun/Wen-Yu correlation for dense suspensions + +**Pressure gradient force** (`pressure_force = .true.`): + +\f[\mathbf{F}_\text{pressure} = -V_p\,\nabla p\f] + +**Added mass force** (`added_mass_model > 0`): + +\f[\mathbf{F}_\text{AM} = C_\text{AM}\,\rho_f\,V_p\left(\frac{D\mathbf{u}_f}{Dt} - \frac{d\mathbf{u}_p}{dt}\right)\f] + +**Collision force** (`collision_force = .true.`): + +Soft-sphere DEM model with Hertzian contact stiffness and viscous damping. + --- ## 7. Fluid-Structure Interaction diff --git a/docs/module_categories.json b/docs/module_categories.json index d1da0ed5ed..6d64a0e42f 100644 --- a/docs/module_categories.json +++ b/docs/module_categories.json @@ -19,6 +19,8 @@ "m_bubbles_EE", "m_bubbles_EL", "m_bubbles_EL_kernels", + "m_particles_EL", + "m_particles_EL_kernels", "m_qbmm", "m_hyperelastic", "m_hypoelastic", diff --git a/examples/3D_lagrange_shbubcollapse/case.py b/examples/3D_lagrange_shbubcollapse/case.py index 73e0b88f69..d78095b587 100644 --- a/examples/3D_lagrange_shbubcollapse/case.py +++ b/examples/3D_lagrange_shbubcollapse/case.py @@ -155,6 +155,7 @@ "lag_params%valmaxvoid": 0.9, "lag_params%write_bubbles": "F", "lag_params%write_bubbles_stats": "F", + "lag_params%write_void_evol": "T", # Bubble parameters "bub_pp%R0ref": 1.0, "bub_pp%p0ref": 1.0, diff --git a/src/common/m_boundary_common.fpp b/src/common/m_boundary_common.fpp index 918b0daea5..c3687cafde 100644 --- a/src/common/m_boundary_common.fpp +++ b/src/common/m_boundary_common.fpp @@ -20,13 +20,16 @@ module m_boundary_common type(scalar_field), dimension(:,:), allocatable :: bc_buffers $:GPU_DECLARE(create='[bc_buffers]') + type(int_bounds_info), dimension(3) :: beta_bc_bounds + $:GPU_DECLARE(create='[beta_bc_bounds]') + #ifdef MFC_MPI integer, dimension(1:3,1:2) :: MPI_BC_TYPE_TYPE integer, dimension(1:3,1:2) :: MPI_BC_BUFFER_TYPE #endif - private; public :: s_initialize_boundary_common_module, s_populate_variables_buffers, s_create_mpi_types, & - & s_populate_capillary_buffers, s_populate_F_igr_buffers, s_write_serial_boundary_condition_files, & + private; public :: s_initialize_boundary_common_module, s_populate_variables_buffers, s_populate_beta_buffers, & + & s_create_mpi_types, s_populate_capillary_buffers, s_populate_F_igr_buffers, s_write_serial_boundary_condition_files, & & s_write_parallel_boundary_condition_files, s_read_serial_boundary_condition_files, & & s_read_parallel_boundary_condition_files, s_assign_default_bc_type, s_populate_grid_variables_buffers, & & s_finalize_boundary_common_module @@ -39,7 +42,7 @@ module m_boundary_common contains - !> Allocate and set up boundary condition buffer arrays for all coordinate directions. + !> @brief Allocates and sets up boundary condition buffer arrays for all coordinate directions. impure subroutine s_initialize_boundary_common_module() integer :: i, j @@ -68,9 +71,26 @@ contains end do end if + if (bubbles_lagrange .or. particles_lagrange) then + beta_bc_bounds(1)%beg = -mapcells - 1 + beta_bc_bounds(1)%end = m + mapcells + 1 + ! n > 0 always for bubbles_lagrange + beta_bc_bounds(2)%beg = -mapcells - 1 + beta_bc_bounds(2)%end = n + mapcells + 1 + if (p == 0) then + beta_bc_bounds(3)%beg = 0 + beta_bc_bounds(3)%end = 0 + else + beta_bc_bounds(3)%beg = -mapcells - 1 + beta_bc_bounds(3)%end = p + mapcells + 1 + end if + end if + $:GPU_UPDATE(device='[beta_bc_bounds]') + end subroutine s_initialize_boundary_common_module - !> Populate the buffers of the primitive variables based on the selected boundary conditions. + !> The purpose of this procedure is to populate the buffers of the primitive variables, depending on the selected boundary + !! conditions. impure subroutine s_populate_variables_buffers(bc_type, q_prim_vf, pb_in, mv_in) type(scalar_field), dimension(sys_size), intent(inout) :: q_prim_vf @@ -78,7 +98,7 @@ contains type(integer_field), dimension(1:num_dims,1:2), intent(in) :: bc_type integer :: k, l - ! BC type codes defined in m_constants.fpp; non-negative values are MPI boundaries + ! Population of Buffers in x-direction if (bc_x%beg >= 0) then call s_mpi_sendrecv_variables_buffers(q_prim_vf, 1, -1, sys_size, pb_in, mv_in) @@ -241,7 +261,7 @@ contains if (bc_z%end >= 0) then call s_mpi_sendrecv_variables_buffers(q_prim_vf, 3, 1, sys_size, pb_in, mv_in) - else + else !< bc_x%end $:GPU_PARALLEL_LOOP(private='[l, k]', collapse=2) do l = -buff_size, n + buff_size do k = -buff_size, m + buff_size @@ -268,10 +288,11 @@ contains $:END_GPU_PARALLEL_LOOP() end if #:endif + ! END: Population of Buffers in z-direction end subroutine s_populate_variables_buffers - !> Fill ghost cells by copying the nearest boundary cell value along the specified direction. + !> @brief Fills ghost cells by copying the nearest boundary cell value along the specified direction. subroutine s_ghost_cell_extrapolation(q_prim_vf, bc_dir, bc_loc, k, l) $:GPU_ROUTINE(function_name='s_ghost_cell_extrapolation', parallelism='[seq]', cray_inline=True) @@ -287,7 +308,7 @@ contains q_prim_vf(i)%sf(-j, k, l) = q_prim_vf(i)%sf(0, k, l) end do end do - else !< bc_x%end + else !< bc_y%end do i = 1, sys_size do j = 1, buff_size q_prim_vf(i)%sf(m + j, k, l) = q_prim_vf(i)%sf(m, k, l) @@ -301,7 +322,7 @@ contains q_prim_vf(i)%sf(k, -j, l) = q_prim_vf(i)%sf(k, 0, l) end do end do - else !< bc_y%end + else !< bc_z%end do i = 1, sys_size do j = 1, buff_size q_prim_vf(i)%sf(k, n + j, l) = q_prim_vf(i)%sf(k, n, l) @@ -315,7 +336,7 @@ contains q_prim_vf(i)%sf(k, l, -j) = q_prim_vf(i)%sf(k, l, 0) end do end do - else !< bc_z%end + else !< bc_x%end do i = 1, sys_size do j = 1, buff_size q_prim_vf(i)%sf(k, l, p + j) = q_prim_vf(i)%sf(k, l, p) @@ -326,7 +347,8 @@ contains end subroutine s_ghost_cell_extrapolation - !> Apply reflective (symmetry) boundary conditions by mirroring primitive variables and flipping the normal velocity component. + !> @brief Applies reflective (symmetry) boundary conditions by mirroring primitive variables and flipping the normal velocity + !! component. subroutine s_symmetry(q_prim_vf, bc_dir, bc_loc, k, l, pb_in, mv_in) $:GPU_ROUTINE(parallelism='[seq]') @@ -371,7 +393,7 @@ contains end do end do end if - else !< bc_x%end + else !< bc_y%end do j = 1, buff_size do i = 1, contxe q_prim_vf(i)%sf(m + j, k, l) = q_prim_vf(i)%sf(m - (j - 1), k, l) @@ -440,7 +462,7 @@ contains end do end do end if - else !< bc_y%end + else !< bc_z%end do j = 1, buff_size do i = 1, momxb q_prim_vf(i)%sf(k, n + j, l) = q_prim_vf(i)%sf(k, n - (j - 1), l) @@ -510,7 +532,7 @@ contains end do end do end if - else !< bc_z%end + else !< bc_x%end do j = 1, buff_size do i = 1, momxb + 1 q_prim_vf(i)%sf(k, l, p + j) = q_prim_vf(i)%sf(k, l, p - (j - 1)) @@ -549,7 +571,7 @@ contains end subroutine s_symmetry - !> Apply periodic boundary conditions by copying values from the opposite domain boundary. + !> @brief Applies periodic boundary conditions by copying values from the opposite domain boundary. subroutine s_periodic(q_prim_vf, bc_dir, bc_loc, k, l, pb_in, mv_in) $:GPU_ROUTINE(parallelism='[seq]') @@ -577,7 +599,7 @@ contains end do end do end if - else !< bc_x%end + else !< bc_y%end do i = 1, sys_size do j = 1, buff_size q_prim_vf(i)%sf(m + j, k, l) = q_prim_vf(i)%sf(j - 1, k, l) @@ -613,7 +635,7 @@ contains end do end do end if - else !< bc_y%end + else !< bc_z%end do i = 1, sys_size do j = 1, buff_size q_prim_vf(i)%sf(k, n + j, l) = q_prim_vf(i)%sf(k, j - 1, l) @@ -649,7 +671,7 @@ contains end do end do end if - else !< bc_z%end + else do i = 1, sys_size do j = 1, buff_size q_prim_vf(i)%sf(k, l, p + j) = q_prim_vf(i)%sf(k, l, j - 1) @@ -671,7 +693,8 @@ contains end subroutine s_periodic - !> Apply axis boundary conditions for cylindrical coordinates by reflecting values across the axis with azimuthal phase shift. + !> @brief Applies axis boundary conditions for cylindrical coordinates by reflecting values across the axis with azimuthal phase + !! shift. subroutine s_axis(q_prim_vf, pb_in, mv_in, k, l) $:GPU_ROUTINE(parallelism='[seq]') @@ -721,7 +744,7 @@ contains end subroutine s_axis - !> Apply slip wall boundary conditions by extrapolating scalars and reflecting the wall-normal velocity component. + !> @brief Applies slip wall boundary conditions by extrapolating scalars and reflecting the wall-normal velocity component. subroutine s_slip_wall(q_prim_vf, bc_dir, bc_loc, k, l) $:GPU_ROUTINE(function_name='s_slip_wall',parallelism='[seq]', cray_inline=True) @@ -736,12 +759,12 @@ contains do j = 1, buff_size if (i == momxb) then q_prim_vf(i)%sf(-j, k, l) = -q_prim_vf(i)%sf(j - 1, k, l) + 2._wp*bc_x%vb1 - else + else !< bc_x%end q_prim_vf(i)%sf(-j, k, l) = q_prim_vf(i)%sf(0, k, l) end if end do end do - else !< bc_x%end + else do i = 1, sys_size do j = 1, buff_size if (i == momxb) then @@ -758,12 +781,12 @@ contains do j = 1, buff_size if (i == momxb + 1) then q_prim_vf(i)%sf(k, -j, l) = -q_prim_vf(i)%sf(k, j - 1, l) + 2._wp*bc_y%vb2 - else + else !< bc_y%end q_prim_vf(i)%sf(k, -j, l) = q_prim_vf(i)%sf(k, 0, l) end if end do end do - else !< bc_y%end + else do i = 1, sys_size do j = 1, buff_size if (i == momxb + 1) then @@ -780,12 +803,12 @@ contains do j = 1, buff_size if (i == momxe) then q_prim_vf(i)%sf(k, l, -j) = -q_prim_vf(i)%sf(k, l, j - 1) + 2._wp*bc_z%vb3 - else + else !< bc_z%end q_prim_vf(i)%sf(k, l, -j) = q_prim_vf(i)%sf(k, l, 0) end if end do end do - else !< bc_z%end + else do i = 1, sys_size do j = 1, buff_size if (i == momxe) then @@ -800,7 +823,7 @@ contains end subroutine s_slip_wall - !> Apply no-slip wall boundary conditions by reflecting and negating all velocity components at the wall. + !> @brief Applies no-slip wall boundary conditions by reflecting and negating all velocity components at the wall. subroutine s_no_slip_wall(q_prim_vf, bc_dir, bc_loc, k, l) $:GPU_ROUTINE(function_name='s_no_slip_wall',parallelism='[seq]', cray_inline=True) @@ -820,12 +843,12 @@ contains q_prim_vf(i)%sf(-j, k, l) = -q_prim_vf(i)%sf(j - 1, k, l) + 2._wp*bc_x%vb2 else if (i == momxb + 2 .and. num_dims > 2) then q_prim_vf(i)%sf(-j, k, l) = -q_prim_vf(i)%sf(j - 1, k, l) + 2._wp*bc_x%vb3 - else + else !< bc_x%end q_prim_vf(i)%sf(-j, k, l) = q_prim_vf(i)%sf(0, k, l) end if end do end do - else !< bc_x%end + else do i = 1, sys_size do j = 1, buff_size if (i == momxb) then @@ -850,12 +873,12 @@ contains q_prim_vf(i)%sf(k, -j, l) = -q_prim_vf(i)%sf(k, j - 1, l) + 2._wp*bc_y%vb2 else if (i == momxb + 2 .and. num_dims > 2) then q_prim_vf(i)%sf(k, -j, l) = -q_prim_vf(i)%sf(k, j - 1, l) + 2._wp*bc_y%vb3 - else + else !< bc_y%end q_prim_vf(i)%sf(k, -j, l) = q_prim_vf(i)%sf(k, 0, l) end if end do end do - else !< bc_y%end + else do i = 1, sys_size do j = 1, buff_size if (i == momxb) then @@ -880,12 +903,12 @@ contains q_prim_vf(i)%sf(k, l, -j) = -q_prim_vf(i)%sf(k, l, j - 1) + 2._wp*bc_z%vb2 else if (i == momxb + 2 .and. num_dims > 2) then q_prim_vf(i)%sf(k, l, -j) = -q_prim_vf(i)%sf(k, l, j - 1) + 2._wp*bc_z%vb3 - else + else !< bc_z%end q_prim_vf(i)%sf(k, l, -j) = q_prim_vf(i)%sf(k, l, 0) end if end do end do - else !< bc_z%end + else do i = 1, sys_size do j = 1, buff_size if (i == momxb) then @@ -894,7 +917,7 @@ contains q_prim_vf(i)%sf(k, l, p + j) = -q_prim_vf(i)%sf(k, l, p - (j - 1)) + 2._wp*bc_z%ve2 else if (i == momxb + 2 .and. num_dims > 2) then q_prim_vf(i)%sf(k, l, p + j) = -q_prim_vf(i)%sf(k, l, p - (j - 1)) + 2._wp*bc_z%ve3 - else + else !< bc_x%end q_prim_vf(i)%sf(k, l, p + j) = q_prim_vf(i)%sf(k, l, p) end if end do @@ -904,7 +927,7 @@ contains end subroutine s_no_slip_wall - !> Apply Dirichlet boundary conditions by prescribing ghost cell values from stored boundary buffers. + !> @brief Applies Dirichlet boundary conditions by prescribing ghost cell values from stored boundary buffers. subroutine s_dirichlet(q_prim_vf, bc_dir, bc_loc, k, l) $:GPU_ROUTINE(function_name='s_dirichlet',parallelism='[seq]', cray_inline=True) @@ -921,7 +944,7 @@ contains q_prim_vf(i)%sf(-j, k, l) = bc_buffers(1, 1)%sf(i, k, l) end do end do - else !< bc_x%end + else !< bc_y%end do i = 1, sys_size do j = 1, buff_size q_prim_vf(i)%sf(m + j, k, l) = bc_buffers(1, 2)%sf(i, k, l) @@ -936,7 +959,7 @@ contains q_prim_vf(i)%sf(k, -j, l) = bc_buffers(2, 1)%sf(k, i, l) end do end do - else !< bc_y%end + else !< bc_z%end do i = 1, sys_size do j = 1, buff_size q_prim_vf(i)%sf(k, n + j, l) = bc_buffers(2, 2)%sf(k, i, l) @@ -952,7 +975,7 @@ contains q_prim_vf(i)%sf(k, l, -j) = bc_buffers(3, 1)%sf(k, l, i) end do end do - else !< bc_z%end + else !< bc_x%end do i = 1, sys_size do j = 1, buff_size q_prim_vf(i)%sf(k, l, p + j) = bc_buffers(3, 2)%sf(k, l, i) @@ -967,7 +990,7 @@ contains end subroutine s_dirichlet - !> Extrapolate QBMM bubble pressure and mass-vapor variables into ghost cells by copying boundary values. + !> @brief Extrapolates QBMM bubble pressure and mass-vapor variables into ghost cells by copying boundary values. subroutine s_qbmm_extrapolation(bc_dir, bc_loc, k, l, pb_in, mv_in) $:GPU_ROUTINE(parallelism='[seq]') @@ -986,7 +1009,7 @@ contains end do end do end do - else !< bc_x%end + else !< bc_y%end do i = 1, nb do q = 1, nnode do j = 1, buff_size @@ -1006,7 +1029,7 @@ contains end do end do end do - else !< bc_y%end + else !< bc_z%end do i = 1, nb do q = 1, nnode do j = 1, buff_size @@ -1026,7 +1049,7 @@ contains end do end do end do - else !< bc_z%end + else do i = 1, nb do q = 1, nnode do j = 1, buff_size @@ -1040,7 +1063,385 @@ contains end subroutine s_qbmm_extrapolation - !> Populate ghost cell buffers for the color function and its divergence used in capillary surface tension. + impure subroutine s_populate_beta_buffers(q_beta, kahan_comp, bc_type, nvar, vars_comm) + + type(scalar_field), dimension(:), intent(inout) :: q_beta + type(scalar_field), dimension(:), intent(inout) :: kahan_comp + type(integer_field), dimension(1:num_dims,1:2), intent(in) :: bc_type + integer, intent(in) :: nvar + integer, dimension(:), intent(in) :: vars_comm + integer :: k, l + + !> x-direction + + if (bc_x%beg < 0) then + $:GPU_PARALLEL_LOOP(private='[l, k]', collapse=2) + do l = beta_bc_bounds(3)%beg, beta_bc_bounds(3)%end + do k = beta_bc_bounds(2)%beg, beta_bc_bounds(2)%end + select case (bc_x%beg) + case (BC_PERIODIC) + call s_beta_periodic(q_beta, kahan_comp, 1, -1, k, l, nvar, vars_comm) + case (BC_REFLECTIVE) + call s_beta_reflective(q_beta, kahan_comp, 1, -1, k, l, nvar, vars_comm) + case default + end select + end do + end do + $:END_GPU_PARALLEL_LOOP() + end if + if (bc_x%beg >= 0 .or. bc_x%end >= 0) then + call s_mpi_reduce_beta_variables_buffers(q_beta, kahan_comp, 1, -1, nvar, vars_comm) + end if + + if (bc_x%end < 0) then + $:GPU_PARALLEL_LOOP(private='[l, k]', collapse=2) + do l = beta_bc_bounds(3)%beg, beta_bc_bounds(3)%end + do k = beta_bc_bounds(2)%beg, beta_bc_bounds(2)%end + select case (bc_x%end) + case (BC_PERIODIC) + call s_beta_periodic(q_beta, kahan_comp, 1, 1, k, l, nvar, vars_comm) + case (BC_REFLECTIVE) + call s_beta_reflective(q_beta, kahan_comp, 1, 1, k, l, nvar, vars_comm) + case default + end select + end do + end do + $:END_GPU_PARALLEL_LOOP() + end if + if (bc_x%beg >= 0 .or. bc_x%end >= 0) then + call s_mpi_reduce_beta_variables_buffers(q_beta, kahan_comp, 1, 1, nvar, vars_comm) + end if + + !> y-direction + if (bc_y%beg < 0) then + $:GPU_PARALLEL_LOOP(private='[l, k]', collapse=2) + do l = beta_bc_bounds(3)%beg, beta_bc_bounds(3)%end + do k = beta_bc_bounds(1)%beg, beta_bc_bounds(1)%end + select case (bc_y%beg) + case (BC_PERIODIC) + call s_beta_periodic(q_beta, kahan_comp, 2, -1, k, l, nvar, vars_comm) + case (BC_REFLECTIVE) + call s_beta_reflective(q_beta, kahan_comp, 2, -1, k, l, nvar, vars_comm) + case default + end select + end do + end do + $:END_GPU_PARALLEL_LOOP() + end if + if (bc_y%beg >= 0 .or. bc_y%end >= 0) then + call s_mpi_reduce_beta_variables_buffers(q_beta, kahan_comp, 2, -1, nvar, vars_comm) + end if + + if (bc_y%end < 0) then + $:GPU_PARALLEL_LOOP(private='[l, k]', collapse=2) + do l = beta_bc_bounds(3)%beg, beta_bc_bounds(3)%end + do k = beta_bc_bounds(1)%beg, beta_bc_bounds(1)%end + select case (bc_y%end) + case (BC_PERIODIC) + call s_beta_periodic(q_beta, kahan_comp, 2, 1, k, l, nvar, vars_comm) + case (BC_REFLECTIVE) + call s_beta_reflective(q_beta, kahan_comp, 2, 1, k, l, nvar, vars_comm) + case default + end select + end do + end do + $:END_GPU_PARALLEL_LOOP() + end if + if (bc_y%beg >= 0 .or. bc_y%end >= 0) then + call s_mpi_reduce_beta_variables_buffers(q_beta, kahan_comp, 2, 1, nvar, vars_comm) + end if + + if (num_dims == 2) return + + #:if not MFC_CASE_OPTIMIZATION or num_dims > 2 + !> z-direction + if (bc_z%beg < 0) then + $:GPU_PARALLEL_LOOP(private='[l, k]', collapse=2) + do l = beta_bc_bounds(2)%beg, beta_bc_bounds(2)%end + do k = beta_bc_bounds(1)%beg, beta_bc_bounds(1)%end + select case (bc_type(3, 1)%sf(k, l, 0)) + case (BC_PERIODIC) + call s_beta_periodic(q_beta, kahan_comp, 3, -1, k, l, nvar, vars_comm) + case (BC_REFLECTIVE) + call s_beta_reflective(q_beta, kahan_comp, 3, -1, k, l, nvar, vars_comm) + case default + end select + end do + end do + $:END_GPU_PARALLEL_LOOP() + end if + if (bc_z%beg >= 0 .or. bc_z%end >= 0) then + call s_mpi_reduce_beta_variables_buffers(q_beta, kahan_comp, 3, -1, nvar, vars_comm) + end if + + if (bc_z%end < 0) then + $:GPU_PARALLEL_LOOP(private='[l, k]', collapse=2) + do l = beta_bc_bounds(2)%beg, beta_bc_bounds(2)%end + do k = beta_bc_bounds(1)%beg, beta_bc_bounds(1)%end + select case (bc_type(3, 2)%sf(k, l, 0)) + case (BC_PERIODIC) + call s_beta_periodic(q_beta, kahan_comp, 3, 1, k, l, nvar, vars_comm) + case (BC_REFLECTIVE) + call s_beta_reflective(q_beta, kahan_comp, 3, 1, k, l, nvar, vars_comm) + case default + end select + end do + end do + $:END_GPU_PARALLEL_LOOP() + end if + if (bc_z%beg >= 0 .or. bc_z%end >= 0) then + call s_mpi_reduce_beta_variables_buffers(q_beta, kahan_comp, 3, 1, nvar, vars_comm) + end if + #:endif + + end subroutine s_populate_beta_buffers + + subroutine s_beta_periodic(q_beta, kahan_comp, bc_dir, bc_loc, k, l, nvar, vars_comm) + + $:GPU_ROUTINE(function_name='s_beta_periodic', parallelism='[seq]', cray_inline=True) + type(scalar_field), dimension(1:), intent(inout) :: q_beta + type(scalar_field), dimension(1:), intent(inout) :: kahan_comp + integer, intent(in) :: bc_dir, bc_loc + integer, intent(in) :: k, l + integer, intent(in) :: nvar + integer, dimension(:), intent(in) :: vars_comm + integer :: j, i + real(wp) :: y_kahan, t_kahan + + if (bc_dir == 1) then !< x-direction + if (bc_loc == -1) then ! bc_x%beg + do i = 1, nvar + do j = -mapCells - 1, mapCells + ! Kahan-compensated addition of ghost to interior + y_kahan = real(q_beta(vars_comm(i))%sf(m + j + 1, k, l), & + & kind=wp) + kahan_comp(vars_comm(i))%sf(m + j + 1, k, l) - kahan_comp(vars_comm(i))%sf(j, & + & k, l) + t_kahan = real(q_beta(vars_comm(i))%sf(j, k, l), kind=wp) + y_kahan + kahan_comp(vars_comm(i))%sf(j, k, l) = (t_kahan - q_beta(vars_comm(i))%sf(j, k, l)) - y_kahan + q_beta(vars_comm(i))%sf(j, k, l) = t_kahan + end do + end do + else !< bc_x%end + do i = 1, nvar + do j = -mapcells, mapcells + 1 + q_beta(vars_comm(i))%sf(m + j, k, l) = q_beta(vars_comm(i))%sf(j - 1, k, l) + kahan_comp(vars_comm(i))%sf(m + j, k, l) = kahan_comp(vars_comm(i))%sf(j - 1, k, l) + end do + end do + end if + else if (bc_dir == 2) then !< y-direction + if (bc_loc == -1) then !< bc_y%beg + do i = 1, nvar + do j = -mapcells - 1, mapcells + y_kahan = real(q_beta(vars_comm(i))%sf(k, n + j + 1, l), kind=wp) + kahan_comp(vars_comm(i))%sf(k, & + & n + j + 1, l) - kahan_comp(vars_comm(i))%sf(k, j, l) + t_kahan = real(q_beta(vars_comm(i))%sf(k, j, l), kind=wp) + y_kahan + kahan_comp(vars_comm(i))%sf(k, j, l) = (t_kahan - q_beta(vars_comm(i))%sf(k, j, l)) - y_kahan + q_beta(vars_comm(i))%sf(k, j, l) = t_kahan + end do + end do + else !< bc_y%end + do i = 1, nvar + do j = -mapcells, mapcells + 1 + q_beta(vars_comm(i))%sf(k, n + j, l) = q_beta(vars_comm(i))%sf(k, j - 1, l) + kahan_comp(vars_comm(i))%sf(k, n + j, l) = kahan_comp(vars_comm(i))%sf(k, j - 1, l) + end do + end do + end if + else if (bc_dir == 3) then !< z-direction + if (bc_loc == -1) then !< bc_z%beg + do i = 1, nvar + do j = -mapcells - 1, mapcells + y_kahan = real(q_beta(vars_comm(i))%sf(k, l, p + j + 1), kind=wp) + kahan_comp(vars_comm(i))%sf(k, l, & + & p + j + 1) - kahan_comp(vars_comm(i))%sf(k, l, j) + t_kahan = real(q_beta(vars_comm(i))%sf(k, l, j), kind=wp) + y_kahan + kahan_comp(vars_comm(i))%sf(k, l, j) = (t_kahan - q_beta(vars_comm(i))%sf(k, l, j)) - y_kahan + q_beta(vars_comm(i))%sf(k, l, j) = t_kahan + end do + end do + else !< bc_z%end + do i = 1, nvar + do j = -mapcells, mapcells + 1 + q_beta(vars_comm(i))%sf(k, l, p + j) = q_beta(vars_comm(i))%sf(k, l, j - 1) + kahan_comp(vars_comm(i))%sf(k, l, p + j) = kahan_comp(vars_comm(i))%sf(k, l, j - 1) + end do + end do + end if + end if + + end subroutine s_beta_periodic + + subroutine s_beta_extrapolation(q_beta, bc_dir, bc_loc, k, l, nvar, vars_comm) + + $:GPU_ROUTINE(function_name='s_beta_extrapolation', parallelism='[seq]', cray_inline=True) + type(scalar_field), dimension(1:), intent(inout) :: q_beta + integer, intent(in) :: bc_dir, bc_loc + integer, intent(in) :: k, l + integer, intent(in) :: nvar + integer, dimension(:), intent(in) :: vars_comm + integer :: j, i + + ! Set beta in buffer regions equal to zero + + if (bc_dir == 1) then !< x-direction + if (bc_loc == -1) then ! bc_x%beg + do i = 1, nvar + do j = 1, buff_size + q_beta(vars_comm(i))%sf(-j, k, l) = 0._wp + end do + end do + else !< bc_x%end + do i = 1, nvar + do j = 1, buff_size + q_beta(vars_comm(i))%sf(m + j, k, l) = 0._wp + end do + end do + end if + else if (bc_dir == 2) then !< y-direction + if (bc_loc == -1) then !< bc_y%beg + do i = 1, nvar + do j = 1, buff_size + q_beta(vars_comm(i))%sf(k, -j, l) = 0._wp + end do + end do + else !< bc_y%end + do i = 1, nvar + do j = 1, buff_size + q_beta(vars_comm(i))%sf(k, n + j, l) = 0._wp + end do + end do + end if + else if (bc_dir == 3) then !< z-direction + if (bc_loc == -1) then !< bc_z%beg + do i = 1, nvar + do j = 1, buff_size + q_beta(vars_comm(i))%sf(k, l, -j) = 0._wp + end do + end do + else !< bc_z%end + do i = 1, nvar + do j = 1, buff_size + q_beta(vars_comm(i))%sf(k, l, p + j) = 0._wp + end do + end do + end if + end if + + end subroutine s_beta_extrapolation + + subroutine s_beta_reflective(q_beta, kahan_comp, bc_dir, bc_loc, k, l, nvar, vars_comm) + + $:GPU_ROUTINE(function_name='s_beta_reflective', parallelism='[seq]', cray_inline=True) + type(scalar_field), dimension(1:), intent(inout) :: q_beta + type(scalar_field), dimension(1:), intent(inout) :: kahan_comp + integer, intent(in) :: bc_dir, bc_loc + integer, intent(in) :: k, l + integer, intent(in) :: nvar + integer, dimension(:), intent(in) :: vars_comm + integer :: j, i + real(wp) :: y_kahan, t_kahan + + ! Reflective BC for void fraction: 1) Fold ghost-cell contributions back onto their mirror interior cells (Kahan) 2) Set + ! ghost cells = mirror of (now-folded) interior values + + if (bc_dir == 1) then !< x-direction + if (bc_loc == -1) then !< bc_x%beg + do i = 1, nvar + do j = 1, mapCells + 1 + y_kahan = real(q_beta(vars_comm(i))%sf(-j, k, l), kind=wp) + kahan_comp(vars_comm(i))%sf(-j, k, & + & l) - kahan_comp(vars_comm(i))%sf(j - 1, k, l) + t_kahan = real(q_beta(vars_comm(i))%sf(j - 1, k, l), kind=wp) + y_kahan + kahan_comp(vars_comm(i))%sf(j - 1, k, l) = (t_kahan - q_beta(vars_comm(i))%sf(j - 1, k, l)) - y_kahan + q_beta(vars_comm(i))%sf(j - 1, k, l) = t_kahan + end do + do j = 1, mapCells + 1 + q_beta(vars_comm(i))%sf(-j, k, l) = q_beta(vars_comm(i))%sf(j - 1, k, l) + kahan_comp(vars_comm(i))%sf(-j, k, l) = kahan_comp(vars_comm(i))%sf(j - 1, k, l) + end do + end do + else !< bc_x%end + do i = 1, nvar + do j = 1, mapCells + 1 + y_kahan = real(q_beta(vars_comm(i))%sf(m + j, k, l), kind=wp) + kahan_comp(vars_comm(i))%sf(m + j, k, & + & l) - kahan_comp(vars_comm(i))%sf(m - (j - 1), k, l) + t_kahan = real(q_beta(vars_comm(i))%sf(m - (j - 1), k, l), kind=wp) + y_kahan + kahan_comp(vars_comm(i))%sf(m - (j - 1), k, l) = (t_kahan - q_beta(vars_comm(i))%sf(m - (j - 1), k, & + & l)) - y_kahan + q_beta(vars_comm(i))%sf(m - (j - 1), k, l) = t_kahan + end do + do j = 1, mapCells + 1 + q_beta(vars_comm(i))%sf(m + j, k, l) = q_beta(vars_comm(i))%sf(m - (j - 1), k, l) + kahan_comp(vars_comm(i))%sf(m + j, k, l) = kahan_comp(vars_comm(i))%sf(m - (j - 1), k, l) + end do + end do + end if + else if (bc_dir == 2) then !< y-direction + if (bc_loc == -1) then !< bc_y%beg + do i = 1, nvar + do j = 1, mapCells + 1 + y_kahan = real(q_beta(vars_comm(i))%sf(k, -j, l), kind=wp) + kahan_comp(vars_comm(i))%sf(k, -j, & + & l) - kahan_comp(vars_comm(i))%sf(k, j - 1, l) + t_kahan = real(q_beta(vars_comm(i))%sf(k, j - 1, l), kind=wp) + y_kahan + kahan_comp(vars_comm(i))%sf(k, j - 1, l) = (t_kahan - q_beta(vars_comm(i))%sf(k, j - 1, l)) - y_kahan + q_beta(vars_comm(i))%sf(k, j - 1, l) = t_kahan + end do + do j = 1, mapCells + 1 + q_beta(vars_comm(i))%sf(k, -j, l) = q_beta(vars_comm(i))%sf(k, j - 1, l) + kahan_comp(vars_comm(i))%sf(k, -j, l) = kahan_comp(vars_comm(i))%sf(k, j - 1, l) + end do + end do + else !< bc_y%end + do i = 1, nvar + do j = 1, mapCells + 1 + y_kahan = real(q_beta(vars_comm(i))%sf(k, n + j, l), kind=wp) + kahan_comp(vars_comm(i))%sf(k, n + j, & + & l) - kahan_comp(vars_comm(i))%sf(k, n - (j - 1), l) + t_kahan = real(q_beta(vars_comm(i))%sf(k, n - (j - 1), l), kind=wp) + y_kahan + kahan_comp(vars_comm(i))%sf(k, n - (j - 1), l) = (t_kahan - q_beta(vars_comm(i))%sf(k, n - (j - 1), & + & l)) - y_kahan + q_beta(vars_comm(i))%sf(k, n - (j - 1), l) = t_kahan + end do + do j = 1, mapCells + 1 + q_beta(vars_comm(i))%sf(k, n + j, l) = q_beta(vars_comm(i))%sf(k, n - (j - 1), l) + kahan_comp(vars_comm(i))%sf(k, n + j, l) = kahan_comp(vars_comm(i))%sf(k, n - (j - 1), l) + end do + end do + end if + else if (bc_dir == 3) then !< z-direction + if (bc_loc == -1) then !< bc_z%beg + do i = 1, nvar + do j = 1, mapCells + 1 + y_kahan = real(q_beta(vars_comm(i))%sf(k, l, -j), kind=wp) + kahan_comp(vars_comm(i))%sf(k, l, & + & -j) - kahan_comp(vars_comm(i))%sf(k, l, j - 1) + t_kahan = real(q_beta(vars_comm(i))%sf(k, l, j - 1), kind=wp) + y_kahan + kahan_comp(vars_comm(i))%sf(k, l, j - 1) = (t_kahan - q_beta(vars_comm(i))%sf(k, l, j - 1)) - y_kahan + q_beta(vars_comm(i))%sf(k, l, j - 1) = t_kahan + end do + do j = 1, mapCells + 1 + q_beta(vars_comm(i))%sf(k, l, -j) = q_beta(vars_comm(i))%sf(k, l, j - 1) + kahan_comp(vars_comm(i))%sf(k, l, -j) = kahan_comp(vars_comm(i))%sf(k, l, j - 1) + end do + end do + else !< bc_z%end + do i = 1, nvar + do j = 1, mapCells + 1 + y_kahan = real(q_beta(vars_comm(i))%sf(k, l, p + j), kind=wp) + kahan_comp(vars_comm(i))%sf(k, l, & + & p + j) - kahan_comp(vars_comm(i))%sf(k, l, p - (j - 1)) + t_kahan = real(q_beta(vars_comm(i))%sf(k, l, p - (j - 1)), kind=wp) + y_kahan + kahan_comp(vars_comm(i))%sf(k, l, p - (j - 1)) = (t_kahan - q_beta(vars_comm(i))%sf(k, l, & + & p - (j - 1))) - y_kahan + q_beta(vars_comm(i))%sf(k, l, p - (j - 1)) = t_kahan + end do + do j = 1, mapCells + 1 + q_beta(vars_comm(i))%sf(k, l, p + j) = q_beta(vars_comm(i))%sf(k, l, p - (j - 1)) + kahan_comp(vars_comm(i))%sf(k, l, p + j) = kahan_comp(vars_comm(i))%sf(k, l, p - (j - 1)) + end do + end do + end if + end if + + end subroutine s_beta_reflective + + !> @brief Populates ghost cell buffers for the color function and its divergence used in capillary surface tension. impure subroutine s_populate_capillary_buffers(c_divs, bc_type) type(scalar_field), dimension(num_dims + 1), intent(inout) :: c_divs @@ -1051,7 +1452,7 @@ contains if (bc_x%beg >= 0) then call s_mpi_sendrecv_variables_buffers(c_divs, 1, -1, num_dims + 1) - else + else !< bc_z%end $:GPU_PARALLEL_LOOP(private='[l, k]', collapse=2) do l = 0, p do k = 0, n @@ -1093,7 +1494,7 @@ contains !> y-direction if (bc_y%beg >= 0) then call s_mpi_sendrecv_variables_buffers(c_divs, 2, -1, num_dims + 1) - else + else !< bc_x%end $:GPU_PARALLEL_LOOP(private='[l, k]', collapse=2) do l = 0, p do k = -buff_size, m + buff_size @@ -1112,7 +1513,7 @@ contains if (bc_y%end >= 0) then call s_mpi_sendrecv_variables_buffers(c_divs, 2, 1, num_dims + 1) - else + else !< bc_y%end $:GPU_PARALLEL_LOOP(private='[l, k]', collapse=2) do l = 0, p do k = -buff_size, m + buff_size @@ -1136,7 +1537,7 @@ contains !> z-direction if (bc_z%beg >= 0) then call s_mpi_sendrecv_variables_buffers(c_divs, 3, -1, num_dims + 1) - else + else !< bc_z%end $:GPU_PARALLEL_LOOP(private='[l, k]', collapse=2) do l = -buff_size, n + buff_size do k = -buff_size, m + buff_size @@ -1175,7 +1576,7 @@ contains end subroutine s_populate_capillary_buffers - !> Apply periodic boundary conditions to the color function and its divergence fields. + !> @brief Applies periodic boundary conditions to the color function and its divergence fields. subroutine s_color_function_periodic(c_divs, bc_dir, bc_loc, k, l) $:GPU_ROUTINE(function_name='s_color_function_periodic', parallelism='[seq]', cray_inline=True) @@ -1191,7 +1592,7 @@ contains c_divs(i)%sf(-j, k, l) = c_divs(i)%sf(m - (j - 1), k, l) end do end do - else !< bc_x%end + else do i = 1, num_dims + 1 do j = 1, buff_size c_divs(i)%sf(m + j, k, l) = c_divs(i)%sf(j - 1, k, l) @@ -1205,7 +1606,7 @@ contains c_divs(i)%sf(k, -j, l) = c_divs(i)%sf(k, n - (j - 1), l) end do end do - else !< bc_y%end + else do i = 1, num_dims + 1 do j = 1, buff_size c_divs(i)%sf(k, n + j, l) = c_divs(i)%sf(k, j - 1, l) @@ -1219,7 +1620,7 @@ contains c_divs(i)%sf(k, l, -j) = c_divs(i)%sf(k, l, p - (j - 1)) end do end do - else !< bc_z%end + else do i = 1, num_dims + 1 do j = 1, buff_size c_divs(i)%sf(k, l, p + j) = c_divs(i)%sf(k, l, j - 1) @@ -1230,7 +1631,7 @@ contains end subroutine s_color_function_periodic - !> Apply reflective boundary conditions to the color function and its divergence fields. + !> @brief Applies reflective boundary conditions to the color function and its divergence fields. subroutine s_color_function_reflective(c_divs, bc_dir, bc_loc, k, l) $:GPU_ROUTINE(function_name='s_color_function_reflective', parallelism='[seq]', cray_inline=True) @@ -1250,7 +1651,7 @@ contains end if end do end do - else !< bc_x%end + else do i = 1, num_dims + 1 do j = 1, buff_size if (i == bc_dir) then @@ -1309,7 +1710,7 @@ contains end subroutine s_color_function_reflective - !> Extrapolate the color function and its divergence into ghost cells by copying boundary values. + !> @brief Extrapolates the color function and its divergence into ghost cells by copying boundary values. subroutine s_color_function_ghost_cell_extrapolation(c_divs, bc_dir, bc_loc, k, l) $:GPU_ROUTINE(function_name='s_color_function_ghost_cell_extrapolation', parallelism='[seq]', cray_inline=True) @@ -1364,7 +1765,7 @@ contains end subroutine s_color_function_ghost_cell_extrapolation - !> Populate ghost cell buffers for the Jacobian scalar field used in the IGR elliptic solver. + !> @brief Populates ghost cell buffers for the Jacobian scalar field used in the IGR elliptic solver. impure subroutine s_populate_F_igr_buffers(bc_type, jac_sf) type(integer_field), dimension(1:num_dims,1:2), intent(in) :: bc_type @@ -1531,7 +1932,7 @@ contains end subroutine s_populate_F_igr_buffers - !> Create MPI derived datatypes for boundary condition type arrays and buffer arrays used in parallel I/O. + !> @brief Creates MPI derived datatypes for boundary condition type arrays and buffer arrays used in parallel I/O. impure subroutine s_create_mpi_types(bc_type) type(integer_field), dimension(1:num_dims,1:2), intent(in) :: bc_type @@ -1566,7 +1967,7 @@ contains end subroutine s_create_mpi_types - !> Write boundary condition type and buffer data to serial (unformatted) restart files. + !> @brief Writes boundary condition type and buffer data to serial (unformatted) restart files. subroutine s_write_serial_boundary_condition_files(q_prim_vf, bc_type, step_dirpath, old_grid_in) type(scalar_field), dimension(sys_size), intent(in) :: q_prim_vf @@ -1605,7 +2006,7 @@ contains end subroutine s_write_serial_boundary_condition_files - !> Write boundary condition type and buffer data to per-rank parallel files using MPI I/O. + !> @brief Writes boundary condition type and buffer data to per-rank parallel files using MPI I/O. subroutine s_write_parallel_boundary_condition_files(q_prim_vf, bc_type) type(scalar_field), dimension(sys_size), intent(in) :: q_prim_vf @@ -1670,7 +2071,7 @@ contains end subroutine s_write_parallel_boundary_condition_files - !> Read boundary condition type and buffer data from serial (unformatted) restart files. + !> @brief Reads boundary condition type and buffer data from serial (unformatted) restart files. subroutine s_read_serial_boundary_condition_files(step_dirpath, bc_type) character(LEN=*), intent(in) :: step_dirpath @@ -1715,7 +2116,7 @@ contains end subroutine s_read_serial_boundary_condition_files - !> Read boundary condition type and buffer data from per-rank parallel files using MPI I/O. + !> @brief Reads boundary condition type and buffer data from per-rank parallel files using MPI I/O. subroutine s_read_parallel_boundary_condition_files(bc_type) type(integer_field), dimension(1:num_dims,1:2), intent(inout) :: bc_type @@ -1780,7 +2181,7 @@ contains end subroutine s_read_parallel_boundary_condition_files - !> Pack primitive variable boundary slices into bc_buffers arrays for serialization. + !> @brief Packs primitive variable boundary slices into bc_buffers arrays for serialization. subroutine s_pack_boundary_condition_buffers(q_prim_vf) type(scalar_field), dimension(sys_size), intent(in) :: q_prim_vf @@ -1823,7 +2224,7 @@ contains end subroutine s_pack_boundary_condition_buffers - !> Initialize the per-cell boundary condition type arrays with the global default BC values. + !> @brief Initializes the per-cell boundary condition type arrays with the global default BC values. subroutine s_assign_default_bc_type(bc_type) type(integer_field), dimension(1:num_dims,1:2), intent(in) :: bc_type @@ -1849,8 +2250,8 @@ contains end subroutine s_assign_default_bc_type - !> Populate the buffers of the grid variables, which are constituted of the cell-boundary locations and cell-width - !! distributions, based on the boundary conditions. + !> The purpose of this subroutine is to populate the buffers of the grid variables, which are constituted of the cell- boundary + !! locations and cell-width distributions, based on the boundary conditions. subroutine s_populate_grid_variables_buffers integer :: i @@ -1858,10 +2259,33 @@ contains #ifdef MFC_SIMULATION ! Required for compatibility between codes type(int_bounds_info) :: offset_x, offset_y, offset_z - offset_x%beg = buff_size; offset_x%end = buff_size offset_y%beg = buff_size; offset_y%end = buff_size offset_z%beg = buff_size; offset_z%end = buff_size + +#ifdef MFC_MPI + ! Populate global domain boundaries with stretched grids + call s_mpi_allreduce_min(x_cb(-1), glb_bounds(1)%beg) + call s_mpi_allreduce_max(x_cb(m), glb_bounds(1)%end) + + if (n > 0) then + call s_mpi_allreduce_min(y_cb(-1), glb_bounds(2)%beg) + call s_mpi_allreduce_max(y_cb(n), glb_bounds(2)%end) + if (p > 0) then + call s_mpi_allreduce_min(z_cb(-1), glb_bounds(3)%beg) + call s_mpi_allreduce_max(z_cb(p), glb_bounds(3)%end) + end if + end if +#else + glb_bounds(1)%beg = x_cb(-1); glb_bounds(1)%end = x_cb(m) + if (n > 0) then + glb_bounds(2)%beg = y_cb(-1); glb_bounds(2)%end = y_cb(n) + if (p > 0) then + glb_bounds(3)%beg = z_cb(-1); glb_bounds(3)%end = z_cb(p) + end if + end if +#endif + $:GPU_UPDATE(device='[glb_bounds]') #endif #ifndef MFC_PRE_PROCESS @@ -1918,6 +2342,7 @@ contains do i = 1, buff_size x_cc(m + i) = x_cc(m + (i - 1)) + (dx(m + (i - 1)) + dx(m + i))/2._wp end do + ! END: Population of Buffers in x-direction ! Population of Buffers in y-direction @@ -1974,6 +2399,7 @@ contains do i = 1, buff_size y_cc(n + i) = y_cc(n + (i - 1)) + (dy(n + (i - 1)) + dy(n + i))/2._wp end do + ! END: Population of Buffers in y-direction ! Population of Buffers in z-direction @@ -2030,11 +2456,12 @@ contains do i = 1, buff_size z_cc(p + i) = z_cc(p + (i - 1)) + (dz(p + (i - 1)) + dz(p + i))/2._wp end do + ! END: Population of Buffers in z-direction #endif end subroutine s_populate_grid_variables_buffers - !> Deallocate boundary condition buffer arrays allocated during module initialization. + !> @brief Deallocates boundary condition buffer arrays allocated during module initialization. subroutine s_finalize_boundary_common_module() if (bc_io) then diff --git a/src/common/m_derived_types.fpp b/src/common/m_derived_types.fpp index 0c00de90d7..506c914e6a 100644 --- a/src/common/m_derived_types.fpp +++ b/src/common/m_derived_types.fpp @@ -309,6 +309,16 @@ module m_derived_types real(wp) :: R_g !< gas constant of gas (bubble) end type subgrid_bubble_physical_parameters + !> Physical parameters for Lagrangian solid particles + type subgrid_particle_physical_parameters + real(wp) :: rho0ref_particle !< Reference particle density + real(wp) :: cp_particle !< Specific heat capacity of particle + real(wp) :: ksp_col !< number of timesteps over which collision occurs + real(wp) :: nu_col !< Poisson's ratio of particle for collision + real(wp) :: E_col !< Young's modulus of particle for collision + real(wp) :: cor_col !< coefficient of restituion for collision + end type subgrid_particle_physical_parameters + type mpi_io_airfoil_ib_var integer, dimension(2) :: view type(vec3_dt), allocatable, dimension(:) :: var @@ -396,18 +406,33 @@ module m_derived_types !> Lagrangian bubble parameters type bubbles_lagrange_parameters - integer :: solver_approach !< 1: One-way coupling, 2: two-way coupling - integer :: cluster_type !< Cluster model to find p_inf - logical :: pressure_corrector !< Cell pressure correction term - integer :: smooth_type !< Smoothing function. 1: Gaussian, 2:Delta 3x3 - logical :: heatTransfer_model !< Activate HEAT transfer model at the bubble-liquid interface - logical :: massTransfer_model !< Activate MASS transfer model at the bubble-liquid interface - logical :: write_bubbles !< Write files to track the bubble evolution each time step - logical :: write_bubbles_stats !< Write the maximum and minimum radius of each bubble - integer :: nBubs_glb !< Global number of bubbles - real(wp) :: epsilonb !< Standard deviation scaling for the gaussian function - real(wp) :: charwidth !< Domain virtual depth (z direction, for 2D simulations) - real(wp) :: valmaxvoid !< Maximum void fraction permitted + integer :: solver_approach !< 1: One-way coupling, 2: two-way coupling + integer :: cluster_type !< Cluster model to find p_inf + logical :: pressure_corrector !< Cell pressure correction term + integer :: smooth_type !< Smoothing function. 1: Gaussian, 2:Delta 3x3 + logical :: heatTransfer_model !< Activate HEAT transfer model at the bubble-liquid interface + logical :: massTransfer_model !< Activate MASS transfer model at the bubble-liquid interface + logical :: write_bubbles !< Write files to track the bubble evolution each time step + logical :: write_bubbles_stats !< Write the maximum and minimum radius of each bubble + integer :: nBubs_glb !< Global number of bubbles + real(wp) :: epsilonb !< Standard deviation scaling for the gaussian function + real(wp) :: charwidth !< Domain virtual depth (z direction, for 2D simulations) + real(wp) :: valmaxvoid !< Maximum void fraction permitted + logical :: write_void_evol !< Write files to track evolution of void fraction at each time step + integer :: nParticles_glb !< Global number of particles + integer :: vel_model !< Particle velocity model + integer :: drag_model !< Particle drag model + logical :: pressure_force !< Include pressure force translational motion + logical :: gravity_force !< Include gravity force in translational motion + integer :: qs_drag_model !< Particle QS drag model + integer :: stokes_drag !< Particle stokes drag + integer :: added_mass_model !< Particle added mass model + integer :: interpolation_order !< Fluid-to-Particle barycentric interpolation order + logical :: collision_force !< Include collision forces + logical :: qs_fluct_force !< QS Fluctuations + character(LEN=pathlen_max) :: input_path !< Path to lag_bubbles.dat + integer :: charNz !< Number of grid cells in characteristic depth + real(wp) :: mu_ref !< Reference Viscosity for particle drag end type bubbles_lagrange_parameters !> Max and min number of cells in a direction of each combination of x-,y-, and z- diff --git a/src/common/m_helper.fpp b/src/common/m_helper.fpp index 4074530a8f..af79f2c730 100644 --- a/src/common/m_helper.fpp +++ b/src/common/m_helper.fpp @@ -18,7 +18,7 @@ module m_helper public :: s_comp_n_from_prim, s_comp_n_from_cons, s_initialize_bubbles_model, s_initialize_nonpoly, s_simpson, s_transcoeff, & & s_int_to_str, s_transform_vec, s_transform_triangle, s_transform_model, s_swap, f_cross, f_create_transform_matrix, & & f_create_bbox, s_print_2D_array, f_xor, f_logical_to_int, associated_legendre, real_ylm, double_factorial, factorial, & - & f_cut_on, f_cut_off, s_downsample_data, s_upsample_data + & f_cut_on, f_cut_off, s_downsample_data, s_upsample_data, s_initialize_particles_model contains @@ -83,6 +83,13 @@ contains end subroutine s_print_2D_array !> Initialize bubble model arrays for Euler or Lagrangian bubbles with polytropic or non-polytropic gas. + impure subroutine s_initialize_particles_model() + + rho0ref_particle = particle_pp%rho0ref_particle + cp_particle = particle_pp%cp_particle + + end subroutine s_initialize_particles_model + impure subroutine s_initialize_bubbles_model() ! Allocate memory diff --git a/src/common/m_helper_basic.fpp b/src/common/m_helper_basic.fpp index 7208a451da..5f3eaca98b 100644 --- a/src/common/m_helper_basic.fpp +++ b/src/common/m_helper_basic.fpp @@ -101,14 +101,13 @@ contains !> Compute ghost-cell buffer size and set interior/buffered coordinate index bounds. subroutine s_configure_coordinate_bounds(recon_type, weno_polyn, muscl_polyn, igr_order, buff_size, idwint, idwbuff, viscous, & - - & bubbles_lagrange, m, n, p, num_dims, igr, ib) + & bubbles_lagrange, particles_lagrange, m, n, p, num_dims, igr, ib, fd_number) integer, intent(in) :: recon_type, weno_polyn, muscl_polyn - integer, intent(in) :: m, n, p, num_dims, igr_order + integer, intent(in) :: m, n, p, num_dims, igr_order, fd_number integer, intent(inout) :: buff_size type(int_bounds_info), dimension(3), intent(inout) :: idwint, idwbuff - logical, intent(in) :: viscous, bubbles_lagrange + logical, intent(in) :: viscous, bubbles_lagrange, particles_lagrange logical, intent(in) :: igr logical, intent(in) :: ib @@ -128,7 +127,12 @@ contains ! Correction for smearing function in the lagrangian subgrid bubble model if (bubbles_lagrange) then - buff_size = max(buff_size, 6) + buff_size = max(buff_size + fd_number, mapCells + 1 + fd_number) + end if + + ! Correction for smearing function in the lagrangian subgrid particle model + if (particles_lagrange) then + buff_size = max(buff_size + fd_number, mapCells + 1 + fd_number) end if if (ib) then diff --git a/src/common/m_model.fpp b/src/common/m_model.fpp index c88bffa7e6..d994ed3220 100644 --- a/src/common/m_model.fpp +++ b/src/common/m_model.fpp @@ -18,7 +18,7 @@ module m_model private public :: f_model_read, s_model_write, s_model_free, f_model_is_inside, models, gpu_ntrs, gpu_trs_v, gpu_trs_n, & - & gpu_boundary_v, gpu_boundary_edge_count, gpu_total_vertices, stl_bounding_boxes + & gpu_boundary_v, gpu_boundary_edge_count, gpu_total_vertices, stl_bounding_boxes, f_model_random_number ! Subroutines for STL immersed boundaries public :: s_check_boundary, s_register_edge, f_model_is_inside_flat, s_distance_normals_3D, s_distance_normals_2D, & diff --git a/src/common/m_mpi_common.fpp b/src/common/m_mpi_common.fpp index 8a719f5758..3dc14c9d69 100644 --- a/src/common/m_mpi_common.fpp +++ b/src/common/m_mpi_common.fpp @@ -25,6 +25,11 @@ module m_mpi_common real(wp), private, allocatable, dimension(:) :: buff_send !< Primitive variable send buffer for halo exchange real(wp), private, allocatable, dimension(:) :: buff_recv !< Primitive variable receive buffer for halo exchange + type(int_bounds_info) :: comm_coords(3) + integer :: comm_size(3) + $:GPU_DECLARE(create='[comm_coords, comm_size]') + !! Variables for EL bubbles communication + #ifndef __NVCOMPILER_GPU_UNIFIED_MEM $:GPU_DECLARE(create='[buff_send, buff_recv]') #endif @@ -37,6 +42,8 @@ contains !> Initialize the module. impure subroutine s_initialize_mpi_common_module + integer :: beta_v_size, beta_comm_size_1, beta_comm_size_2, beta_comm_size_3, beta_halo_size + #ifdef MFC_MPI ! Allocating buff_send/recv and. Please note that for the sake of simplicity, both variables are provided sufficient storage ! to hold the largest buffer in the computational domain. @@ -58,6 +65,24 @@ contains halo_size = -1 + buff_size*(v_size) end if + if (bubbles_lagrange .or. particles_lagrange) then + beta_v_size = size(beta_vars) + beta_comm_size_1 = m + 2*mapCells + 3 + beta_comm_size_2 = merge(n + 2*mapCells + 3, 1, n > 0) + beta_comm_size_3 = merge(p + 2*mapCells + 3, 1, p > 0) + if (n > 0) then + if (p > 0) then + beta_halo_size = 2*(mapCells + 1)*beta_v_size*max(beta_comm_size_2*beta_comm_size_3, & + & beta_comm_size_1*beta_comm_size_3, beta_comm_size_1*beta_comm_size_2) - 1 + else + beta_halo_size = 2*(mapCells + 1)*beta_v_size*max(beta_comm_size_2, beta_comm_size_1) - 1 + end if + else + beta_halo_size = 2*(mapCells + 1)*beta_v_size - 1 + end if + halo_size = max(halo_size, beta_halo_size) + end if + $:GPU_UPDATE(device='[halo_size, v_size]') #ifndef __NVCOMPILER_GPU_UNIFIED_MEM @@ -286,40 +311,65 @@ contains !! performed by sifting through the local extrema of each stability criterion. Note that each of the local extrema is from a !! single process, within its assigned section of the computational domain. Finally, note that the global extrema values are !! only bookkeept on the rank 0 processor. - impure subroutine s_mpi_reduce_stability_criteria_extrema(icfl_max_loc, vcfl_max_loc, Rc_min_loc, icfl_max_glb, vcfl_max_glb, & - - & Rc_min_glb) + impure subroutine s_mpi_reduce_stability_criteria_extrema(icfl_max_loc, vcfl_max_loc, Rc_min_loc, bubs_loc, icfl_max_glb, & + & vcfl_max_glb, Rc_min_glb, bubs_glb) real(wp), intent(in) :: icfl_max_loc real(wp), intent(in) :: vcfl_max_loc real(wp), intent(in) :: Rc_min_loc + integer, intent(in) :: bubs_loc real(wp), intent(out) :: icfl_max_glb real(wp), intent(out) :: vcfl_max_glb real(wp), intent(out) :: Rc_min_glb + integer, intent(out) :: bubs_glb #ifdef MFC_SIMULATION #ifdef MFC_MPI integer :: ierr !< Generic flag used to identify and report MPI errors + bubs_glb = 0 + call MPI_REDUCE(icfl_max_loc, icfl_max_glb, 1, mpi_p, MPI_MAX, 0, MPI_COMM_WORLD, ierr) if (viscous) then call MPI_REDUCE(vcfl_max_loc, vcfl_max_glb, 1, mpi_p, MPI_MAX, 0, MPI_COMM_WORLD, ierr) call MPI_REDUCE(Rc_min_loc, Rc_min_glb, 1, mpi_p, MPI_MIN, 0, MPI_COMM_WORLD, ierr) end if + + if (bubbles_lagrange) then + call MPI_REDUCE(bubs_loc, bubs_glb, 1, MPI_INTEGER, MPI_SUM, 0, MPI_COMM_WORLD, ierr) + end if #else icfl_max_glb = icfl_max_loc + bubs_glb = 0 if (viscous) then vcfl_max_glb = vcfl_max_loc Rc_min_glb = Rc_min_loc end if + + if (bubbles_lagrange) bubs_glb = bubs_loc #endif #endif end subroutine s_mpi_reduce_stability_criteria_extrema !> Reduce a local real value to its global sum across all MPI ranks. + subroutine s_mpi_reduce_int_sum(var_loc, sum) + + integer, intent(in) :: var_loc + integer, intent(out) :: sum + +#ifdef MFC_MPI + integer :: ierr !< Generic flag used to identify and report MPI errors + + call MPI_REDUCE(var_loc, sum, 1, MPI_INTEGER, MPI_SUM, 0, MPI_COMM_WORLD, ierr) +#else + sum = var_loc +#endif + + end subroutine s_mpi_reduce_int_sum + impure subroutine s_mpi_allreduce_sum(var_loc, var_glb) real(wp), intent(in) :: var_loc @@ -425,6 +475,7 @@ contains #ifdef MFC_MPI integer :: ierr !< Generic flag used to identify and report MPI errors real(wp), dimension(2) :: var_glb !< Reduced (max value, rank) pair + call MPI_REDUCE(var_loc, var_glb, 1, mpi_2p, MPI_MAXLOC, 0, MPI_COMM_WORLD, ierr) call MPI_BCAST(var_glb, 1, mpi_2p, 0, MPI_COMM_WORLD, ierr) @@ -903,7 +954,262 @@ contains end subroutine s_mpi_sendrecv_variables_buffers - !> Decompose the computational domain among processors by balancing cells per rank in each coordinate direction. + !> The goal of this procedure is to populate the buffers of the cell-average conservative variables by communicating with the + !! neighboring processors. + !! @param q_cons_vf Cell-average conservative variables + !! @param mpi_dir MPI communication coordinate direction + !! @param pbc_loc Processor boundary condition (PBC) location + subroutine s_mpi_reduce_beta_variables_buffers(q_comm, kahan_comp, mpi_dir, pbc_loc, nVar, vars_comm) + + type(scalar_field), dimension(1:), intent(inout) :: q_comm + type(scalar_field), dimension(1:), intent(inout) :: kahan_comp + integer, intent(in) :: mpi_dir, pbc_loc, nVar + integer, dimension(:), intent(in) :: vars_comm + integer :: i, j, k, l, r, q !< Generic loop iterators + integer :: lb_size + integer :: buffer_counts(1:3), buffer_count + type(int_bounds_info) :: boundary_conditions(1:3) + integer :: beg_end(1:2), grid_dims(1:3) + integer :: dst_proc, src_proc, recv_tag, send_tag + logical :: replace_buff + integer :: pack_offset, unpack_offset + real(wp) :: y_kahan, t_kahan + +#ifdef MFC_MPI + integer :: ierr !< Generic flag used to identify and report MPI errors + + call nvtxStartRange("BETA-COMM-PACKBUF") + + ! Set bounds for each dimension Always include the full buffer range for each existing dimension. The Gaussian smearing + ! kernel writes to buffer cells even at physical boundaries, and these contributions must be communicated to neighbors in + ! other directions via ADD operations. + comm_coords(1)%beg = -mapcells - 1 + comm_coords(1)%end = m + mapcells + 1 + comm_coords(2)%beg = merge(-mapcells - 1, 0, n > 0) + comm_coords(2)%end = merge(n + mapcells + 1, n, n > 0) + comm_coords(3)%beg = merge(-mapcells - 1, 0, p > 0) + comm_coords(3)%end = merge(p + mapcells + 1, p, p > 0) + + ! Compute sizes + comm_size(1) = comm_coords(1)%end - comm_coords(1)%beg + 1 + comm_size(2) = comm_coords(2)%end - comm_coords(2)%beg + 1 + comm_size(3) = comm_coords(3)%end - comm_coords(3)%beg + 1 + + ! Buffer counts using the conditional sizes + v_size = nVar + lb_size = 2*(mapcells + 1) ! Size of the buffer region for beta variables (-mapcells - 1, mapcells) + buffer_counts = (/lb_size*v_size*comm_size(2)*comm_size(3), lb_size*v_size*comm_size(1)*comm_size(3), & + & lb_size*v_size*comm_size(1)*comm_size(2)/) + + $:GPU_UPDATE(device='[v_size, comm_coords, comm_size]') + + buffer_count = buffer_counts(mpi_dir) + boundary_conditions = (/bc_x, bc_y, bc_z/) + beg_end = (/boundary_conditions(mpi_dir)%beg, boundary_conditions(mpi_dir)%end/) + grid_dims = (/m, n, p/) + + if (pbc_loc == -1) then + ! Phase 1: Rightward accumulation Send END buffer to right neighbor, recv from left into BEG, ADD + pack_offset = grid_dims(mpi_dir) + 1 + unpack_offset = 0 + dst_proc = merge(beg_end(2), MPI_PROC_NULL, beg_end(2) >= 0) + src_proc = merge(beg_end(1), MPI_PROC_NULL, beg_end(1) >= 0) + send_tag = 0 + recv_tag = 0 + replace_buff = .false. + else + ! Phase 2: Leftward distribution Send BEG buffer to left neighbor, recv from right into END, REPLACE + pack_offset = 0 + unpack_offset = grid_dims(mpi_dir) + 1 + dst_proc = merge(beg_end(1), MPI_PROC_NULL, beg_end(1) >= 0) + src_proc = merge(beg_end(2), MPI_PROC_NULL, beg_end(2) >= 0) + send_tag = 1 + recv_tag = 1 + replace_buff = .true. + end if + + ! Pack Buffer to Send + #:for mpi_dir in [1, 2, 3] + if (mpi_dir == ${mpi_dir}$) then + #:if mpi_dir == 1 + $:GPU_PARALLEL_LOOP(collapse=4,private='[r]',copyin='[vars_comm]') + do l = comm_coords(3)%beg, comm_coords(3)%end + do k = comm_coords(2)%beg, comm_coords(2)%end + do j = -mapcells - 1, mapcells + do i = 1, v_size + r = (i - 1) + v_size*((j + mapcells + 1) + lb_size*((k - comm_coords(2)%beg) + comm_size(2) & + & *(l - comm_coords(3)%beg))) + buff_send(r) = real(q_comm(vars_comm(i))%sf(j + pack_offset, k, l), & + & kind=wp) - real(kahan_comp(vars_comm(i))%sf(j + pack_offset, k, l), kind=wp) + end do + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + #:elif mpi_dir == 2 + $:GPU_PARALLEL_LOOP(collapse=4,private='[r]',copyin='[vars_comm]') + do i = 1, v_size + do l = comm_coords(3)%beg, comm_coords(3)%end + do k = -mapcells - 1, mapcells + do j = comm_coords(1)%beg, comm_coords(1)%end + r = (i - 1) + v_size*((j - comm_coords(1)%beg) + comm_size(1)*((k + mapcells + 1) & + & + lb_size*(l - comm_coords(3)%beg))) + buff_send(r) = real(q_comm(vars_comm(i))%sf(j, k + pack_offset, l), & + & kind=wp) - real(kahan_comp(vars_comm(i))%sf(j, k + pack_offset, l), kind=wp) + end do + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + #:else + $:GPU_PARALLEL_LOOP(collapse=4,private='[r]',copyin='[vars_comm]') + do i = 1, v_size + do l = -mapcells - 1, mapcells + do k = comm_coords(2)%beg, comm_coords(2)%end + do j = comm_coords(1)%beg, comm_coords(1)%end + r = (i - 1) + v_size*((j - comm_coords(1)%beg) + comm_size(1)*((k - comm_coords(2)%beg) & + & + comm_size(2)*(l + mapcells + 1))) + buff_send(r) = real(q_comm(vars_comm(i))%sf(j, k, l + pack_offset), & + & kind=wp) - real(kahan_comp(vars_comm(i))%sf(j, k, l + pack_offset), kind=wp) + end do + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + #:endif + end if + #:endfor + call nvtxEndRange ! Packbuf + + ! Send/Recv +#ifdef MFC_SIMULATION + #:for rdma_mpi in [False, True] + if (rdma_mpi .eqv. ${'.true.' if rdma_mpi else '.false.'}$) then + #:if rdma_mpi + #:call GPU_HOST_DATA(use_device_addr='[buff_send, buff_recv]') + call nvtxStartRange("BETA-COMM-SENDRECV-RDMA") + + call MPI_SENDRECV(buff_send, buffer_count, mpi_p, dst_proc, send_tag, buff_recv, buffer_count, mpi_p, & + & src_proc, recv_tag, MPI_COMM_WORLD, MPI_STATUS_IGNORE, ierr) + + call nvtxEndRange ! BETA-MPI-SENDRECV-(NO)-RDMA + #:endcall GPU_HOST_DATA + $:GPU_WAIT() + #:else + call nvtxStartRange("BETA-COMM-DEV2HOST") + $:GPU_UPDATE(host='[buff_send]') + call nvtxEndRange + call nvtxStartRange("BETA-COMM-SENDRECV-NO-RMDA") + + call MPI_SENDRECV(buff_send, buffer_count, mpi_p, dst_proc, send_tag, buff_recv, buffer_count, mpi_p, & + & src_proc, recv_tag, MPI_COMM_WORLD, MPI_STATUS_IGNORE, ierr) + + call nvtxEndRange ! BETA-MPI-SENDRECV-(NO)-RDMA + + call nvtxStartRange("BETA-COMM-HOST2DEV") + $:GPU_UPDATE(device='[buff_recv]') + call nvtxEndRange + #:endif + end if + #:endfor +#else + call MPI_SENDRECV(buff_send, buffer_count, mpi_p, dst_proc, send_tag, buff_recv, buffer_count, mpi_p, src_proc, recv_tag, & + & MPI_COMM_WORLD, MPI_STATUS_IGNORE, ierr) +#endif + + ! Unpack Received Buffer (skip if no source rank) + call nvtxStartRange("BETA-COMM-UNPACKBUF") + if (src_proc /= MPI_PROC_NULL) then + #:for mpi_dir in [1, 2, 3] + if (mpi_dir == ${mpi_dir}$) then + #:if mpi_dir == 1 + $:GPU_PARALLEL_LOOP(collapse=4,private='[r, y_kahan, t_kahan]',copyin='[replace_buff, vars_comm]') + do l = comm_coords(3)%beg, comm_coords(3)%end + do k = comm_coords(2)%beg, comm_coords(2)%end + do j = -mapcells - 1, mapcells + do i = 1, v_size + r = (i - 1) + v_size*((j + mapcells + 1) + lb_size*((k - comm_coords(2)%beg) & + & + comm_size(2)*(l - comm_coords(3)%beg))) + if (replace_buff) then + q_comm(vars_comm(i))%sf(j + unpack_offset, k, l) = real(buff_recv(r), kind=stp) + kahan_comp(vars_comm(i))%sf(j + unpack_offset, k, & + & l) = real(q_comm(vars_comm(i))%sf(j + unpack_offset, k, l), & + & kind=wp) - buff_recv(r) + else + y_kahan = buff_recv(r) - real(kahan_comp(vars_comm(i))%sf(j + unpack_offset, k, l), & + & kind=wp) + t_kahan = real(q_comm(vars_comm(i))%sf(j + unpack_offset, k, l), kind=wp) + y_kahan + kahan_comp(vars_comm(i))%sf(j + unpack_offset, k, & + & l) = (t_kahan - q_comm(vars_comm(i))%sf(j + unpack_offset, k, l)) - y_kahan + q_comm(vars_comm(i))%sf(j + unpack_offset, k, l) = t_kahan + end if + end do + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + #:elif mpi_dir == 2 + $:GPU_PARALLEL_LOOP(collapse=4,private='[r, y_kahan, t_kahan]',copyin='[replace_buff, vars_comm]') + do i = 1, v_size + do l = comm_coords(3)%beg, comm_coords(3)%end + do k = -mapcells - 1, mapcells + do j = comm_coords(1)%beg, comm_coords(1)%end + r = (i - 1) + v_size*((j - comm_coords(1)%beg) + comm_size(1)*((k + mapcells + 1) & + & + lb_size*(l - comm_coords(3)%beg))) + if (replace_buff) then + q_comm(vars_comm(i))%sf(j, k + unpack_offset, l) = real(buff_recv(r), kind=stp) + kahan_comp(vars_comm(i))%sf(j, k + unpack_offset, & + & l) = real(q_comm(vars_comm(i))%sf(j, k + unpack_offset, l), & + & kind=wp) - buff_recv(r) + else + y_kahan = buff_recv(r) - real(kahan_comp(vars_comm(i))%sf(j, k + unpack_offset, l), & + & kind=wp) + t_kahan = real(q_comm(vars_comm(i))%sf(j, k + unpack_offset, l), kind=wp) + y_kahan + kahan_comp(vars_comm(i))%sf(j, k + unpack_offset, & + & l) = (t_kahan - q_comm(vars_comm(i))%sf(j, k + unpack_offset, l)) - y_kahan + q_comm(vars_comm(i))%sf(j, k + unpack_offset, l) = t_kahan + end if + end do + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + #:else + $:GPU_PARALLEL_LOOP(collapse=4,private='[r, y_kahan, t_kahan]',copyin='[replace_buff, vars_comm]') + do i = 1, v_size + do l = -mapcells - 1, mapcells + do k = comm_coords(2)%beg, comm_coords(2)%end + do j = comm_coords(1)%beg, comm_coords(1)%end + r = (i - 1) + v_size*((j - comm_coords(1)%beg) + comm_size(1)*((k - comm_coords(2)%beg) & + & + comm_size(2)*(l + mapcells + 1))) + if (replace_buff) then + q_comm(vars_comm(i))%sf(j, k, l + unpack_offset) = real(buff_recv(r), kind=stp) + kahan_comp(vars_comm(i))%sf(j, k, & + & l + unpack_offset) = real(q_comm(vars_comm(i))%sf(j, k, & + & l + unpack_offset), kind=wp) - buff_recv(r) + else + y_kahan = buff_recv(r) - real(kahan_comp(vars_comm(i))%sf(j, k, l + unpack_offset), & + & kind=wp) + t_kahan = real(q_comm(vars_comm(i))%sf(j, k, l + unpack_offset), kind=wp) + y_kahan + kahan_comp(vars_comm(i))%sf(j, k, & + & l + unpack_offset) = (t_kahan - q_comm(vars_comm(i))%sf(j, k, & + & l + unpack_offset)) - y_kahan + q_comm(vars_comm(i))%sf(j, k, l + unpack_offset) = t_kahan + end if + end do + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + #:endif + end if + #:endfor + end if + call nvtxEndRange +#endif + + end subroutine s_mpi_reduce_beta_variables_buffers + subroutine s_mpi_decompose_computational_domain #ifdef MFC_MPI @@ -914,9 +1220,17 @@ contains integer :: MPI_COMM_CART !< Cartesian processor topology communicator integer :: rem_cells !< Remaining cells after distribution among processors integer :: recon_order !< WENO or MUSCL reconstruction order - integer :: i, j !< Generic loop iterators + integer :: i, j, k !< Generic loop iterators integer :: ierr !< Generic flag used to identify and report MPI errors + ! temp array to store neighbor rank coordinates + integer, dimension(1:num_dims) :: neighbor_coords + + ! Zeroing out communication needs for moving EL bubbles/particles + nidx(1)%beg = 0; nidx(1)%end = 0 + nidx(2)%beg = 0; nidx(2)%end = 0 + nidx(3)%beg = 0; nidx(3)%end = 0 + if (recon_type == WENO_TYPE) then recon_order = weno_order else @@ -1069,6 +1383,7 @@ contains proc_coords(3) = proc_coords(3) - 1 call MPI_CART_RANK(MPI_COMM_CART, proc_coords, bc_z%beg, ierr) proc_coords(3) = proc_coords(3) + 1 + nidx(3)%beg = -1 end if ! Boundary condition at the end @@ -1076,6 +1391,7 @@ contains proc_coords(3) = proc_coords(3) + 1 call MPI_CART_RANK(MPI_COMM_CART, proc_coords, bc_z%end, ierr) proc_coords(3) = proc_coords(3) - 1 + nidx(3)%end = 1 end if #ifdef MFC_POST_PROCESS @@ -1181,6 +1497,7 @@ contains proc_coords(2) = proc_coords(2) - 1 call MPI_CART_RANK(MPI_COMM_CART, proc_coords, bc_y%beg, ierr) proc_coords(2) = proc_coords(2) + 1 + nidx(2)%beg = -1 end if ! Boundary condition at the end @@ -1188,6 +1505,7 @@ contains proc_coords(2) = proc_coords(2) + 1 call MPI_CART_RANK(MPI_COMM_CART, proc_coords, bc_y%end, ierr) proc_coords(2) = proc_coords(2) - 1 + nidx(2)%end = 1 end if #ifdef MFC_POST_PROCESS @@ -1264,6 +1582,7 @@ contains proc_coords(1) = proc_coords(1) - 1 call MPI_CART_RANK(MPI_COMM_CART, proc_coords, bc_x%beg, ierr) proc_coords(1) = proc_coords(1) + 1 + nidx(1)%beg = -1 end if ! Boundary condition at the end @@ -1271,20 +1590,21 @@ contains proc_coords(1) = proc_coords(1) + 1 call MPI_CART_RANK(MPI_COMM_CART, proc_coords, bc_x%end, ierr) proc_coords(1) = proc_coords(1) - 1 + nidx(1)%end = 1 end if #ifdef MFC_POST_PROCESS ! Ghost zone at the beginning if (proc_coords(1) > 0 .and. format == 1) then offset_x%beg = 2 - else + else ! PBC at the beginning only offset_x%beg = 0 end if ! Ghost zone at the end if (proc_coords(1) < num_procs_x - 1 .and. format == 1) then offset_x%end = 2 - else + else ! PBC at the end offset_x%end = 0 end if #endif @@ -1293,10 +1613,10 @@ contains if (parallel_io) then if (proc_coords(1) < rem_cells) then start_idx(1) = (m + 1)*proc_coords(1) - else + else ! PBC at the end only start_idx(1) = (m + 1)*proc_coords(1) + rem_cells end if - else + else ! PBC at the beginning only #ifdef MFC_PRE_PROCESS if (old_grid .neqv. .true.) then dx = (x_domain%end - x_domain%beg)/real(m_glb + 1, wp) @@ -1304,13 +1624,27 @@ contains if (proc_coords(1) < rem_cells) then x_domain%beg = x_domain%beg + dx*real((m + 1)*proc_coords(1)) x_domain%end = x_domain%end - dx*real((m + 1)*(num_procs_x - proc_coords(1) - 1) - (num_procs_x - rem_cells)) - else + else ! PBC at the end x_domain%beg = x_domain%beg + dx*real((m + 1)*proc_coords(1) + rem_cells) x_domain%end = x_domain%end - dx*real((m + 1)*(num_procs_x - proc_coords(1) - 1)) end if end if #endif end if + + @:ALLOCATE(neighbor_ranks(nidx(1)%beg:nidx(1)%end, nidx(2)%beg:nidx(2)%end, nidx(3)%beg:nidx(3)%end)) + do k = nidx(3)%beg, nidx(3)%end + do j = nidx(2)%beg, nidx(2)%end + do i = nidx(1)%beg, nidx(1)%end + if (abs(i) + abs(j) + abs(k) > 0) then + neighbor_coords(1) = proc_coords(1) + i + if (num_dims > 1) neighbor_coords(2) = proc_coords(2) + j + if (num_dims > 2) neighbor_coords(3) = proc_coords(3) + k + call MPI_CART_RANK(MPI_COMM_CART, neighbor_coords, neighbor_ranks(i, j, k), ierr) + end if + end do + end do + end do #endif end subroutine s_mpi_decompose_computational_domain @@ -1333,15 +1667,15 @@ contains if (bc_x%end >= 0) then ! PBC at the beginning and end call MPI_SENDRECV(dx(m - buff_size + 1), buff_size, mpi_p, bc_x%end, 0, dx(-buff_size), buff_size, mpi_p, & & bc_x%beg, 0, MPI_COMM_WORLD, MPI_STATUS_IGNORE, ierr) - else ! PBC at the beginning only + else ! PBC at the end only call MPI_SENDRECV(dx(0), buff_size, mpi_p, bc_x%beg, 1, dx(-buff_size), buff_size, mpi_p, bc_x%beg, 0, & & MPI_COMM_WORLD, MPI_STATUS_IGNORE, ierr) end if - else ! PBC at the end + else if (bc_x%beg >= 0) then ! PBC at the end and beginning call MPI_SENDRECV(dx(0), buff_size, mpi_p, bc_x%beg, 1, dx(m + 1), buff_size, mpi_p, bc_x%end, 1, & & MPI_COMM_WORLD, MPI_STATUS_IGNORE, ierr) - else ! PBC at the end only + else ! PBC at the beginning only call MPI_SENDRECV(dx(m - buff_size + 1), buff_size, mpi_p, bc_x%end, 0, dx(m + 1), buff_size, mpi_p, & & bc_x%end, 1, MPI_COMM_WORLD, MPI_STATUS_IGNORE, ierr) end if @@ -1352,15 +1686,15 @@ contains if (bc_y%end >= 0) then ! PBC at the beginning and end call MPI_SENDRECV(dy(n - buff_size + 1), buff_size, mpi_p, bc_y%end, 0, dy(-buff_size), buff_size, mpi_p, & & bc_y%beg, 0, MPI_COMM_WORLD, MPI_STATUS_IGNORE, ierr) - else ! PBC at the beginning only + else ! PBC at the end call MPI_SENDRECV(dy(0), buff_size, mpi_p, bc_y%beg, 1, dy(-buff_size), buff_size, mpi_p, bc_y%beg, 0, & & MPI_COMM_WORLD, MPI_STATUS_IGNORE, ierr) end if - else ! PBC at the end + else ! PBC at the end only if (bc_y%beg >= 0) then ! PBC at the end and beginning call MPI_SENDRECV(dy(0), buff_size, mpi_p, bc_y%beg, 1, dy(n + 1), buff_size, mpi_p, bc_y%end, 1, & & MPI_COMM_WORLD, MPI_STATUS_IGNORE, ierr) - else ! PBC at the end only + else call MPI_SENDRECV(dy(n - buff_size + 1), buff_size, mpi_p, bc_y%end, 0, dy(n + 1), buff_size, mpi_p, & & bc_y%end, 1, MPI_COMM_WORLD, MPI_STATUS_IGNORE, ierr) end if @@ -1371,15 +1705,15 @@ contains if (bc_z%end >= 0) then ! PBC at the beginning and end call MPI_SENDRECV(dz(p - buff_size + 1), buff_size, mpi_p, bc_z%end, 0, dz(-buff_size), buff_size, mpi_p, & & bc_z%beg, 0, MPI_COMM_WORLD, MPI_STATUS_IGNORE, ierr) - else ! PBC at the beginning only + else call MPI_SENDRECV(dz(0), buff_size, mpi_p, bc_z%beg, 1, dz(-buff_size), buff_size, mpi_p, bc_z%beg, 0, & & MPI_COMM_WORLD, MPI_STATUS_IGNORE, ierr) end if - else ! PBC at the end + else if (bc_z%beg >= 0) then ! PBC at the end and beginning call MPI_SENDRECV(dz(0), buff_size, mpi_p, bc_z%beg, 1, dz(p + 1), buff_size, mpi_p, bc_z%end, 1, & & MPI_COMM_WORLD, MPI_STATUS_IGNORE, ierr) - else ! PBC at the end only + else call MPI_SENDRECV(dz(p - buff_size + 1), buff_size, mpi_p, bc_z%end, 0, dz(p + 1), buff_size, mpi_p, & & bc_z%end, 1, MPI_COMM_WORLD, MPI_STATUS_IGNORE, ierr) end if diff --git a/src/post_process/m_global_parameters.fpp b/src/post_process/m_global_parameters.fpp index 0530c31081..8e44769036 100644 --- a/src/post_process/m_global_parameters.fpp +++ b/src/post_process/m_global_parameters.fpp @@ -26,6 +26,7 @@ module m_global_parameters ! Computational Domain Parameters integer :: proc_rank !< Rank of the local processor + !> @name Number of cells in the x-, y- and z-coordinate directions !> @{ integer :: m, m_root @@ -50,6 +51,7 @@ module m_global_parameters integer :: num_dims !< Number of spatial dimensions integer :: num_vels !< Number of velocity components (different from num_dims for mhd) + !> @name Cell-boundary locations in the x-, y- and z-coordinate directions !> @{ real(wp), allocatable, dimension(:) :: x_cb, x_root_cb, y_cb, z_cb @@ -66,10 +68,14 @@ module m_global_parameters real(wp), allocatable, dimension(:) :: dx, dy, dz !> @} - integer :: buff_size !< Number of ghost cells for boundary condition storage - integer :: t_step_start !< First time-step directory - integer :: t_step_stop !< Last time-step directory - integer :: t_step_save !< Interval between consecutive time-step directory + !> Number of cells in buffer region. For the variables which feature a buffer region, this region is used to store information + !! outside the computational domain based on the boundary conditions. + integer :: buff_size !< Number of ghost cells for boundary condition storage + integer, allocatable :: beta_vars(:) !< Indices of variables to communicate for bubble/particle coupling + integer :: t_step_start !< First time-step directory + integer :: t_step_stop !< Last time-step directory + integer :: t_step_save !< Interval between consecutive time-step directory + !> @name IO options for adaptive time-stepping !> @{ logical :: cfl_adap_dt, cfl_const_dt, cfl_dt @@ -80,7 +86,8 @@ module m_global_parameters integer :: n_start !> @} - ! NOTE: m_root, x_root_cb, x_root_cc = defragmented grid (1D only; equals m, x_cb, x_cc in serial) + ! NOTE: The variables m_root, x_root_cb and x_root_cc contain the grid data of the defragmented computational domain. They are + ! only used in 1D. For serial simulations, they are equal to m, x_cb and x_cc, respectively. !> @name Simulation Algorithm Parameters !> @{ @@ -110,6 +117,7 @@ module m_global_parameters !> @} integer :: avg_state !< Average state evaluation method + !> @name Annotations of the structure, i.e. the organization, of the state vectors !> @{ type(int_bounds_info) :: cont_idx !< Indexes of first & last continuity eqns. @@ -135,7 +143,8 @@ module m_global_parameters ! Cell Indices for the (local) interior points (O-m, O-n, 0-p). Stands for "InDices With BUFFer". type(int_bounds_info) :: idwint(1:3) - ! Cell indices (InDices With BUFFer): includes buffer in simulation only + ! Cell Indices for the entire (local) domain. In simulation, this includes the buffer region. idwbuff and idwint are the same + ! otherwise. Stands for "InDices With BUFFer". type(int_bounds_info) :: idwbuff(1:3) integer :: num_bc_patches logical :: bc_io @@ -144,16 +153,23 @@ module m_global_parameters type(int_bounds_info) :: bc_x, bc_y, bc_z !> @} - integer :: shear_num !< Number of shear stress components - integer, dimension(3) :: shear_indices !< Indices of the stress components that represent shear stress - integer :: shear_BC_flip_num !< Number of shear stress components to reflect for boundary conditions - integer, dimension(3, 2) :: shear_BC_flip_indices !< Shear stress BC reflection indices (1:3, 1:shear_BC_flip_num) - logical :: parallel_io !< Format of the data files - logical :: sim_data - logical :: file_per_process !< output format - integer, allocatable, dimension(:) :: proc_coords !< Processor coordinates in MPI_CART_COMM + integer :: shear_num !< Number of shear stress components + integer, dimension(3) :: shear_indices !< Indices of the stress components that represent shear stress + integer :: shear_BC_flip_num !< Number of shear stress components to reflect for boundary conditions + !> Indices of shear stress components to reflect for boundary conditions. Size: (1:3, 1:shear_BC_flip_num) for (x/y/z, + !! [indices]) + integer, dimension(3, 2) :: shear_BC_flip_indices !< Shear stress BC reflection indices (1:3, 1:shear_BC_flip_num) + logical :: parallel_io !< Format of the data files + logical :: sim_data + logical :: file_per_process !< output format + integer, allocatable, dimension(:) :: proc_coords !< Processor coordinates in MPI_CART_COMM + type(int_bounds_info), dimension(3) :: nidx + integer, allocatable, dimension(:,:,:) :: neighbor_ranks + !! Neighbor processor ranks + integer, allocatable, dimension(:) :: start_idx !< Starting cell-center index of local processor in global grid - integer :: num_ibs !< Number of immersed boundaries + integer :: num_ibs !< Number of immersed boundaries + #ifdef MFC_MPI type(mpi_io_var), public :: MPI_IO_DATA type(mpi_io_ib_var), public :: MPI_IO_IB_DATA @@ -168,10 +184,17 @@ module m_global_parameters integer :: mpi_info_int !> @} + !> Database of the physical parameters of each of the fluids that is present in the flow. These include the stiffened gas + !! equation of state parameters, and the Reynolds numbers. type(physical_parameters), dimension(num_fluids_max) :: fluid_pp !< Stiffened gas EOS parameters and Reynolds numbers per fluid + ! Subgrid Bubble Parameters type(subgrid_bubble_physical_parameters) :: bub_pp - real(wp), allocatable, dimension(:) :: adv !< Advection variables + + ! Subgrid Particle Parameters + type(subgrid_particle_physical_parameters) :: particle_pp + real(wp), allocatable, dimension(:) :: adv !< Advection variables + ! Formatted Database File(s) Structure Parameters integer :: format !< Format of the database file(s) @@ -180,6 +203,7 @@ module m_global_parameters logical :: output_partial_domain !< Specify portion of domain to output for post-processing type(bounds_info) :: x_output, y_output, z_output !< Portion of domain to output for post-processing type(int_bounds_info) :: x_output_idx, y_output_idx, z_output_idx !< Indices of domain to output for post-processing + !> @name Size of the ghost zone layer in the x-, y- and z-coordinate directions. The definition of the ghost zone layers is only !! necessary when using the Silo database file format in multidimensions. These zones provide VisIt with the subdomain !! connectivity information that it requires in order to produce smooth plots. @@ -201,6 +225,8 @@ module m_global_parameters logical :: E_wrt logical, dimension(num_fluids_max) :: alpha_rho_e_wrt logical :: fft_wrt + !> AMDFlang workaround: keep a dummy logical to avoid a compiler case-optimization bug when a parameter+GPU-kernel conditional + !! is false logical :: dummy !< AMDFlang workaround for case-optimization + GPU-kernel bug logical :: pres_wrt logical, dimension(num_fluids_max) :: alpha_wrt @@ -240,9 +266,19 @@ module m_global_parameters logical :: lag_betaC_wrt !> @} + !> Amplitude coefficients of the numerical Schlieren function that are used to adjust the intensity of numerical Schlieren + !! renderings for individual fluids. This enables waves and interfaces of varying strengths and in all of the fluids to be made + !! simultaneously visible on a single plot. real(wp), dimension(num_fluids_max) :: schlieren_alpha !< Per-fluid Schlieren intensity amplitude coefficients - integer :: fd_order !< Finite-difference order for vorticity and Schlieren derivatives - integer :: fd_number !< Finite-difference half-stencil size: MAX(1, fd_order/2) + + !> The order of the finite-difference (fd) approximations of the first-order derivatives that need to be evaluated when + !! vorticity and/or the numerical Schlieren function are to be outputted to the formatted database file(s). + integer :: fd_order !< Finite-difference order for vorticity and Schlieren derivatives + + !> The finite-difference number is given by MAX(1, fd_order/2). Essentially, it is a measure of the half-size of the + !! finite-difference stencil for the selected order of accuracy. + integer :: fd_number !< Finite-difference half-stencil size: MAX(1, fd_order/2) + !> @name Reference parameters for Tait EOS !> @{ real(wp) :: rhoref, pref @@ -271,6 +307,11 @@ module m_global_parameters integer :: nmom !> @} + !> @name Particle modeling variables and parameters + !> @{ + real(wp) :: cp_particle, rho0ref_particle + !> @} + !> @name surface tension coefficient !> @{ real(wp) :: sigma @@ -292,6 +333,7 @@ module m_global_parameters !> @name Lagrangian bubbles !> @{ logical :: bubbles_lagrange + logical :: particles_lagrange !> @} real(wp) :: Bx0 !< Constant magnetic field in the x-direction (1D) @@ -304,6 +346,7 @@ contains impure subroutine s_assign_default_values_to_user_inputs integer :: i !< Generic loop iterator + ! Logistics case_dir = '.' @@ -398,6 +441,14 @@ contains bub_pp%R_v = dflt_real; R_v = dflt_real bub_pp%R_g = dflt_real; R_g = dflt_real + ! Subgrid particle parameters + particle_pp%rho0ref_particle = dflt_real + particle_pp%cp_particle = dflt_real + particle_pp%ksp_col = dflt_real + particle_pp%nu_col = dflt_real + particle_pp%E_col = dflt_real + particle_pp%cor_col = dflt_real + ! Formatted database file(s) structure parameters format = dflt_int @@ -477,6 +528,7 @@ contains ! Lagrangian bubbles modeling bubbles_lagrange = .false. + particles_lagrange = .false. ! IBM num_ibs = dflt_int @@ -606,10 +658,9 @@ contains end if end if - if (bubbles_lagrange) then - beta_idx = sys_size + 1 - sys_size = beta_idx - end if + ! if (bubbles_lagrange) then beta_idx = sys_size + 1 sys_size = beta_idx end if + + ! if (particles_lagrange) then beta_idx = sys_size + 1 sys_size = beta_idx end if if (mhd) then B_idx%beg = sys_size + 1 @@ -733,6 +784,16 @@ contains sys_size = c_idx end if + if (bubbles_lagrange) then + beta_idx = sys_size + 1 + sys_size = beta_idx + end if + + if (particles_lagrange) then + beta_idx = sys_size + 1 + sys_size = beta_idx + end if + if (cont_damage) then damage_idx = sys_size + 1 sys_size = damage_idx @@ -748,6 +809,14 @@ contains end if end if + if (bubbles_lagrange) then + allocate (beta_vars(1:3)) + beta_vars(1:3) = [1, 2, 5] + else if (particles_lagrange) then + allocate (beta_vars(1:7)) + beta_vars(1:7) = [1, 2, 3, 4, 5, 6, 7] + end if + if (chemistry) then species_idx%beg = sys_size + 1 species_idx%end = sys_size + num_species @@ -968,6 +1037,9 @@ contains if (ib) MPI_IO_IB_DATA%var%sf => null() #endif + if (allocated(neighbor_ranks)) deallocate (neighbor_ranks) + if (allocated(beta_vars)) deallocate (beta_vars) + end subroutine s_finalize_global_parameters_module end module m_global_parameters diff --git a/src/post_process/m_mpi_proxy.fpp b/src/post_process/m_mpi_proxy.fpp index c91f140d39..873aa683ba 100644 --- a/src/post_process/m_mpi_proxy.fpp +++ b/src/post_process/m_mpi_proxy.fpp @@ -34,7 +34,6 @@ contains ! Allocating and configuring the receive counts and the displacement vector variables used in variable-gather communication ! procedures. Note that these are only needed for either multidimensional runs that utilize the Silo database file format or ! for 1D simulations. - if ((format == 1 .and. n > 0) .or. n == 0) then allocate (recvcounts(0:num_procs - 1)) allocate (displs(0:num_procs - 1)) @@ -65,7 +64,6 @@ contains integer :: i !< Generic loop iterator integer :: ierr !< Generic flag used to identify and report MPI errors ! Logistics - call MPI_BCAST(case_dir, len(case_dir), MPI_CHARACTER, 0, MPI_COMM_WORLD, ierr) #:for VAR in [ 'm', 'n', 'p', 'm_glb', 'n_glb', 'p_glb', & @@ -87,11 +85,22 @@ contains & 'adv_n', 'ib', 'cfl_adap_dt', 'cfl_const_dt', 'cfl_dt', & & 'surface_tension', 'hyperelasticity', 'bubbles_lagrange', & & 'output_partial_domain', 'relativity', 'cont_damage', 'bc_io', & - & 'down_sample','fft_wrt', 'hyper_cleaning', 'ib_state_wrt'] + & 'down_sample','fft_wrt', 'hyper_cleaning', 'ib_state_wrt', & + & 'particles_lagrange' ] call MPI_BCAST(${VAR}$, 1, MPI_LOGICAL, 0, MPI_COMM_WORLD, ierr) #:endfor if (bubbles_lagrange) then + #:for VAR in ['lag_header', 'lag_txt_wrt', 'lag_db_wrt', 'lag_id_wrt', & + & 'lag_pos_wrt', 'lag_pos_prev_wrt', 'lag_vel_wrt', 'lag_rad_wrt', & + & 'lag_rvel_wrt', 'lag_r0_wrt', 'lag_rmax_wrt', 'lag_rmin_wrt', & + & 'lag_dphidt_wrt', 'lag_pres_wrt', 'lag_mv_wrt', 'lag_mg_wrt', & + & 'lag_betaT_wrt', 'lag_betaC_wrt'] + call MPI_BCAST(${VAR}$, 1, MPI_LOGICAL, 0, MPI_COMM_WORLD, ierr) + #:endfor + end if + + if (particles_lagrange) then #:for VAR in ['lag_header', 'lag_txt_wrt', 'lag_db_wrt', 'lag_id_wrt', & & 'lag_pos_wrt', 'lag_pos_prev_wrt', 'lag_vel_wrt', 'lag_rad_wrt', & & 'lag_rvel_wrt', 'lag_r0_wrt', 'lag_rmax_wrt', 'lag_rmin_wrt', & @@ -127,6 +136,13 @@ contains #:endfor end if + ! Subgrid particle parameters + if (particles_lagrange) then + #:for VAR in ['rho0ref_particle','cp_particle'] + call MPI_BCAST(particle_pp%${VAR}$, 1, mpi_p, 0, MPI_COMM_WORLD, ierr) + #:endfor + end if + #:for VAR in [ 'pref', 'rhoref', 'R0ref', 'poly_sigma', 'Web', 'Ca', & & 'Re_inv', 'Bx0', 'sigma', 't_save', 't_stop', & & 'x_output%beg', 'x_output%end', 'y_output%beg', & @@ -148,7 +164,6 @@ contains real(wp) :: ext_temp(0:num_procs - 1) ! Simulation is 3D - if (p > 0) then if (grid_geometry == 3) then ! Minimum spatial extent in the r-direction @@ -236,7 +251,6 @@ contains #ifdef MFC_MPI integer :: ierr !< Generic flag used to identify and report MPI errors ! Silo-HDF5 database format - if (format == 1) then call MPI_GATHERV(x_cc(0), m + 1, mpi_p, x_root_cc(0), recvcounts, displs, mpi_p, 0, MPI_COMM_WORLD, ierr) @@ -296,7 +310,6 @@ contains integer :: ierr !< Generic flag used to identify and report MPI errors ! Gathering the sub-domain flow variable data from all the processes and putting it back together for the entire ! computational domain on the process with rank 0 - call MPI_GATHERV(q_sf(0), m + 1, mpi_p, q_root_sf(0), recvcounts, displs, mpi_p, 0, MPI_COMM_WORLD, ierr) #endif diff --git a/src/post_process/m_start_up.fpp b/src/post_process/m_start_up.fpp index c65e4cf7cf..25a64a0597 100644 --- a/src/post_process/m_start_up.fpp +++ b/src/post_process/m_start_up.fpp @@ -70,7 +70,8 @@ contains & bubbles_lagrange, sim_data, hyperelasticity, Bx0, relativity, cont_damage, hyper_cleaning, num_bc_patches, igr, & & igr_order, down_sample, recon_type, muscl_order, lag_header, lag_txt_wrt, lag_db_wrt, lag_id_wrt, lag_pos_wrt, & & lag_pos_prev_wrt, lag_vel_wrt, lag_rad_wrt, lag_rvel_wrt, lag_r0_wrt, lag_rmax_wrt, lag_rmin_wrt, lag_dphidt_wrt, & - & lag_pres_wrt, lag_mv_wrt, lag_mg_wrt, lag_betaT_wrt, lag_betaC_wrt, alpha_rho_e_wrt, ib_state_wrt + & lag_pres_wrt, lag_mv_wrt, lag_mg_wrt, lag_betaT_wrt, lag_betaC_wrt, alpha_rho_e_wrt, ib_state_wrt, & + & particles_lagrange, particle_pp file_loc = 'post_process.inp' inquire (FILE=trim(file_loc), EXIST=file_check) @@ -724,8 +725,7 @@ contains end if end if - if (bubbles_lagrange) then - ! Void fraction field + if (bubbles_lagrange .or. particles_lagrange) then q_sf(:,:,:) = 1._wp - q_cons_vf(beta_idx)%sf(-offset_x%beg:m + offset_x%end,-offset_y%beg:n + offset_y%end, & & -offset_z%beg:p + offset_z%end) write (varname, '(A)') 'voidFraction' @@ -839,6 +839,9 @@ contains if (bubbles_euler .or. bubbles_lagrange) then call s_initialize_bubbles_model() end if + if (particles_lagrange) then + call s_initialize_particles_model() + end if if (num_procs > 1) then call s_initialize_mpi_proxy_module() call s_initialize_mpi_common_module() diff --git a/src/pre_process/m_global_parameters.fpp b/src/pre_process/m_global_parameters.fpp index 077262aece..6ec72b7034 100644 --- a/src/pre_process/m_global_parameters.fpp +++ b/src/pre_process/m_global_parameters.fpp @@ -41,14 +41,19 @@ module m_global_parameters integer :: num_vels !< Number of velocity components (different from num_dims for mhd) logical :: cyl_coord integer :: grid_geometry !< Cylindrical coordinates (either axisymmetric or full 3D) + !> Locations of cell-centers (cc) in x-, y- and z-directions, respectively real(wp), allocatable, dimension(:) :: x_cc, y_cc, z_cc + !> Locations of cell-boundaries (cb) in x-, y- and z-directions, respectively real(wp), allocatable, dimension(:) :: x_cb, y_cb, z_cb real(wp) :: dx, dy, dz !< Minimum cell-widths in the x-, y- and z-coordinate directions type(bounds_info) :: x_domain, y_domain, z_domain !< Locations of the domain bounds in the x-, y- and z-coordinate directions logical :: stretch_x, stretch_y, stretch_z !< Grid stretching flags for the x-, y- and z-coordinate directions - ! Grid stretching: a_x/a_y/a_z = rate, x_a/y_a/z_a = location + + ! Parameters of the grid stretching function for the x-, y- and z-coordinate directions. The "a" parameters are a measure of the + ! rate at which the grid is stretched while the remaining parameters are indicative of the location on the grid at which the + ! stretching begins. real(wp) :: a_x, a_y, a_z integer :: loops_x, loops_y, loops_z real(wp) :: x_a, y_a, z_a @@ -81,6 +86,7 @@ module m_global_parameters logical :: igr !< Use information geometric regularization integer :: igr_order !< IGR reconstruction order logical, parameter :: chemistry = .${chemistry}$. !< Chemistry modeling + ! Annotations of the structure, i.e. the organization, of the state vectors type(int_bounds_info) :: cont_idx !< Indexes of first & last continuity eqns. type(int_bounds_info) :: mom_idx !< Indexes of first & last momentum eqns. @@ -99,42 +105,68 @@ module m_global_parameters type(int_bounds_info) :: species_idx !< Indexes of first & last concentration eqns. integer :: damage_idx !< Index of damage state variable (D) for continuum damage model integer :: psi_idx !< Index of hyperbolic cleaning state variable for MHD + ! Cell Indices for the (local) interior points (O-m, O-n, 0-p). Stands for "InDices With BUFFer". type(int_bounds_info) :: idwint(1:3) - ! Cell indices (InDices With BUFFer): includes buffer except in pre_process - type(int_bounds_info) :: idwbuff(1:3) - type(int_bounds_info) :: bc_x, bc_y, bc_z !< Boundary conditions in the x-, y- and z-coordinate directions - integer :: shear_num !< Number of shear stress components - integer, dimension(3) :: shear_indices !< Indices of the stress components that represent shear stress - integer :: shear_BC_flip_num !< Number of shear stress components to reflect for boundary conditions - integer, dimension(3, 2) :: shear_BC_flip_indices !< Shear stress BC reflection indices (1:3, 1:shear_BC_flip_num) - logical :: parallel_io !< Format of the data files - logical :: file_per_process !< type of data output - integer :: precision !< Precision of output files - logical :: down_sample !< Down-sample the output data - logical :: mixlayer_vel_profile !< Set hyperbolic tangent streamwise velocity profile - real(wp) :: mixlayer_vel_coef !< Coefficient for the hyperbolic tangent streamwise velocity profile - logical :: mixlayer_perturb !< Superimpose instability waves to surrounding fluid flow - integer :: mixlayer_perturb_nk !< Number of Fourier modes for perturbation with mixlayer_perturb flag - real(wp) :: mixlayer_perturb_k0 !< Peak wavenumber for mixlayer perturbation (default: most unstable mode) + ! Cell Indices for the entire (local) domain. In simulation and post_process, this includes the buffer region. idwbuff and + ! idwint are the same otherwise. Stands for "InDices With BUFFer". + type(int_bounds_info) :: idwbuff(1:3) + + !> The order of the finite-difference (fd) approximations of the first-order derivatives that need to be evaluated when the CoM + !! or flow probe data files are to be written at each time step + integer :: fd_order + + !> The finite-difference number is given by MAX(1, fd_order/2). Essentially, it is a measure of the half-size of the + !! finite-difference stencil for the selected order of accuracy. + integer :: fd_number + + !> @name lagrangian subgrid bubble parameters + !> @{! + type(bubbles_lagrange_parameters) :: lag_params !< Lagrange bubbles' parameters + !> @} + + type(int_bounds_info) :: bc_x, bc_y, bc_z !< Boundary conditions in the x-, y- and z-coordinate directions + integer :: shear_num !< Number of shear stress components + integer, dimension(3) :: shear_indices !< Indices of the stress components that represent shear stress + integer :: shear_BC_flip_num !< Number of shear stress components to reflect for boundary conditions + !> Indices of shear stress components to reflect for boundary conditions. Size: (1:3, 1:shear_BC_flip_num) for (x/y/z, + !! [indices]) + integer, dimension(3, 2) :: shear_BC_flip_indices !< Shear stress BC reflection indices (1:3, 1:shear_BC_flip_num) + logical :: parallel_io !< Format of the data files + logical :: file_per_process !< type of data output + integer :: precision !< Precision of output files + logical :: down_sample !< Down-sample the output data + logical :: mixlayer_vel_profile !< Set hyperbolic tangent streamwise velocity profile + real(wp) :: mixlayer_vel_coef !< Coefficient for the hyperbolic tangent streamwise velocity profile + logical :: mixlayer_perturb !< Superimpose instability waves to surrounding fluid flow + integer :: mixlayer_perturb_nk !< Number of Fourier modes for perturbation with mixlayer_perturb flag + !> Peak wavenumber of prescribed energy spectra with mixlayer_perturb flag Default value (k0 = 0.4446) is most unstable mode + !! obtained from linear stability analysis See Michalke (1964, JFM) for details + real(wp) :: mixlayer_perturb_k0 !< Peak wavenumber for mixlayer perturbation (default: most unstable mode) logical :: simplex_perturb type(simplex_noise_params) :: simplex_params - real(wp) :: pi_fac !< Factor for artificial pi_inf + real(wp) :: pi_fac !< Factor for artificial pi_inf logical :: viscous logical :: bubbles_lagrange + logical :: particles_lagrange ! Perturb density of surrounding air so as to break symmetry of grid - logical :: perturb_flow - integer :: perturb_flow_fluid !< Fluid to be perturbed with perturb_flow flag - real(wp) :: perturb_flow_mag !< Magnitude of perturbation with perturb_flow flag - logical :: perturb_sph - integer :: perturb_sph_fluid !< Fluid to be perturbed with perturb_sph flag - real(wp), dimension(num_fluids_max) :: fluid_rho - logical :: elliptic_smoothing - integer :: elliptic_smoothing_iters - integer, allocatable, dimension(:) :: proc_coords !< Processor coordinates in MPI_CART_COMM - integer, allocatable, dimension(:) :: start_idx !< Starting cell-center index of local processor in global grid + logical :: perturb_flow + integer :: perturb_flow_fluid !< Fluid to be perturbed with perturb_flow flag + real(wp) :: perturb_flow_mag !< Magnitude of perturbation with perturb_flow flag + logical :: perturb_sph + integer :: perturb_sph_fluid !< Fluid to be perturbed with perturb_sph flag + real(wp), dimension(num_fluids_max) :: fluid_rho + logical :: elliptic_smoothing + integer :: elliptic_smoothing_iters + integer, allocatable, dimension(:) :: proc_coords !< Processor coordinates in MPI_CART_COMM + type(int_bounds_info), dimension(3) :: nidx + integer, allocatable, dimension(:,:,:) :: neighbor_ranks + !! Neighbor ranks + + integer, allocatable, dimension(:) :: start_idx !< Starting cell-center index of local processor in global grid + #ifdef MFC_MPI type(mpi_io_var), public :: MPI_IO_DATA character(LEN=name_len) :: mpiiofs @@ -142,18 +174,28 @@ module m_global_parameters #endif ! Initial Condition Parameters - integer :: num_patches !< Number of patches composing initial condition - type(ic_patch_parameters), dimension(num_patches_max) :: patch_icpp !< IC patch parameters (max: num_patches_max) - integer :: num_bc_patches !< Number of boundary condition patches - logical :: bc_io !< whether or not to save BC data - type(bc_patch_parameters), dimension(num_bc_patches_max) :: patch_bc !< Boundary condition patch parameters + integer :: num_patches !< Number of patches composing initial condition + + !> Database of the initial condition patch parameters (icpp) for each of the patches employed in the configuration of the + !! initial condition. Note that the maximum allowable number of patches, num_patches_max, may be changed in the module + !! m_derived_types.f90. + type(ic_patch_parameters), dimension(num_patches_max) :: patch_icpp !< IC patch parameters (max: num_patches_max) + integer :: num_bc_patches !< Number of boundary condition patches + logical :: bc_io !< whether or not to save BC data + !> Boundary condition patch parameters Database of the boundary condition patch parameters for each of the patches employed in + !! the configuration of the boundary conditions + type(bc_patch_parameters), dimension(num_bc_patches_max) :: patch_bc ! Fluids Physical Parameters + !> Database of the physical parameters of each of the fluids that is present in the flow. These include the stiffened gas + !! equation of state parameters, and the Reynolds numbers. type(physical_parameters), dimension(num_fluids_max) :: fluid_pp !< Stiffened gas EOS parameters and Reynolds numbers per fluid + ! Subgrid Bubble Parameters - type(subgrid_bubble_physical_parameters) :: bub_pp - real(wp) :: rhoref, pref !< Reference parameters for Tait EOS - type(chemistry_parameters) :: chem_params + type(subgrid_bubble_physical_parameters) :: bub_pp + type(subgrid_particle_physical_parameters) :: particle_pp + real(wp) :: rhoref, pref !< Reference parameters for Tait EOS + type(chemistry_parameters) :: chem_params !> @name Bubble modeling !> @{ integer :: nb @@ -173,6 +215,9 @@ module m_global_parameters integer :: Np type(ib_patch_parameters), dimension(num_patches_max) :: patch_ib !< Immersed boundary patch parameters type(vec3_dt), allocatable, dimension(:) :: airfoil_grid_u, airfoil_grid_l + !! Database of the immersed boundary patch parameters for each of the patches employed in the configuration of the initial + !! condition. Note that the maximum allowable number of patches, num_patches_max, may be changed in the module + !! m_derived_types.f90. !> @} !> @name Non-polytropic bubble gas compression @@ -187,6 +232,9 @@ module m_global_parameters real(wp), dimension(:), allocatable :: pb0, mass_g0, mass_v0, Pe_T, k_v, k_g real(wp), dimension(:), allocatable :: Re_trans_T, Re_trans_c, Im_trans_T, Im_trans_c, omegaN real(wp) :: R0ref, p0ref, rho0ref, T0ref, ss, pv, vd, mu_l, mu_v, mu_g, gam_v, gam_g, M_v, M_g, cp_v, cp_g, R_v, R_g + + ! Solid particle physical parameters + real(wp) :: cp_particle, rho0ref_particle !> @} !> @name Surface Tension Modeling @@ -210,10 +258,20 @@ module m_global_parameters integer, allocatable, dimension(:,:,:) :: logic_grid type(pres_field) :: pb type(pres_field) :: mv - real(wp) :: Bx0 !< Constant magnetic field in the x-direction (1D) - integer :: buff_size !< Number of ghost cells for boundary condition storage - logical :: fft_wrt - logical :: dummy !< AMDFlang workaround for case-optimization + GPU-kernel bug + real(wp) :: Bx0 !< Constant magnetic field in the x-direction (1D) + + !> The number of cells that are necessary to be able to store enough boundary conditions data to march the solution in the + !! physical computational domain to the next time-step. + integer :: buff_size !< Number of ghost cells for boundary condition storage + integer, allocatable :: beta_vars(:) !< Indices of variables to communicate for bubble/particle coupling + logical :: fft_wrt + !> AMDFlang workaround: keep a dummy logical to avoid a compiler case-optimization bug when a parameter+GPU-kernel conditional + !! is false + logical :: dummy !< AMDFlang workaround for case-optimization + GPU-kernel bug + + ! Variables for hardcoded initial conditions that are read from input files + character(LEN=2*path_len) :: interface_file + real(wp) :: normFac, normMag, g0_ic, p0_ic contains @@ -222,6 +280,7 @@ contains impure subroutine s_assign_default_values_to_user_inputs integer :: i !< Generic loop operator + ! Logistics case_dir = '.' @@ -322,6 +381,8 @@ contains elliptic_smoothing_iters = dflt_int elliptic_smoothing = .false. + particles_lagrange = .false. + fft_wrt = .false. dummy = .false. @@ -338,6 +399,28 @@ contains ! Initial condition parameters num_patches = dflt_int + fd_order = dflt_int + lag_params%cluster_type = dflt_int + lag_params%pressure_corrector = .false. + lag_params%smooth_type = dflt_int + lag_params%heatTransfer_model = .false. + lag_params%massTransfer_model = .false. + lag_params%write_bubbles = .false. + lag_params%write_bubbles_stats = .false. + lag_params%nBubs_glb = dflt_int + lag_params%vel_model = dflt_int + lag_params%drag_model = dflt_int + lag_params%epsilonb = 1._wp + lag_params%charwidth = dflt_real + lag_params%nParticles_glb = dflt_int + lag_params%qs_drag_model = dflt_int + lag_params%stokes_drag = dflt_int + lag_params%added_mass_model = dflt_int + lag_params%interpolation_order = dflt_int + lag_params%charNz = dflt_int + lag_params%valmaxvoid = dflt_real + lag_params%mu_ref = dflt_real + do i = 1, num_patches_max patch_icpp(i)%geometry = dflt_int patch_icpp(i)%model_scale(:) = 1._wp @@ -540,6 +623,14 @@ contains bub_pp%R_v = dflt_real; R_v = dflt_real bub_pp%R_g = dflt_real; R_g = dflt_real + ! Subgrid particle parameters + particle_pp%rho0ref_particle = dflt_real + particle_pp%cp_particle = dflt_real + particle_pp%ksp_col = dflt_real + particle_pp%nu_col = dflt_real + particle_pp%E_col = dflt_real + particle_pp%cor_col = dflt_real + end subroutine s_assign_default_values_to_user_inputs !> Computation of parameters, allocation procedures, and/or any other tasks needed to properly setup the module @@ -797,6 +888,14 @@ contains end if end if + if (bubbles_lagrange) then + allocate (beta_vars(1:3)) + beta_vars(1:3) = [1, 2, 5] + else if (particles_lagrange) then + allocate (beta_vars(1:7)) + beta_vars(1:7) = [1, 2, 3, 4, 5, 6, 7] + end if + if (chemistry) then species_idx%beg = sys_size + 1 species_idx%end = sys_size + num_species @@ -820,8 +919,10 @@ contains chemxb = species_idx%beg chemxe = species_idx%end + if (bubbles_lagrange .or. particles_lagrange) fd_number = max(1, fd_order/2) + call s_configure_coordinate_bounds(recon_type, weno_polyn, muscl_polyn, igr_order, buff_size, idwint, idwbuff, viscous, & - & bubbles_lagrange, m, n, p, num_dims, igr, ib) + & bubbles_lagrange, particles_lagrange, m, n, p, num_dims, igr, ib, fd_number) #ifdef MFC_MPI if (qbmm .and. .not. polytropic) then @@ -870,7 +971,7 @@ contains end subroutine s_initialize_global_parameters_module - !> Configure MPI parallel I/O settings and allocate processor coordinate arrays. + !> @brief Configures MPI parallel I/O settings and allocates processor coordinate arrays. impure subroutine s_initialize_parallel_io #ifdef MFC_MPI @@ -904,7 +1005,7 @@ contains end subroutine s_initialize_parallel_io - !> Deallocate all global grid, index, and equation-of-state parameter arrays. + !> @brief Deallocates all global grid, index, and equation-of-state parameter arrays. impure subroutine s_finalize_global_parameters_module integer :: i @@ -934,6 +1035,9 @@ contains end if #endif + if (allocated(neighbor_ranks)) deallocate (neighbor_ranks) + if (allocated(beta_vars)) deallocate (beta_vars) + end subroutine s_finalize_global_parameters_module end module m_global_parameters diff --git a/src/pre_process/m_mpi_proxy.fpp b/src/pre_process/m_mpi_proxy.fpp index e9545ce865..ae82433156 100644 --- a/src/pre_process/m_mpi_proxy.fpp +++ b/src/pre_process/m_mpi_proxy.fpp @@ -33,7 +33,7 @@ contains & 'perturb_sph_fluid', 'num_patches', 'thermal', 'nb', 'dist_type',& & 'relax_model', 'num_ibs', 'n_start', 'elliptic_smoothing_iters', & & 'num_bc_patches', 'mixlayer_perturb_nk', 'recon_type', & - & 'muscl_order', 'igr_order' ] + & 'muscl_order', 'igr_order', 'fd_order'] call MPI_BCAST(${VAR}$, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr) #:endfor @@ -45,7 +45,8 @@ contains & 'cfl_const_dt', 'cfl_dt', 'surface_tension', & & 'hyperelasticity', 'pre_stress', 'elliptic_smoothing', 'viscous',& & 'bubbles_lagrange', 'bc_io', 'mhd', 'relativity', 'cont_damage', & - & 'igr', 'down_sample', 'simplex_perturb','fft_wrt', 'hyper_cleaning' ] + & 'igr', 'down_sample', 'simplex_perturb','fft_wrt', 'hyper_cleaning',& + & 'particles_lagrange' ] call MPI_BCAST(${VAR}$, 1, MPI_LOGICAL, 0, MPI_COMM_WORLD, ierr) #:endfor call MPI_BCAST(fluid_rho(1), num_fluids_max, mpi_p, 0, MPI_COMM_WORLD, ierr) @@ -133,6 +134,21 @@ contains #:endfor end do + ! Variables from input files for hardcoded patches + call MPI_BCAST(interface_file, len(interface_file), MPI_CHARACTER, 0, MPI_COMM_WORLD, ierr) + call MPI_BCAST(normFac, 1, mpi_p, 0, MPI_COMM_WORLD, ierr) + call MPI_BCAST(normMag, 1, mpi_p, 0, MPI_COMM_WORLD, ierr) + call MPI_BCAST(g0_ic, 1, mpi_p, 0, MPI_COMM_WORLD, ierr) + call MPI_BCAST(p0_ic, 1, mpi_p, 0, MPI_COMM_WORLD, ierr) + + if (bubbles_euler .or. bubbles_lagrange) then + #:for VAR in [ 'R0ref','p0ref','rho0ref','T0ref', & + 'ss','pv','vd','mu_l','mu_v','mu_g','gam_v','gam_g', & + 'M_v','M_g','k_v','k_g','cp_v','cp_g','R_v','R_g'] + call MPI_BCAST(bub_pp%${VAR}$, 1, mpi_p, 0, MPI_COMM_WORLD, ierr) + #:endfor + end if + ! Simplex noise and fluid physical parameters do i = 1, num_fluids_max #:for VAR in [ 'gamma','pi_inf', 'G', 'cv', 'qv', 'qvp' ] @@ -147,15 +163,7 @@ contains call MPI_BCAST(simplex_params%perturb_dens_offset(i, j), 1, mpi_p, 0, MPI_COMM_WORLD, ierr) end do end do - ! Subgrid bubble parameters - if (bubbles_euler .or. bubbles_lagrange) then - #:for VAR in [ 'R0ref','p0ref','rho0ref','T0ref', & - 'ss','pv','vd','mu_l','mu_v','mu_g','gam_v','gam_g', & - 'M_v','M_g','k_v','k_g','cp_v','cp_g','R_v','R_g'] - call MPI_BCAST(bub_pp%${VAR}$, 1, mpi_p, 0, MPI_COMM_WORLD, ierr) - #:endfor - end if do i = 1, 3 call MPI_BCAST(simplex_params%perturb_vel(i), 1, MPI_LOGICAL, 0, MPI_COMM_WORLD, ierr) diff --git a/src/pre_process/m_start_up.fpp b/src/pre_process/m_start_up.fpp index a3a7c51270..551224dd6d 100644 --- a/src/pre_process/m_start_up.fpp +++ b/src/pre_process/m_start_up.fpp @@ -84,7 +84,8 @@ contains & ptgalpha_eps, ib, num_ibs, patch_ib, sigma, adv_n, cfl_adap_dt, cfl_const_dt, n_start, n_start_old, & & surface_tension, hyperelasticity, pre_stress, elliptic_smoothing, elliptic_smoothing_iters, viscous, & & bubbles_lagrange, num_bc_patches, patch_bc, Bx0, relativity, cont_damage, igr, igr_order, down_sample, recon_type, & - & muscl_order, hyper_cleaning, simplex_perturb, simplex_params, fft_wrt + & muscl_order, fft_wrt, fd_order, lag_params, simplex_perturb, simplex_params, interface_file, normFac, normMag, & + & g0_ic, p0_ic, hyper_cleaning, particles_lagrange, particle_pp file_loc = 'pre_process.inp' inquire (FILE=trim(file_loc), EXIST=file_check) @@ -489,6 +490,9 @@ contains if (bubbles_euler .or. bubbles_lagrange) then call s_initialize_bubbles_model() end if + if (particles_lagrange) then + call s_initialize_particles_model() + end if call s_initialize_mpi_common_module() call s_initialize_data_output_module() call s_initialize_variables_conversion_module() diff --git a/src/simulation/m_bubbles.fpp b/src/simulation/m_bubbles.fpp index 2ff5952827..b8f22aa318 100644 --- a/src/simulation/m_bubbles.fpp +++ b/src/simulation/m_bubbles.fpp @@ -13,6 +13,7 @@ module m_bubbles use m_mpi_proxy use m_variables_conversion use m_helper_basic + use m_bubbles_EL_kernels implicit none @@ -24,7 +25,7 @@ module m_bubbles contains !> Compute the bubble radial acceleration based on the selected bubble model - elemental function f_rddot(fRho, fP, fR, fV, fR0, fpb, fpbdot, alf, fntait, fBtait, f_bub_adv_src, f_divu, fCson) + function f_rddot(fRho, fP, fR, fV, fR0, fpb, fpbdot, alf, fntait, fBtait, f_bub_adv_src, f_divu, fCson) $:GPU_ROUTINE(parallelism='[seq]') real(wp), intent(in) :: fRho, fP, fR, fV, fR0, fpb, fpbdot, alf @@ -64,7 +65,7 @@ contains end function f_rddot !> Bubble wall pressure: stiffened gas with Laplace pressure and viscous stress - elemental function f_cpbw(fR0, fR, fV, fpb) + function f_cpbw(fR0, fR, fV, fpb) $:GPU_ROUTINE(parallelism='[seq]') real(wp), intent(in) :: fR0, fR, fV, fpb @@ -79,7 +80,7 @@ contains end function f_cpbw !> Compute the bubble enthalpy - elemental function f_H(fCpbw, fCpinf, fntait, fBtait) + function f_H(fCpbw, fCpinf, fntait, fBtait) $:GPU_ROUTINE(parallelism='[seq]') real(wp), intent(in) :: fCpbw, fCpinf, fntait, fBtait @@ -95,7 +96,7 @@ contains end function f_H !> Compute the sound speed for the bubble - elemental function f_cgas(fCpinf, fntait, fBtait, fH) + function f_cgas(fCpinf, fntait, fBtait, fH) $:GPU_ROUTINE(parallelism='[seq]') real(wp), intent(in) :: fCpinf, fntait, fBtait, fH @@ -111,7 +112,7 @@ contains end function f_cgas !> Compute the time derivative of the driving pressure - elemental function f_cpinfdot(fRho, fP, falf, fntait, fBtait, advsrc, divu) + function f_cpinfdot(fRho, fP, falf, fntait, fBtait, advsrc, divu) $:GPU_ROUTINE(parallelism='[seq]') real(wp), intent(in) :: fRho, fP, falf, fntait, fBtait, advsrc, divu @@ -131,7 +132,7 @@ contains end function f_cpinfdot !> Enthalpy derivative for Gilmore bubble model, Gilmore (1952) - elemental function f_Hdot(fCpbw, fCpinf, fCpinf_dot, fntait, fBtait, fR, fV, fR0, fpbdot) + function f_Hdot(fCpbw, fCpinf, fCpinf_dot, fntait, fBtait, fR, fV, fR0, fpbdot) $:GPU_ROUTINE(parallelism='[seq]') real(wp), intent(in) :: fCpbw, fCpinf, fCpinf_dot, fntait, fBtait @@ -153,7 +154,7 @@ contains end function f_Hdot !> Rayleigh-Plesset bubble radial acceleration - elemental function f_rddot_RP(fCp, fRho, fR, fV, fCpbw) + function f_rddot_RP(fCp, fRho, fR, fV, fCpbw) $:GPU_ROUTINE(parallelism='[seq]') real(wp), intent(in) :: fCp, fRho, fR, fV, fCpbw @@ -164,7 +165,7 @@ contains end function f_rddot_RP !> Compute the Gilmore bubble radial acceleration - elemental function f_rddot_G(fCpbw, fR, fV, fH, fHdot, fcgas, fntait, fBtait) + function f_rddot_G(fCpbw, fR, fV, fH, fHdot, fcgas, fntait, fBtait) $:GPU_ROUTINE(parallelism='[seq]') real(wp), intent(in) :: fCpbw, fR, fV, fH, fHdot @@ -181,7 +182,7 @@ contains end function f_rddot_G !> Keller-Miksis bubble wall pressure - elemental function f_cpbw_KM(fR0, fR, fV, fpb) + function f_cpbw_KM(fR0, fR, fV, fpb) $:GPU_ROUTINE(parallelism='[seq]') real(wp), intent(in) :: fR0, fR, fV, fpb @@ -200,7 +201,7 @@ contains end function f_cpbw_KM !> Keller-Miksis bubble radial acceleration - elemental function f_rddot_KM(fpbdot, fCp, fCpbw, fRho, fR, fV, fR0, fC) + function f_rddot_KM(fpbdot, fCp, fCpbw, fRho, fR, fV, fR0, fC) $:GPU_ROUTINE(parallelism='[seq]') real(wp), intent(in) :: fpbdot, fCp, fCpbw @@ -229,7 +230,7 @@ contains end function f_rddot_KM !> Compute bubble wall properties for vapor bubbles - elemental subroutine s_bwproperty(pb_in, iR0, chi_vw_out, k_mw_out, rho_mw_out) + subroutine s_bwproperty(pb_in, iR0, chi_vw_out, k_mw_out, rho_mw_out) $:GPU_ROUTINE(parallelism='[seq]') real(wp), intent(in) :: pb_in @@ -250,7 +251,7 @@ contains end subroutine s_bwproperty !> Compute the vapour flux - elemental subroutine s_vflux(fR, fV, fpb, fmass_v, iR0, vflux, fmass_g, fbeta_c, fR_m, fgamma_m) + subroutine s_vflux(fR, fV, fpb, fmass_v, iR0, vflux, fmass_g, fbeta_c, fR_m, fgamma_m) $:GPU_ROUTINE(parallelism='[seq]') real(wp), intent(in) :: fR @@ -298,8 +299,9 @@ contains end subroutine s_vflux !> Compute the time derivative of the internal bubble pressure - elemental function f_bpres_dot(fvflux, fR, fV, fpb, fmass_v, iR0, fbeta_t, fR_m, fgamma_m) + function f_bpres_dot(fvflux, fR, fV, fpb, fmass_v, iR0, fbeta_t, fR_m, fgamma_m) + !$DIR INLINENEVER f_bpres_dot $:GPU_ROUTINE(parallelism='[seq]') real(wp), intent(in) :: fvflux real(wp), intent(in) :: fR @@ -332,25 +334,29 @@ contains !> Adaptive time stepping routine for subgrid bubbles (See Heirer, E. Hairer S.P.Norsett G. Wanner, Solving Ordinary !! Differential Equations I, Chapter II.4) - subroutine s_advance_step(fRho, fP, fR, fV, fR0, fpb, fpbdot, alf, fntait, fBtait, f_bub_adv_src, f_divu, bub_id, fmass_v, & - - & fmass_g, fbeta_c, fbeta_t, fCson, adap_dt_stop) - $:GPU_ROUTINE(function_name='s_advance_step',parallelism='[seq]', cray_inline=True) + function f_advance_step(fRho, fP, fR, fV, fR0, fpb, fpbdot, alf, fntait, fBtait, f_bub_adv_src, f_divu, bub_id, fmass_v, & + & fmass_g, fbeta_c, fbeta_t, fCson, fRe, fPos, fVel, cell, q_prim_vf) result(adap_dt_stop) + $:GPU_ROUTINE(parallelism='[seq]') - real(wp), intent(inout) :: fR, fV, fpb, fmass_v - real(wp), intent(in) :: fRho, fP, fR0, fpbdot, alf - real(wp), intent(in) :: fntait, fBtait, f_bub_adv_src, f_divu - integer, intent(in) :: bub_id - real(wp), intent(in) :: fmass_g, fbeta_c, fbeta_t, fCson - integer, intent(inout) :: adap_dt_stop - real(wp), dimension(5) :: err !< Error estimates for adaptive time stepping - real(wp) :: t_new !< Updated time step size - real(wp) :: h0, h !< Time step size + real(wp), intent(inout) :: fR, fV, fpb, fmass_v + real(wp), intent(in) :: fRho, fP, fR0, fpbdot, alf + real(wp), intent(in) :: fntait, fBtait, f_bub_adv_src, f_divu + integer, intent(in) :: bub_id + real(wp), intent(in) :: fmass_g, fbeta_c, fbeta_t, fCson + real(wp), intent(inout), dimension(3), optional :: fPos, fVel + real(wp), intent(in), optional :: fRe + integer, intent(in), dimension(3), optional :: cell + type(scalar_field), intent(in), dimension(sys_size), optional :: q_prim_vf + real(wp), dimension(5) :: err !< Error estimates for adaptive time stepping + real(wp) :: t_new !< Updated time step size + real(wp) :: h0, h !< Time step size !> Bubble radius, radial velocity, and radial acceleration for the inner loop real(wp), dimension(4) :: myR_tmp1, myV_tmp1, myR_tmp2, myV_tmp2 real(wp), dimension(4) :: myPb_tmp1, myMv_tmp1, myPb_tmp2, myMv_tmp2 !< Gas pressure and vapor mass for the inner loop (EL) - real(wp) :: fR2, fV2, fpb2, fmass_v2 - integer :: iter_count + real(wp) :: fR2, fV2, fpb2, fmass_v2, f_bTemp + real(wp), dimension(3) :: vTemp, aTemp + integer :: adap_dt_stop + integer :: l, iter_count call s_initial_substep_h(fRho, fP, fR, fV, fR0, fpb, fpbdot, alf, fntait, fBtait, f_bub_adv_src, f_divu, fCson, h0) h = h0 @@ -416,6 +422,42 @@ contains ! Update pb and mass_v fpb = myPb_tmp1(4) fmass_v = myMv_tmp1(4) + + select case (lag_vel_model) + case (1) + do l = 1, num_dims + vTemp(l) = f_interpolate_velocity(fR, cell, l, q_prim_vf) + end do + do l = 1, num_dims + fVel(l) = vTemp(l) + fPos(l) = fPos(l) + h*vTemp(l) + end do + case (2) + do l = 1, num_dims + f_bTemp = f_get_bubble_force(fPos(l), fR, fV, fVel(l), fmass_g, fmass_v, fRe, fRho, cell, l, & + & q_prim_vf) + aTemp(l) = f_bTemp/(fmass_g + fmass_v) + end do + do l = 1, num_dims + fVel(l) = fVel(l) + h*aTemp(l) + fPos(l) = fPos(l) + h*fVel(l) + end do + case (3) + do l = 1, num_dims + f_bTemp = f_get_bubble_force(fPos(l), fR, fV, fVel(l), fmass_g, fmass_v, fRe, fRho, cell, l, & + & q_prim_vf) + aTemp(l) = 2._wp*f_bTemp/(fmass_g + fmass_v) - 3._wp*fV*fVel(l)/fR + end do + do l = 1, num_dims + fVel(l) = fVel(l) + h*aTemp(l) + fPos(l) = fPos(l) + h*fVel(l) + end do + case default + do l = 1, num_dims + fVel(l) = fVel(l) + fPos(l) = fPos(l) + end do + end select end if ! Update step size for the next sub-step @@ -438,7 +480,7 @@ contains if (iter_count >= adap_dt_max_iters) adap_dt_stop = 1 - end subroutine s_advance_step + end function f_advance_step !> Choose the initial time step size for the adaptive time stepping routine (See Heirer, E. Hairer S.P.Norsett G. Wanner, !! Solving Ordinary Differential Equations I, Chapter II.4) @@ -577,7 +619,8 @@ contains end subroutine s_advance_substep !> Changes of pressure and vapor mass in the lagrange bubbles. - elemental subroutine s_advance_EL(fR_tmp, fV_tmp, fPb_tmp, fMv_tmp, bub_id, fmass_g, fbeta_c, fbeta_t, fdPbdt_tmp, advance_EL) + !! @param fdMvdt_tmp Rate of change of the mass of vapor in the bubble + subroutine s_advance_EL(fR_tmp, fV_tmp, fPb_tmp, fMv_tmp, bub_id, fmass_g, fbeta_c, fbeta_t, fdPbdt_tmp, advance_EL) $:GPU_ROUTINE(parallelism='[seq]') real(wp), intent(in) :: fR_tmp, fV_tmp, fPb_tmp, fMv_tmp diff --git a/src/simulation/m_bubbles_EE.fpp b/src/simulation/m_bubbles_EE.fpp index b2c5f1fd97..145fcf6e41 100644 --- a/src/simulation/m_bubbles_EE.fpp +++ b/src/simulation/m_bubbles_EE.fpp @@ -159,7 +159,7 @@ contains real(wp) :: nbub !< Bubble number density real(wp) :: my_divu integer :: i, j, k, l, q, ii !< Loop variables - integer :: adap_dt_stop_max, adap_dt_stop !< Fail-safe exit if max iteration count reached + integer :: adap_dt_stop_sum, adap_dt_stop !< Fail-safe exit if max iteration count reached integer :: dmBub_id !< Dummy variables for unified subgrid bubble subroutines real(wp) :: dmMass_v, dmMass_n, dmBeta_c, dmBeta_t, dmCson @@ -181,10 +181,10 @@ contains end do $:END_GPU_PARALLEL_LOOP() - adap_dt_stop_max = 0 + adap_dt_stop_sum = 0 $:GPU_PARALLEL_LOOP(private='[j, k, l, Rtmp, Vtmp, myalpha_rho, myalpha, myR, myV, alf, myP, myRho, R2Vav, R3, nbub, & - & pb_local, mv_local, vflux, pbdot, rddot, n_tait, B_tait, my_divu]', collapse=3, & - & reduction = '[[adap_dt_stop_max]]', reductionOp = '[MAX]', copy = '[adap_dt_stop_max]') + & pb_local, mv_local, vflux, pbdot, rddot, n_tait, B_tait, & + & my_divu]', collapse=3, copy='[adap_dt_stop_sum]') do l = 0, p do k = 0, n do j = 0, m @@ -272,24 +272,25 @@ contains pb_local = 0._wp; mv_local = 0._wp; vflux = 0._wp; pbdot = 0._wp end if + adap_dt_stop = 0 + ! Adaptive time stepping if (adap_dt) then - adap_dt_stop = 0 - - call s_advance_step(myRho, myP, myR, myV, R0(q), pb_local, pbdot, alf, n_tait, B_tait, & - & bub_adv_src(j, k, l), divu_in%sf(j, k, l), dmBub_id, dmMass_v, dmMass_n, & - & dmBeta_c, dmBeta_t, dmCson, adap_dt_stop) + adap_dt_stop = f_advance_step(myRho, myP, myR, myV, R0(q), pb_local, pbdot, alf, n_tait, B_tait, & + & bub_adv_src(j, k, l), divu_in%sf(j, k, l), dmBub_id, dmMass_v, & + & dmMass_n, dmBeta_c, dmBeta_t, dmCson) q_cons_vf(rs(q))%sf(j, k, l) = nbub*myR q_cons_vf(vs(q))%sf(j, k, l) = nbub*myV - - adap_dt_stop_max = max(adap_dt_stop_max, adap_dt_stop) else rddot = f_rddot(myRho, myP, myR, myV, R0(q), pb_local, pbdot, alf, n_tait, B_tait, bub_adv_src(j, & & k, l), divu_in%sf(j, k, l), dmCson) bub_v_src(j, k, l, q) = nbub*rddot bub_r_src(j, k, l, q) = q_cons_vf(vs(q))%sf(j, k, l) end if + + $:GPU_ATOMIC(atomic='update') + adap_dt_stop_sum = adap_dt_stop_sum + adap_dt_stop end if end do end do @@ -297,7 +298,7 @@ contains end do $:END_GPU_PARALLEL_LOOP() - if (adap_dt .and. adap_dt_stop_max > 0) call s_mpi_abort("Adaptive time stepping failed to converge.") + if (adap_dt .and. adap_dt_stop_sum > 0) call s_mpi_abort("Adaptive time stepping failed to converge.") if (.not. adap_dt) then $:GPU_PARALLEL_LOOP(private='[i, k, l, q]', collapse=3) diff --git a/src/simulation/m_bubbles_EL.fpp b/src/simulation/m_bubbles_EL.fpp index 437dbe0db2..768b939295 100644 --- a/src/simulation/m_bubbles_EL.fpp +++ b/src/simulation/m_bubbles_EL.fpp @@ -7,16 +7,19 @@ !> @brief Tracks Lagrangian bubbles and couples their dynamics to the Eulerian flow via volume averaging module m_bubbles_EL - use m_global_parameters - use m_mpi_proxy - use m_bubbles_EL_kernels - use m_bubbles - use m_variables_conversion + use m_global_parameters !< Definitions of the global parameters + use m_mpi_proxy !< Message passing interface (MPI) module proxy + use m_bubbles_EL_kernels !< Definitions of the kernel functions + use m_bubbles !< General bubble dynamics procedures + use m_variables_conversion !< State variables type conversion procedures use m_compile_specific use m_boundary_common - use m_helper_basic + use m_helper_basic !< Functions to compare floating point numbers use m_sim_helpers use m_helper + use m_mpi_common + use m_ibm + use m_finite_differences implicit none @@ -55,22 +58,34 @@ module m_bubbles_EL $:GPU_DECLARE(create='[intfc_draddt, intfc_dveldt, gas_dpdt, gas_dmvdt, mtn_dposdt, mtn_dveldt]') integer, private :: lag_num_ts !< Number of time stages in the time-stepping scheme + $:GPU_DECLARE(create='[lag_num_ts]') - integer :: nBubs !< Number of bubbles in the local domain - real(wp) :: Rmax_glb, Rmin_glb !< Maximum and minimum bubbe size in the local domain + real(wp) :: Rmax_glb, Rmin_glb !< Maximum and minimum bubble size in the local domain !> Projection of the lagrangian particles in the Eulerian framework type(scalar_field), dimension(:), allocatable :: q_beta + type(scalar_field), dimension(:), allocatable :: kahan_comp !< Kahan compensation for q_beta accumulation integer :: q_beta_idx !< Size of the q_beta vector field - $:GPU_DECLARE(create='[nBubs, Rmax_glb, Rmin_glb, q_beta, q_beta_idx]') + + $:GPU_DECLARE(create='[Rmax_glb, Rmin_glb, q_beta, kahan_comp, q_beta_idx]') + + integer, parameter :: LAG_EVOL_ID = 11 ! File id for lag_bubbles_evol_*.dat + integer, parameter :: LAG_STATS_ID = 12 ! File id for stats_lag_bubbles_*.dat + integer, parameter :: LAG_VOID_ID = 13 ! File id for voidfraction.dat + integer, allocatable, dimension(:) :: keep_bubble + integer, allocatable, dimension(:,:) :: wrap_bubble_loc, wrap_bubble_dir + $:GPU_DECLARE(create='[keep_bubble]') + $:GPU_DECLARE(create='[wrap_bubble_loc, wrap_bubble_dir]') contains !> Initializes the lagrangian subgrid bubble solver - impure subroutine s_initialize_bubbles_EL_module(q_cons_vf) + !! @param q_cons_vf Initial conservative variables + impure subroutine s_initialize_bubbles_EL_module(q_cons_vf, bc_type) - type(scalar_field), dimension(sys_size), intent(inout) :: q_cons_vf - integer :: nBubs_glb, i + type(scalar_field), dimension(sys_size), intent(inout) :: q_cons_vf + type(integer_field), dimension(1:num_dims,1:2), intent(in) :: bc_type + integer :: nBubs_glb, i ! Setting number of time-stages for selected time-stepping scheme @@ -91,22 +106,36 @@ contains call s_mpi_abort('Please check the lag_params%solver_approach input') end if + pcomm_coords(1)%beg = x_cb(-1) + pcomm_coords(1)%end = x_cb(m) + $:GPU_UPDATE(device='[pcomm_coords(1)]') + if (n > 0) then + pcomm_coords(2)%beg = y_cb(-1) + pcomm_coords(2)%end = y_cb(n) + $:GPU_UPDATE(device='[pcomm_coords(2)]') + if (p > 0) then + pcomm_coords(3)%beg = z_cb(-1) + pcomm_coords(3)%end = z_cb(p) + $:GPU_UPDATE(device='[pcomm_coords(3)]') + end if + end if + $:GPU_UPDATE(device='[lag_num_ts, q_beta_idx]') @:ALLOCATE(q_beta(1:q_beta_idx)) + @:ALLOCATE(kahan_comp(1:q_beta_idx)) do i = 1, q_beta_idx @:ALLOCATE(q_beta(i)%sf(idwbuff(1)%beg:idwbuff(1)%end, idwbuff(2)%beg:idwbuff(2)%end, idwbuff(3)%beg:idwbuff(3)%end)) - end do - - do i = 1, q_beta_idx @:ACC_SETUP_SFs(q_beta(i)) + @:ALLOCATE(kahan_comp(i)%sf(idwbuff(1)%beg:idwbuff(1)%end, idwbuff(2)%beg:idwbuff(2)%end, & + & idwbuff(3)%beg:idwbuff(3)%end)) + @:ACC_SETUP_SFs(kahan_comp(i)) end do ! Allocating space for lagrangian variables nBubs_glb = lag_params%nBubs_glb - @:ALLOCATE(lag_id(1:nBubs_glb, 1:2)) @:ALLOCATE(bub_R0(1:nBubs_glb)) @:ALLOCATE(Rmax_stats(1:nBubs_glb)) @:ALLOCATE(Rmin_stats(1:nBubs_glb)) @@ -114,6 +143,7 @@ contains @:ALLOCATE(gas_betaT(1:nBubs_glb)) @:ALLOCATE(gas_betaC(1:nBubs_glb)) @:ALLOCATE(bub_dphidt(1:nBubs_glb)) + @:ALLOCATE(lag_id(1:nBubs_glb, 1:2)) @:ALLOCATE(gas_p(1:nBubs_glb, 1:2)) @:ALLOCATE(gas_mv(1:nBubs_glb, 1:2)) @:ALLOCATE(intfc_rad(1:nBubs_glb, 1:2)) @@ -129,23 +159,70 @@ contains @:ALLOCATE(mtn_dposdt(1:nBubs_glb, 1:3, 1:lag_num_ts)) @:ALLOCATE(mtn_dveldt(1:nBubs_glb, 1:3, 1:lag_num_ts)) + @:ALLOCATE(keep_bubble(1:nBubs_glb)) + @:ALLOCATE(wrap_bubble_loc(1:nBubs_glb, 1:num_dims), wrap_bubble_dir(1:nBubs_glb, 1:num_dims)) + if (adap_dt .and. f_is_default(adap_dt_tol)) adap_dt_tol = dflt_adap_dt_tol + if (num_procs > 1) call s_initialize_particles_mpi(lag_num_ts) + ! Starting bubbles - call s_read_input_bubbles(q_cons_vf) + if (lag_params%write_void_evol) call s_open_void_evol + if (lag_params%write_bubbles) call s_open_lag_bubble_evol() + if (lag_params%write_bubbles_stats) call s_open_lag_bubble_stats() + + if (lag_params%vel_model > 0) then + moving_lag_bubbles = .true. + lag_pressure_force = lag_params%pressure_force + lag_gravity_force = lag_params%gravity_force + lag_vel_model = lag_params%vel_model + lag_drag_model = lag_params%drag_model + end if + $:GPU_UPDATE(device='[moving_lag_bubbles, lag_pressure_force, lag_gravity_force, lag_vel_model, lag_drag_model]') + + ! Allocate cell-centered pressure gradient arrays and FD coefficients + if (lag_params%vel_model > 0 .and. lag_params%pressure_force) then + @:ALLOCATE(grad_p_x(0:m, 0:n, 0:p)) + @:ALLOCATE(fd_coeff_x_pgrad(-fd_number:fd_number, 0:m)) + call s_compute_finite_difference_coefficients(m, x_cc, fd_coeff_x_pgrad, buff_size, fd_number, fd_order) + $:GPU_UPDATE(device='[fd_coeff_x_pgrad]') + if (n > 0) then + @:ALLOCATE(grad_p_y(0:m, 0:n, 0:p)) + @:ALLOCATE(fd_coeff_y_pgrad(-fd_number:fd_number, 0:n)) + call s_compute_finite_difference_coefficients(n, y_cc, fd_coeff_y_pgrad, buff_size, fd_number, fd_order) + $:GPU_UPDATE(device='[fd_coeff_y_pgrad]') + end if + if (p > 0) then + @:ALLOCATE(grad_p_z(0:m, 0:n, 0:p)) + @:ALLOCATE(fd_coeff_z_pgrad(-fd_number:fd_number, 0:p)) + call s_compute_finite_difference_coefficients(p, z_cc, fd_coeff_z_pgrad, buff_size, fd_number, fd_order) + $:GPU_UPDATE(device='[fd_coeff_z_pgrad]') + end if + end if + + ! Allocate cell list arrays for atomic-free Gaussian smearing + @:ALLOCATE(cell_list_start(0:m, 0:n, 0:p)) + @:ALLOCATE(cell_list_count(0:m, 0:n, 0:p)) + @:ALLOCATE(cell_list_idx(1:lag_params%nBubs_glb)) + + call s_read_input_bubbles(q_cons_vf, bc_type) end subroutine s_initialize_bubbles_EL_module - !> Read initial bubble data from input files - impure subroutine s_read_input_bubbles(q_cons_vf) + !> The purpose of this procedure is to obtain the initial bubbles' information + !! @param q_cons_vf Conservative variables + impure subroutine s_read_input_bubbles(q_cons_vf, bc_type) + + type(scalar_field), dimension(sys_size), intent(inout) :: q_cons_vf + type(integer_field), dimension(1:num_dims,1:2), intent(in) :: bc_type + real(wp), dimension(8) :: inputBubble + real(wp) :: qtime + integer :: id, bub_id, save_count + integer :: i, ios + logical :: file_exist, indomain + integer, dimension(3) :: cell + character(LEN=path_len + 2*name_len) :: path_D_dir - type(scalar_field), dimension(sys_size), intent(inout) :: q_cons_vf - real(wp), dimension(8) :: inputBubble - real(wp) :: qtime - integer :: id, bub_id, save_count - integer :: i, ios - logical :: file_exist, indomain - character(LEN=path_len + 2*name_len) :: path_D_dir ! Initialize number of particles bub_id = 0 @@ -162,9 +239,9 @@ contains if (save_count == 0) then if (proc_rank == 0) print *, 'Reading lagrange bubbles input file.' - inquire (file='input/lag_bubbles.dat', exist=file_exist) + call my_inquire(trim(lag_params%input_path), file_exist) if (file_exist) then - open (94, file='input/lag_bubbles.dat', form='formatted', iostat=ios) + open (94, file=trim(lag_params%input_path), form='formatted', iostat=ios) do while (ios == 0) read (94, *, iostat=ios) (inputBubble(i), i=1, 8) if (ios /= 0) cycle @@ -178,12 +255,12 @@ contains call s_add_bubbles(inputBubble, q_cons_vf, bub_id) lag_id(bub_id, 1) = id ! global ID lag_id(bub_id, 2) = bub_id ! local ID - nBubs = bub_id ! local number of bubbles + n_el_bubs_loc = bub_id ! local number of bubbles end if end do close (94) else - call s_mpi_abort("Initialize the lagrange bubbles in input/lag_bubbles.dat") + call s_mpi_abort("Initialize the lagrange bubbles in " // trim(lag_params%input_path)) end if else if (proc_rank == 0) print *, 'Restarting lagrange bubbles at save_count: ', save_count @@ -192,11 +269,21 @@ contains print *, " Lagrange bubbles running, in proc", proc_rank, "number:", bub_id, "/", id + if (num_procs > 1) then + call s_mpi_reduce_int_sum(n_el_bubs_loc, n_el_bubs_glb) + else + n_el_bubs_glb = n_el_bubs_loc + end if + + if (proc_rank == 0) then + if (n_el_bubs_glb == 0) call s_mpi_abort('No bubbles in the domain. Check ' // trim(lag_params%input_path)) + end if + $:GPU_UPDATE(device='[bubbles_lagrange, lag_params]') $:GPU_UPDATE(device='[lag_id, bub_R0, Rmax_stats, Rmin_stats, gas_mg, gas_betaT, gas_betaC, bub_dphidt, gas_p, gas_mv, & & intfc_rad, intfc_vel, mtn_pos, mtn_posPrev, mtn_vel, mtn_s, intfc_draddt, intfc_dveldt, gas_dpdt, & - & gas_dmvdt, mtn_dposdt, mtn_dveldt, nBubs]') + & gas_dmvdt, mtn_dposdt, mtn_dveldt, n_el_bubs_loc]') Rmax_glb = min(dflt_real, -dflt_real) Rmin_glb = max(dflt_real, -dflt_real) @@ -206,22 +293,28 @@ contains ! Populate temporal variables call s_transfer_data_to_tmp() - call s_smear_voidfraction() - - if (lag_params%write_bubbles) call s_write_lag_particles(qtime) + call s_smear_voidfraction(bc_type) if (save_count == 0) then ! Create ./D directory - write (path_D_dir, '(A,I0,A,I0)') trim(case_dir) // '/D' - call my_inquire(path_D_dir, file_exist) - if (.not. file_exist) call s_create_directory(trim(path_D_dir)) + if (proc_rank == 0) then + write (path_D_dir, '(A,I0,A,I0)') trim(case_dir) // '/D' + call my_inquire(trim(path_D_dir), file_exist) + if (.not. file_exist) call s_create_directory(trim(path_D_dir)) + end if + call s_mpi_barrier() call s_write_restart_lag_bubbles(save_count) ! Needed for post_processing - call s_write_void_evol(qtime) + if (lag_params%write_void_evol) call s_write_void_evol(qtime) end if + if (lag_params%write_bubbles) call s_write_lag_bubble_evol(qtime) + end subroutine s_read_input_bubbles - !> Add a new bubble from input data for a fresh start + !> The purpose of this procedure is to obtain the information of the bubbles when starting fresh + !! @param inputBubble Bubble information + !! @param q_cons_vf Conservative variables + !! @param bub_id Local id of the bubble impure subroutine s_add_bubbles(inputBubble, q_cons_vf, bub_id) type(scalar_field), dimension(sys_size), intent(in) :: q_cons_vf @@ -256,7 +349,7 @@ contains mtn_posPrev(bub_id,1:3,1) = mtn_pos(bub_id,1:3,1) end if - cell = -buff_size + cell = fd_number - buff_size call s_locate_cell(mtn_pos(bub_id,1:3,1), cell, mtn_s(bub_id,1:3,1)) ! Check if the bubble is located in the ghost cell of a symmetric, or wall boundary @@ -329,7 +422,9 @@ contains end subroutine s_add_bubbles - !> Restore bubble data from a restart file + !> The purpose of this procedure is to obtain the information of the bubbles from a restart point. + !! @param bub_id Local ID of the particle + !! @param save_count File identifier impure subroutine s_restart_bubbles(bub_id, save_count) integer, intent(inout) :: bub_id, save_count @@ -349,7 +444,6 @@ contains integer :: i integer, dimension(:), allocatable :: proc_bubble_counts real(wp), dimension(1:1,1:lag_io_vars) :: dummy - dummy = 0._wp ! Construct file path @@ -431,7 +525,7 @@ contains call MPI_FILE_CLOSE(ifile, ierr) call MPI_TYPE_FREE(view, ierr) - nBubs = bub_id + n_el_bubs_loc = bub_id do i = 1, bub_id lag_id(i, 1) = int(MPI_IO_DATA_lag_bubbles(i, 1)) @@ -455,7 +549,7 @@ contains deallocate (MPI_IO_DATA_lag_bubbles) else - nBubs = 0 + n_el_bubs_loc = 0 call MPI_TYPE_CONTIGUOUS(0, mpi_p, view, ierr) call MPI_TYPE_COMMIT(view, ierr) @@ -484,16 +578,20 @@ contains end subroutine s_restart_bubbles !> Contains the bubble dynamics subroutines. - subroutine s_compute_bubble_EL_dynamics(q_prim_vf, stage) - - type(scalar_field), dimension(sys_size), intent(inout) :: q_prim_vf - integer, intent(in) :: stage - real(wp) :: myVapFlux - real(wp) :: preterm1, term2, paux, pint, Romega, term1_fac - real(wp) :: myR_m, mygamma_m, myPb, myMass_n, myMass_v - real(wp) :: myR, myV, myBeta_c, myBeta_t, myR0, myPbdot, myMvdot - real(wp) :: myPinf, aux1, aux2, myCson, myRho - real(wp) :: gamma, pi_inf, qv + !! @param q_prim_vf Primitive variables + !! @param stage Current stage in the time-stepper algorithm + subroutine s_compute_bubble_EL_dynamics(q_prim_vf, bc_type, stage) + + type(scalar_field), dimension(sys_size), intent(inout) :: q_prim_vf + type(integer_field), dimension(1:num_dims,1:2), intent(in) :: bc_type + integer, intent(in) :: stage + real(wp) :: myVapFlux + real(wp) :: preterm1, term2, paux, pint, Romega, term1_fac + real(wp) :: myR_m, mygamma_m, myPb, myMass_n, myMass_v + real(wp) :: myR, myV, myBeta_c, myBeta_t, myR0, myPbdot, myMvdot + real(wp) :: myPinf, aux1, aux2, myCson, myRho + real(wp), dimension(3) :: myPos, myVel + real(wp) :: gamma, pi_inf, qv, f_b, myRe #:if not MFC_CASE_OPTIMIZATION and USING_AMD real(wp), dimension(3) :: myalpha_rho, myalpha @@ -502,17 +600,16 @@ contains #:endif real(wp), dimension(2) :: Re integer, dimension(3) :: cell - integer :: adap_dt_stop_max, adap_dt_stop !< Fail-safe exit if max iteration count reached + integer :: adap_dt_stop_sum, adap_dt_stop !< Fail-safe exit if max iteration count reached real(wp) :: dmalf, dmntait, dmBtait, dm_bub_adv_src, dm_divu !< Dummy variables for unified subgrid bubble subroutines - integer :: i, k, l - - call nvtxStartRange("LAGRANGE-BUBBLE-DYNAMICS") + integer :: k, l ! Subgrid p_inf model based on Maeda and Colonius (2018). if (lag_params%pressure_corrector) then + call nvtxStartRange("LAGRANGE-BUBBLE-PINF-CORRECTION") ! Calculate velocity potentials (valid for one bubble per cell) $:GPU_PARALLEL_LOOP(private='[k, cell, paux, preterm1, term2, Romega, myR0, myR, myV, myPb, pint, term1_fac]') - do k = 1, nBubs + do k = 1, n_el_bubs_loc call s_get_pinf(k, q_prim_vf, 2, paux, cell, preterm1, term2, Romega) myR0 = bub_R0(k) myR = intfc_rad(k, 2) @@ -529,16 +626,24 @@ contains end if end do $:END_GPU_PARALLEL_LOOP() + call nvtxEndRange() end if + ! Precompute cell-centered pressure gradients for translational motion + if (moving_lag_bubbles .and. lag_pressure_force) then + call nvtxStartRange("LAGRANGE-BUBBLE-PRESSURE-GRADIENT") + call s_compute_pressure_gradients(q_prim_vf) + call nvtxEndRange() + end if + + call nvtxStartRange("LAGRANGE-BUBBLE-DYNAMICS") ! Radial motion model - adap_dt_stop_max = 0 - $:GPU_PARALLEL_LOOP(private='[k, i, myalpha_rho, myalpha, Re, cell, myVapFlux, preterm1, term2, paux, pint, Romega, & + adap_dt_stop_sum = 0 + $:GPU_PARALLEL_LOOP(private='[k, myalpha_rho, myalpha, Re, cell, myVapFlux, preterm1, term2, paux, pint, Romega, & & term1_fac, myR_m, mygamma_m, myPb, myMass_n, myMass_v, myR, myV, myBeta_c, myBeta_t, myR0, myPbdot, & & myMvdot, myPinf, aux1, aux2, myCson, myRho, gamma, pi_inf, qv, dmalf, dmntait, dmBtait, & - & dm_bub_adv_src, dm_divu, adap_dt_stop]', reduction='[[adap_dt_stop_max]]',reductionOp='[MAX]', & - & copy = '[adap_dt_stop_max]', copyin = '[stage]') - do k = 1, nBubs + & dm_bub_adv_src, dm_divu, adap_dt_stop, myPos, myVel]', copy='[adap_dt_stop_sum]',copyin='[stage]') + do k = 1, n_el_bubs_loc ! Keller-Miksis model ! Current bubble state @@ -550,6 +655,8 @@ contains myBeta_c = gas_betaC(k) myBeta_t = gas_betaT(k) myR0 = bub_R0(k) + myPos = mtn_pos(k,:,2) + myVel = mtn_vel(k,:,2) ! Vapor and heat fluxes call s_vflux(myR, myV, myPb, myMass_v, k, myVapFlux, myMass_n, myBeta_c, myR_m, mygamma_m) @@ -568,44 +675,74 @@ contains adap_dt_stop = 0 if (adap_dt) then - call s_advance_step(myRho, myPinf, myR, myV, myR0, myPb, myPbdot, dmalf, dmntait, dmBtait, dm_bub_adv_src, & - & dm_divu, k, myMass_v, myMass_n, myBeta_c, myBeta_t, myCson, adap_dt_stop) + mtn_posPrev(k,:,1) = myPos + + myRe = Re(1) + adap_dt_stop = f_advance_step(myRho, myPinf, myR, myV, myR0, myPb, myPbdot, dmalf, dmntait, dmBtait, & + & dm_bub_adv_src, dm_divu, k, myMass_v, myMass_n, myBeta_c, myBeta_t, myCson, myRe, & + & myPos, myVel, cell, q_prim_vf) ! Update bubble state intfc_rad(k, 1) = myR intfc_vel(k, 1) = myV gas_p(k, 1) = myPb gas_mv(k, 1) = myMass_v + mtn_pos(k,:,1) = myPos + mtn_vel(k,:,1) = myVel else ! Radial acceleration from bubble models intfc_dveldt(k, stage) = f_rddot(myRho, myPinf, myR, myV, myR0, myPb, myPbdot, dmalf, dmntait, dmBtait, & & dm_bub_adv_src, dm_divu, myCson) + intfc_draddt(k, stage) = myV gas_dmvdt(k, stage) = myMvdot gas_dpdt(k, stage) = myPbdot + + if (moving_lag_bubbles) then + do l = 1, num_dims + select case (lag_vel_model) + case (1) + mtn_dposdt(k, l, stage) = f_interpolate_velocity(myPos(l), cell, l, q_prim_vf) + mtn_dveldt(k, l, stage) = 0._wp + case (2) + mtn_dposdt(k, l, stage) = myVel(l) + f_b = f_get_bubble_force(myPos(l), myR, myV, myVel(l), myMass_n, myMass_v, Re(1), myRho, cell, l, & + & q_prim_vf) + mtn_dveldt(k, l, stage) = f_b/(myMass_n + myMass_v) + case (3) + mtn_dposdt(k, l, stage) = myVel(l) + f_b = f_get_bubble_force(myPos(l), myR, myV, myVel(l), myMass_n, myMass_v, Re(1), myRho, cell, l, & + & q_prim_vf) + mtn_dveldt(k, l, stage) = 2._wp*f_b/(myMass_n + myMass_v) - 3._wp*myV*myVel(l)/myR + case default + mtn_dposdt(k, l, stage) = 0._wp + mtn_dveldt(k, l, stage) = 0._wp + end select + end do + end if end if - adap_dt_stop_max = max(adap_dt_stop_max, adap_dt_stop) + $:GPU_ATOMIC(atomic='update') + adap_dt_stop_sum = adap_dt_stop_sum + adap_dt_stop end do $:END_GPU_PARALLEL_LOOP() + call nvtxEndRange - if (adap_dt .and. adap_dt_stop_max > 0) call s_mpi_abort("Adaptive time stepping failed to converge.") - - ! Bubbles remain in a fixed position - $:GPU_PARALLEL_LOOP(collapse=2, private='[k, l]', copyin='[stage]') - do k = 1, nBubs - do l = 1, 3 - mtn_dposdt(k, l, stage) = 0._wp - mtn_dveldt(k, l, stage) = 0._wp - end do - end do - $:END_GPU_PARALLEL_LOOP() + if (adap_dt .and. adap_dt_stop_sum > 0) call s_mpi_abort("Adaptive time stepping failed to converge.") - call nvtxEndRange + if (adap_dt) then + call s_transfer_data_to_tmp() + if (moving_lag_bubbles) call s_enforce_EL_bubbles_boundary_conditions(q_prim_vf) + call s_smear_voidfraction(bc_type) + end if end subroutine s_compute_bubble_EL_dynamics - !> Compute the Lagrangian bubble source terms and add them to the RHS + !> The purpose of this subroutine is to obtain the bubble source terms based on Maeda and Colonius (2018) and add them to the + !! RHS scalar field. + !! @param q_cons_vf Conservative variables + !! @param q_prim_vf Conservative variables + !! @param rhs_vf Time derivative of the conservative variables subroutine s_compute_bubbles_EL_source(q_cons_vf, q_prim_vf, rhs_vf) type(scalar_field), dimension(sys_size), intent(inout) :: q_cons_vf @@ -613,91 +750,96 @@ contains type(scalar_field), dimension(sys_size), intent(inout) :: rhs_vf integer :: i, j, k, l - if (.not. adap_dt) call s_smear_voidfraction() - - if (lag_params%solver_approach == 2) then - ! (q / (1 - beta)) * d(beta)/dt source - if (p == 0) then - $:GPU_PARALLEL_LOOP(private='[i, j, k, l]', collapse=4) - do k = 0, p - do j = 0, n - do i = 0, m - do l = 1, E_idx - if (q_beta(1)%sf(i, j, k) > (1._wp - lag_params%valmaxvoid)) then - rhs_vf(l)%sf(i, j, k) = rhs_vf(l)%sf(i, j, k) + q_cons_vf(l)%sf(i, j, k)*(q_beta(2)%sf(i, j, & - & k) + q_beta(5)%sf(i, j, k)) - end if - end do + call nvtxStartRange("LAGRANGE-BUBBLE-EL-SOURCE") + ! (q / (1 - beta)) * d(beta)/dt source + if (lag_params%cluster_type >= 4) then + $:GPU_PARALLEL_LOOP(private='[i, j, k, l]', collapse=4) + do k = idwint(3)%beg, idwint(3)%end + do j = idwint(2)%beg, idwint(2)%end + do i = idwint(1)%beg, idwint(1)%end + do l = 1, E_idx + if (q_beta(1)%sf(i, j, k) > (1._wp - lag_params%valmaxvoid)) then + rhs_vf(l)%sf(i, j, k) = rhs_vf(l)%sf(i, j, k) + q_cons_vf(l)%sf(i, j, k)*(q_beta(2)%sf(i, j, & + & k) + q_beta(5)%sf(i, j, k)) + end if end do end do end do - $:END_GPU_PARALLEL_LOOP() - else - $:GPU_PARALLEL_LOOP(private='[i, j, k, l]', collapse=4) - do k = 0, p - do j = 0, n - do i = 0, m - do l = 1, E_idx - if (q_beta(1)%sf(i, j, k) > (1._wp - lag_params%valmaxvoid)) then - rhs_vf(l)%sf(i, j, k) = rhs_vf(l)%sf(i, j, k) + q_cons_vf(l)%sf(i, j, k)/q_beta(1)%sf(i, j, & - & k)*q_beta(2)%sf(i, j, k) - end if - end do + end do + $:END_GPU_PARALLEL_LOOP() + else + $:GPU_PARALLEL_LOOP(private='[i, j, k, l]', collapse=4) + do k = idwint(3)%beg, idwint(3)%end + do j = idwint(2)%beg, idwint(2)%end + do i = idwint(1)%beg, idwint(1)%end + do l = 1, E_idx + if (q_beta(1)%sf(i, j, k) > (1._wp - lag_params%valmaxvoid)) then + rhs_vf(l)%sf(i, j, k) = rhs_vf(l)%sf(i, j, k) + (q_cons_vf(l)%sf(i, j, k)/q_beta(1)%sf(i, j, & + & k))*q_beta(2)%sf(i, j, k) + end if end do end do end do - $:END_GPU_PARALLEL_LOOP() - end if + end do + $:END_GPU_PARALLEL_LOOP() + end if - do l = 1, num_dims - call s_gradient_dir(q_prim_vf(E_idx)%sf, q_beta(3)%sf, l) + do l = 1, num_dims + call s_gradient_dir(q_prim_vf(E_idx)%sf, q_beta(3)%sf, l) - ! (q / (1 - beta)) * d(beta)/dt source - $:GPU_PARALLEL_LOOP(private='[i, j, k]', collapse=3) - do k = 0, p - do j = 0, n - do i = 0, m - if (q_beta(1)%sf(i, j, k) > (1._wp - lag_params%valmaxvoid)) then - rhs_vf(contxe + l)%sf(i, j, k) = rhs_vf(contxe + l)%sf(i, j, k) - (1._wp - q_beta(1)%sf(i, j, & - & k))/q_beta(1)%sf(i, j, k)*q_beta(3)%sf(i, j, k) - end if - end do + ! (q / (1 - beta)) * d(beta)/dt source + $:GPU_PARALLEL_LOOP(private='[i, j, k]', collapse=3) + do k = idwint(3)%beg, idwint(3)%end + do j = idwint(2)%beg, idwint(2)%end + do i = idwint(1)%beg, idwint(1)%end + if (q_beta(1)%sf(i, j, k) > (1._wp - lag_params%valmaxvoid)) then + rhs_vf(contxe + l)%sf(i, j, k) = rhs_vf(contxe + l)%sf(i, j, k) - (1._wp - q_beta(1)%sf(i, j, & + & k))/q_beta(1)%sf(i, j, k)*q_beta(3)%sf(i, j, k) + end if end do end do - $:END_GPU_PARALLEL_LOOP() + end do + $:END_GPU_PARALLEL_LOOP() - ! source in energy - $:GPU_PARALLEL_LOOP(private='[i, j, k]', collapse=3) - do k = idwbuff(3)%beg, idwbuff(3)%end - do j = idwbuff(2)%beg, idwbuff(2)%end - do i = idwbuff(1)%beg, idwbuff(1)%end - q_beta(3)%sf(i, j, k) = q_prim_vf(E_idx)%sf(i, j, k)*q_prim_vf(contxe + l)%sf(i, j, k) - end do + ! source in energy + $:GPU_PARALLEL_LOOP(private='[i, j, k]', collapse=3) + do k = idwbuff(3)%beg, idwbuff(3)%end + do j = idwbuff(2)%beg, idwbuff(2)%end + do i = idwbuff(1)%beg, idwbuff(1)%end + q_beta(3)%sf(i, j, k) = q_prim_vf(E_idx)%sf(i, j, k)*q_prim_vf(contxe + l)%sf(i, j, k) end do end do - $:END_GPU_PARALLEL_LOOP() + end do + $:END_GPU_PARALLEL_LOOP() - call s_gradient_dir(q_beta(3)%sf, q_beta(4)%sf, l) + call s_gradient_dir(q_beta(3)%sf, q_beta(4)%sf, l) - ! (beta / (1 - beta)) * d(Pu)/dl source - $:GPU_PARALLEL_LOOP(private='[i, j, k]', collapse=3) - do k = 0, p - do j = 0, n - do i = 0, m - if (q_beta(1)%sf(i, j, k) > (1._wp - lag_params%valmaxvoid)) then - rhs_vf(E_idx)%sf(i, j, k) = rhs_vf(E_idx)%sf(i, j, k) - q_beta(4)%sf(i, j, & - & k)*(1._wp - q_beta(1)%sf(i, j, k))/q_beta(1)%sf(i, j, k) - end if - end do + ! (beta / (1 - beta)) * d(Pu)/dl source + $:GPU_PARALLEL_LOOP(private='[i, j, k]', collapse=3) + do k = idwint(3)%beg, idwint(3)%end + do j = idwint(2)%beg, idwint(2)%end + do i = idwint(1)%beg, idwint(1)%end + if (q_beta(1)%sf(i, j, k) > (1._wp - lag_params%valmaxvoid)) then + rhs_vf(E_idx)%sf(i, j, k) = rhs_vf(E_idx)%sf(i, j, k) - q_beta(4)%sf(i, j, & + & k)*(1._wp - q_beta(1)%sf(i, j, k))/q_beta(1)%sf(i, j, k) + end if end do end do - $:END_GPU_PARALLEL_LOOP() end do - end if + $:END_GPU_PARALLEL_LOOP() + end do + call nvtxEndRange ! LAGRANGE-BUBBLE-EL-SOURCE end subroutine s_compute_bubbles_EL_source - !> Compute the speed of sound from a given driving pressure + !> This procedure computes the speed of sound from a given driving pressure + !! @param q_prim_vf Primitive variables + !! @param pinf Driving pressure + !! @param cell Bubble cell + !! @param rhol Liquid density + !! @param gamma Liquid specific heat ratio + !! @param pi_inf Liquid stiffness + !! @param cson Calculated speed of sound subroutine s_compute_cson_from_pinf(q_prim_vf, pinf, cell, rhol, gamma, pi_inf, cson) $:GPU_ROUTINE(function_name='s_compute_cson_from_pinf', parallelism='[seq]', cray_inline=True) @@ -725,26 +867,38 @@ contains end subroutine s_compute_cson_from_pinf - !> Smear the bubble effects onto the Eulerian grid - subroutine s_smear_voidfraction() - - integer :: i, j, k, l + !> The purpose of this subroutine is to smear the effect of the bubbles in the Eulerian framework + subroutine s_smear_voidfraction(bc_type) - call nvtxStartRange("BUBBLES-LAGRANGE-KERNELS") + type(integer_field), dimension(1:num_dims,1:2), intent(in) :: bc_type + integer :: i, j, k, l + call nvtxStartRange("BUBBLES-LAGRANGE-SMEARING") $:GPU_PARALLEL_LOOP(private='[i, j, k, l]', collapse=4) do i = 1, q_beta_idx do l = idwbuff(3)%beg, idwbuff(3)%end do k = idwbuff(2)%beg, idwbuff(2)%end do j = idwbuff(1)%beg, idwbuff(1)%end q_beta(i)%sf(j, k, l) = 0._wp + kahan_comp(i)%sf(j, k, l) = 0._wp end do end do end do end do $:END_GPU_PARALLEL_LOOP() - call s_smoothfunction(nBubs, intfc_rad, intfc_vel, mtn_s, mtn_pos, q_beta) + ! Build cell list before smearing (CPU-side counting sort) + call s_build_cell_list(n_el_bubs_loc, mtn_s) + + call s_smoothfunction(n_el_bubs_loc, intfc_rad, intfc_vel, mtn_s, mtn_pos, q_beta, kahan_comp) + + call nvtxStartRange("BUBBLES-LAGRANGE-BETA-COMM") + if (lag_params%cluster_type >= 4) then + call s_populate_beta_buffers(q_beta, kahan_comp, bc_type, 3, beta_vars) + else + call s_populate_beta_buffers(q_beta, kahan_comp, bc_type, 2, beta_vars) + end if + call nvtxEndRange ! Store 1-beta $:GPU_PARALLEL_LOOP(private='[j, k, l]', collapse=3) @@ -758,12 +912,19 @@ contains end do end do $:END_GPU_PARALLEL_LOOP() - - call nvtxEndRange + call nvtxEndRange ! BUBBLES-LAGRANGE-SMEARING end subroutine s_smear_voidfraction - !> Compute the bubble driving pressure p_inf + !> The purpose of this procedure is obtain the bubble driving pressure p_inf + !! @param bub_id Particle identifier + !! @param q_prim_vf Primitive variables + !! @param ptype 1: p at infinity, 2: averaged P at the bubble location + !! @param f_pinfl Driving pressure + !! @param cell Bubble cell + !! @param preterm1 Pre-computed term 1 + !! @param term2 Computed term 2 + !! @param Romega Control volume radius subroutine s_get_pinf(bub_id, q_prim_vf, ptype, f_pinfl, cell, preterm1, term2, Romega) $:GPU_ROUTINE(function_name='s_get_pinf',parallelism='[seq]', cray_inline=True) @@ -773,91 +934,170 @@ contains real(wp), intent(out) :: f_pinfl integer, dimension(3), intent(out) :: cell real(wp), intent(out), optional :: preterm1, term2, Romega - real(wp), dimension(3) :: scoord, psi + real(wp), dimension(3) :: scoord, psi_pos, psi_x, psi_y, psi_z + real(wp) :: xi, eta, zeta real(wp) :: dc, vol, aux real(wp) :: volgas, term1, Rbeq, denom real(wp) :: charvol, charpres, charvol2, charpres2 integer, dimension(3) :: cellaux integer :: i, j, k integer :: smearGrid, smearGridz - logical :: celloutside - scoord = mtn_s(bub_id,1:3,2) f_pinfl = 0._wp - !> Find current bubble cell - cell(:) = int(scoord(:)) - $:GPU_LOOP(parallelism='[seq]') - do i = 1, num_dims - if (scoord(i) < 0._wp) cell(i) = cell(i) - 1 - end do + if (moving_lag_bubbles) then + cell = fd_number - buff_size + call s_locate_cell(mtn_pos(bub_id,1:3,2), cell, mtn_s(bub_id,1:3,2)) + scoord = mtn_s(bub_id,1:3,2) + else + scoord = mtn_s(bub_id,1:3,2) + cell(:) = int(scoord(:)) + $:GPU_LOOP(parallelism='[seq]') + do i = 1, num_dims + if (scoord(i) < 0._wp) cell(i) = cell(i) - 1 + end do + end if if ((lag_params%cluster_type == 1)) then !> Getting p_cell in terms of only the current cell by interpolation - !> Getting the cell volulme as Omega - if (p > 0) then - vol = dx(cell(1))*dy(cell(2))*dz(cell(3)) - else - if (cyl_coord) then - vol = dx(cell(1))*dy(cell(2))*y_cc(cell(2))*2._wp*pi + + if (fd_order == 2) then ! Bilinear interpolation + + if (p > 0) then + vol = dx(cell(1))*dy(cell(2))*dz(cell(3)) else - vol = dx(cell(1))*dy(cell(2))*lag_params%charwidth + if (cyl_coord) then + vol = dx(cell(1))*dy(cell(2))*y_cc(cell(2))*2._wp*pi + else + vol = dx(cell(1))*dy(cell(2))*lag_params%charwidth + end if end if - end if - !> Obtain bilinear interpolation coefficients, based on the current location of the bubble. - psi(1) = (scoord(1) - real(cell(1)))*dx(cell(1)) + x_cb(cell(1) - 1) - if (cell(1) == (m + buff_size)) then - cell(1) = cell(1) - 1 - psi(1) = 1._wp - else if (cell(1) == (-buff_size)) then - psi(1) = 0._wp - else - if (psi(1) < x_cc(cell(1))) cell(1) = cell(1) - 1 - psi(1) = abs((psi(1) - x_cc(cell(1)))/(x_cc(cell(1) + 1) - x_cc(cell(1)))) - end if + !> Obtain bilinear interpolation coefficients, based on the current location of the bubble. + psi_pos(1) = (scoord(1) - real(cell(1)))*dx(cell(1)) + x_cb(cell(1) - 1) + psi_pos(1) = abs((psi_pos(1) - x_cc(cell(1)))/(x_cc(cell(1) + 1) - x_cc(cell(1)))) - psi(2) = (scoord(2) - real(cell(2)))*dy(cell(2)) + y_cb(cell(2) - 1) - if (cell(2) == (n + buff_size)) then - cell(2) = cell(2) - 1 - psi(2) = 1._wp - else if (cell(2) == (-buff_size)) then - psi(2) = 0._wp - else - if (psi(2) < y_cc(cell(2))) cell(2) = cell(2) - 1 - psi(2) = abs((psi(2) - y_cc(cell(2)))/(y_cc(cell(2) + 1) - y_cc(cell(2)))) - end if + psi_pos(2) = (scoord(2) - real(cell(2)))*dy(cell(2)) + y_cb(cell(2) - 1) + psi_pos(2) = abs((psi_pos(2) - y_cc(cell(2)))/(y_cc(cell(2) + 1) - y_cc(cell(2)))) - if (p > 0) then - psi(3) = (scoord(3) - real(cell(3)))*dz(cell(3)) + z_cb(cell(3) - 1) - if (cell(3) == (p + buff_size)) then - cell(3) = cell(3) - 1 - psi(3) = 1._wp - else if (cell(3) == (-buff_size)) then - psi(3) = 0._wp + if (p > 0) then + psi_pos(3) = (scoord(3) - real(cell(3)))*dz(cell(3)) + z_cb(cell(3) - 1) + psi_pos(3) = abs((psi_pos(3) - z_cc(cell(3)))/(z_cc(cell(3) + 1) - z_cc(cell(3)))) else - if (psi(3) < z_cc(cell(3))) cell(3) = cell(3) - 1 - psi(3) = abs((psi(3) - z_cc(cell(3)))/(z_cc(cell(3) + 1) - z_cc(cell(3)))) + psi_pos(3) = 0._wp end if - else - psi(3) = 0._wp - end if - !> Perform bilinear interpolation - if (p == 0) then ! 2D - f_pinfl = q_prim_vf(E_idx)%sf(cell(1), cell(2), cell(3))*(1._wp - psi(1))*(1._wp - psi(2)) - f_pinfl = f_pinfl + q_prim_vf(E_idx)%sf(cell(1) + 1, cell(2), cell(3))*psi(1)*(1._wp - psi(2)) - f_pinfl = f_pinfl + q_prim_vf(E_idx)%sf(cell(1) + 1, cell(2) + 1, cell(3))*psi(1)*psi(2) - f_pinfl = f_pinfl + q_prim_vf(E_idx)%sf(cell(1), cell(2) + 1, cell(3))*(1._wp - psi(1))*psi(2) - else ! 3D - f_pinfl = q_prim_vf(E_idx)%sf(cell(1), cell(2), cell(3))*(1._wp - psi(1))*(1._wp - psi(2))*(1._wp - psi(3)) - f_pinfl = f_pinfl + q_prim_vf(E_idx)%sf(cell(1) + 1, cell(2), cell(3))*psi(1)*(1._wp - psi(2))*(1._wp - psi(3)) - f_pinfl = f_pinfl + q_prim_vf(E_idx)%sf(cell(1) + 1, cell(2) + 1, cell(3))*psi(1)*psi(2)*(1._wp - psi(3)) - f_pinfl = f_pinfl + q_prim_vf(E_idx)%sf(cell(1), cell(2) + 1, cell(3))*(1._wp - psi(1))*psi(2)*(1._wp - psi(3)) - f_pinfl = f_pinfl + q_prim_vf(E_idx)%sf(cell(1), cell(2), cell(3) + 1)*(1._wp - psi(1))*(1._wp - psi(2))*psi(3) - f_pinfl = f_pinfl + q_prim_vf(E_idx)%sf(cell(1) + 1, cell(2), cell(3) + 1)*psi(1)*(1._wp - psi(2))*psi(3) - f_pinfl = f_pinfl + q_prim_vf(E_idx)%sf(cell(1) + 1, cell(2) + 1, cell(3) + 1)*psi(1)*psi(2)*psi(3) - f_pinfl = f_pinfl + q_prim_vf(E_idx)%sf(cell(1), cell(2) + 1, cell(3) + 1)*(1._wp - psi(1))*psi(2)*psi(3) + ! Calculate bilinear basis functions for each direction For normalized coordinate xi in [0, 1], the two basis + ! functions are: phi_0(xi) = 1 - xi, phi_1(xi) = xi + + ! X-direction basis functions + psi_x(1) = 1._wp - psi_pos(1) ! Left basis function + psi_x(2) = psi_pos(1) ! Right basis function + + ! Y-direction basis functions + psi_y(1) = 1._wp - psi_pos(2) ! Left basis function + psi_y(2) = psi_pos(2) ! Right basis function + + if (p > 0) then + ! Z-direction basis functions + psi_z(1) = 1._wp - psi_pos(3) ! Left basis function + psi_z(2) = psi_pos(3) ! Right basis function + else + psi_z(1) = 1._wp + psi_z(2) = 0._wp + end if + + !> Perform bilinear interpolation + f_pinfl = 0._wp + + if (p == 0) then ! 2D - 4 point interpolation (2x2) + do j = 1, 2 + do i = 1, 2 + f_pinfl = f_pinfl + q_prim_vf(E_idx)%sf(cell(1) + i - 1, cell(2) + j - 1, cell(3))*psi_x(i)*psi_y(j) + end do + end do + else ! 3D - 8 point interpolation (2x2x2) + do k = 1, 2 + do j = 1, 2 + do i = 1, 2 + f_pinfl = f_pinfl + q_prim_vf(E_idx)%sf(cell(1) + i - 1, cell(2) + j - 1, & + & cell(3) + k - 1)*psi_x(i)*psi_y(j)*psi_z(k) + end do + end do + end do + end if + else if (fd_order == 4) then ! Biquadratic interpolation + if (p > 0) then + vol = dx(cell(1))*dy(cell(2))*dz(cell(3)) + else + if (cyl_coord) then + vol = dx(cell(1))*dy(cell(2))*y_cc(cell(2))*2._wp*pi + else + vol = dx(cell(1))*dy(cell(2))*lag_params%charwidth + end if + end if + + !> Obtain biquadratic interpolation coefficients, based on the current location of the bubble. + ! For biquadratic interpolation, we need coefficients for 3 points in each direction + psi_pos(1) = (scoord(1) - real(cell(1)))*dx(cell(1)) + x_cb(cell(1) - 1) + psi_pos(1) = (psi_pos(1) - x_cc(cell(1)))/(x_cc(cell(1) + 1) - x_cc(cell(1))) + + psi_pos(2) = (scoord(2) - real(cell(2)))*dy(cell(2)) + y_cb(cell(2) - 1) + psi_pos(2) = (psi_pos(2) - y_cc(cell(2)))/(y_cc(cell(2) + 1) - y_cc(cell(2))) + + if (p > 0) then + psi_pos(3) = (scoord(3) - real(cell(3)))*dz(cell(3)) + z_cb(cell(3) - 1) + psi_pos(3) = (psi_pos(3) - z_cc(cell(3)))/(z_cc(cell(3) + 1) - z_cc(cell(3))) + else + psi_pos(3) = 0._wp + end if + + ! Calculate biquadratic basis functions for each direction For normalized coordinate xi in [-1, 1], the three basis + ! functions are: phi_0(xi) = xi*(xi-1)/2, phi_1(xi) = (1-xi)*(1+xi), phi_2(xi) = xi*(xi+1)/2 + + ! X-direction basis functions + xi = 2._wp*psi_pos(1) - 1._wp ! Convert to [-1, 1] range + psi_x(1) = xi*(xi - 1._wp)/2._wp ! Left basis function + psi_x(2) = (1._wp - xi)*(1._wp + xi) ! Center basis function + psi_x(3) = xi*(xi + 1._wp)/2._wp ! Right basis function + + ! Y-direction basis functions + eta = 2._wp*psi_pos(2) - 1._wp ! Convert to [-1, 1] range + psi_y(1) = eta*(eta - 1._wp)/2._wp ! Left basis function + psi_y(2) = (1._wp - eta)*(1._wp + eta) ! Center basis function + psi_y(3) = eta*(eta + 1._wp)/2._wp ! Right basis function + + if (p > 0) then + ! Z-direction basis functions + zeta = 2._wp*psi_pos(3) - 1._wp ! Convert to [-1, 1] range + psi_z(1) = zeta*(zeta - 1._wp)/2._wp ! Left basis function + psi_z(2) = (1._wp - zeta)*(1._wp + zeta) ! Center basis function + psi_z(3) = zeta*(zeta + 1._wp)/2._wp ! Right basis function + else + psi_z(1) = 0._wp + psi_z(2) = 1._wp + psi_z(3) = 0._wp + end if + + !> Perform biquadratic interpolation + f_pinfl = 0._wp + + if (p == 0) then ! 2D - 9 point interpolation (3x3) + do j = 1, 3 + do i = 1, 3 + f_pinfl = f_pinfl + q_prim_vf(E_idx)%sf(cell(1) + i - 2, cell(2) + j - 2, cell(3))*psi_x(i)*psi_y(j) + end do + end do + else ! 3D - 27 point interpolation (3x3x3) + do k = 1, 3 + do j = 1, 3 + do i = 1, 3 + f_pinfl = f_pinfl + q_prim_vf(E_idx)%sf(cell(1) + i - 2, cell(2) + j - 2, & + & cell(3) + k - 2)*psi_x(i)*psi_y(j)*psi_z(k) + end do + end do + end do + end if end if ! R_Omega @@ -887,56 +1127,25 @@ contains cellaux(3) = cell(3) + k - (mapCells + 1) if (p == 0) cellaux(3) = 0 - !> check if the current cell is outside the computational domain or not (including ghost cells) - celloutside = .false. - if (num_dims == 2) then - if ((cellaux(1) < -buff_size) .or. (cellaux(2) < -buff_size)) then - celloutside = .true. - end if - if (cyl_coord .and. y_cc(cellaux(2)) < 0._wp) then - celloutside = .true. - end if - if ((cellaux(2) > n + buff_size) .or. (cellaux(1) > m + buff_size)) then - celloutside = .true. - end if + !> Obtaining the cell volume + if (p > 0) then + vol = dx(cellaux(1))*dy(cellaux(2))*dz(cellaux(3)) else - if ((cellaux(3) < -buff_size) .or. (cellaux(1) < -buff_size) .or. (cellaux(2) < -buff_size)) then - celloutside = .true. - end if - - if ((cellaux(3) > p + buff_size) .or. (cellaux(2) > n + buff_size) .or. (cellaux(1) > m + buff_size)) & - & then - celloutside = .true. - end if - end if - if (.not. celloutside) then - if (cyl_coord .and. (p == 0) .and. (y_cc(cellaux(2)) < 0._wp)) then - celloutside = .true. - end if - end if - - if (.not. celloutside) then - !> Obtaining the cell volulme - if (p > 0) then - vol = dx(cellaux(1))*dy(cellaux(2))*dz(cellaux(3)) + if (cyl_coord) then + vol = dx(cellaux(1))*dy(cellaux(2))*y_cc(cellaux(2))*2._wp*pi else - if (cyl_coord) then - vol = dx(cellaux(1))*dy(cellaux(2))*y_cc(cellaux(2))*2._wp*pi - else - vol = dx(cellaux(1))*dy(cellaux(2))*lag_params%charwidth - end if + vol = dx(cellaux(1))*dy(cellaux(2))*lag_params%charwidth end if - !> Update values - charvol = charvol + vol - charpres = charpres + q_prim_vf(E_idx)%sf(cellaux(1), cellaux(2), cellaux(3))*vol - charvol2 = charvol2 + vol*q_beta(1)%sf(cellaux(1), cellaux(2), cellaux(3)) - charpres2 = charpres2 + q_prim_vf(E_idx)%sf(cellaux(1), cellaux(2), & - & cellaux(3))*vol*q_beta(1)%sf(cellaux(1), cellaux(2), cellaux(3)) end if + !> Update values + charvol = charvol + vol + charpres = charpres + q_prim_vf(E_idx)%sf(cellaux(1), cellaux(2), cellaux(3))*vol + charvol2 = charvol2 + vol*q_beta(1)%sf(cellaux(1), cellaux(2), cellaux(3)) + charpres2 = charpres2 + q_prim_vf(E_idx)%sf(cellaux(1), cellaux(2), & + & cellaux(3))*vol*q_beta(1)%sf(cellaux(1), cellaux(2), cellaux(3)) end do end do end do - f_pinfl = charpres2/charvol2 vol = charvol dc = (3._wp*abs(vol)/(4._wp*pi))**(1._wp/3._wp) @@ -966,126 +1175,343 @@ contains end subroutine s_get_pinf - !> Update Lagrangian bubble variables using TVD Runge-Kutta time stepping - impure subroutine s_update_lagrange_tdv_rk(stage) + !> This subroutine updates the Lagrange variables using the tvd RK time steppers. The time derivative of the bubble variables + !! must be stored at every stage to avoid precision errors. + !! @param stage Current tvd RK stage + impure subroutine s_update_lagrange_tdv_rk(q_prim_vf, bc_type, stage) - integer, intent(in) :: stage - integer :: k + type(scalar_field), dimension(sys_size), intent(in) :: q_prim_vf + type(integer_field), dimension(1:num_dims,1:2), intent(in) :: bc_type + integer, intent(in) :: stage + integer :: k if (time_stepper == 1) then ! 1st order TVD RK + $:GPU_PARALLEL_LOOP(private='[k]') - do k = 1, nBubs + do k = 1, n_el_bubs_loc ! u{1} = u{n} + dt * RHS{n} intfc_rad(k, 1) = intfc_rad(k, 1) + dt*intfc_draddt(k, 1) intfc_vel(k, 1) = intfc_vel(k, 1) + dt*intfc_dveldt(k, 1) - mtn_pos(k,1:3,1) = mtn_pos(k,1:3,1) + dt*mtn_dposdt(k,1:3,1) - mtn_vel(k,1:3,1) = mtn_vel(k,1:3,1) + dt*mtn_dveldt(k,1:3,1) gas_p(k, 1) = gas_p(k, 1) + dt*gas_dpdt(k, 1) gas_mv(k, 1) = gas_mv(k, 1) + dt*gas_dmvdt(k, 1) + if (moving_lag_bubbles) then + mtn_posPrev(k,1:3,1) = mtn_pos(k,1:3,1) + mtn_pos(k,1:3,1) = mtn_pos(k,1:3,1) + dt*mtn_dposdt(k,1:3,1) + mtn_vel(k,1:3,1) = mtn_vel(k,1:3,1) + dt*mtn_dveldt(k,1:3,1) + end if end do $:END_GPU_PARALLEL_LOOP() call s_transfer_data_to_tmp() - call s_write_void_evol(mytime) + if (moving_lag_bubbles) call s_enforce_EL_bubbles_boundary_conditions(q_prim_vf) + call s_smear_voidfraction(bc_type) + if (lag_params%write_void_evol) call s_write_void_evol(mytime) if (lag_params%write_bubbles_stats) call s_calculate_lag_bubble_stats() - if (lag_params%write_bubbles) then $:GPU_UPDATE(host='[gas_p, gas_mv, intfc_rad, intfc_vel]') - call s_write_lag_particles(mytime) + call s_write_lag_bubble_evol(mytime) end if else if (time_stepper == 2) then ! 2nd order TVD RK if (stage == 1) then $:GPU_PARALLEL_LOOP(private='[k]') - do k = 1, nBubs + do k = 1, n_el_bubs_loc ! u{1} = u{n} + dt * RHS{n} intfc_rad(k, 2) = intfc_rad(k, 1) + dt*intfc_draddt(k, 1) intfc_vel(k, 2) = intfc_vel(k, 1) + dt*intfc_dveldt(k, 1) - mtn_pos(k,1:3,2) = mtn_pos(k,1:3,1) + dt*mtn_dposdt(k,1:3,1) - mtn_vel(k,1:3,2) = mtn_vel(k,1:3,1) + dt*mtn_dveldt(k,1:3,1) gas_p(k, 2) = gas_p(k, 1) + dt*gas_dpdt(k, 1) gas_mv(k, 2) = gas_mv(k, 1) + dt*gas_dmvdt(k, 1) + if (moving_lag_bubbles) then + mtn_posPrev(k,1:3,2) = mtn_pos(k,1:3,1) + mtn_pos(k,1:3,2) = mtn_pos(k,1:3,1) + dt*mtn_dposdt(k,1:3,1) + mtn_vel(k,1:3,2) = mtn_vel(k,1:3,1) + dt*mtn_dveldt(k,1:3,1) + end if end do $:END_GPU_PARALLEL_LOOP() + + if (moving_lag_bubbles) call s_enforce_EL_bubbles_boundary_conditions(q_prim_vf) + call s_smear_voidfraction(bc_type) else if (stage == 2) then $:GPU_PARALLEL_LOOP(private='[k]') - do k = 1, nBubs + do k = 1, n_el_bubs_loc ! u{1} = u{n} + (1/2) * dt * (RHS{n} + RHS{1}) intfc_rad(k, 1) = intfc_rad(k, 1) + dt*(intfc_draddt(k, 1) + intfc_draddt(k, 2))/2._wp intfc_vel(k, 1) = intfc_vel(k, 1) + dt*(intfc_dveldt(k, 1) + intfc_dveldt(k, 2))/2._wp - mtn_pos(k,1:3,1) = mtn_pos(k,1:3,1) + dt*(mtn_dposdt(k,1:3,1) + mtn_dposdt(k,1:3,2))/2._wp - mtn_vel(k,1:3,1) = mtn_vel(k,1:3,1) + dt*(mtn_dveldt(k,1:3,1) + mtn_dveldt(k,1:3,2))/2._wp gas_p(k, 1) = gas_p(k, 1) + dt*(gas_dpdt(k, 1) + gas_dpdt(k, 2))/2._wp gas_mv(k, 1) = gas_mv(k, 1) + dt*(gas_dmvdt(k, 1) + gas_dmvdt(k, 2))/2._wp + if (moving_lag_bubbles) then + mtn_posPrev(k,1:3,1) = mtn_pos(k,1:3,2) + mtn_pos(k,1:3,1) = mtn_pos(k,1:3,1) + dt*(mtn_dposdt(k,1:3,1) + mtn_dposdt(k,1:3,2))/2._wp + mtn_vel(k,1:3,1) = mtn_vel(k,1:3,1) + dt*(mtn_dveldt(k,1:3,1) + mtn_dveldt(k,1:3,2))/2._wp + end if end do $:END_GPU_PARALLEL_LOOP() call s_transfer_data_to_tmp() - call s_write_void_evol(mytime) + if (moving_lag_bubbles) call s_enforce_EL_bubbles_boundary_conditions(q_prim_vf) + call s_smear_voidfraction(bc_type) + if (lag_params%write_void_evol) call s_write_void_evol(mytime) if (lag_params%write_bubbles_stats) call s_calculate_lag_bubble_stats() - if (lag_params%write_bubbles) then $:GPU_UPDATE(host='[gas_p, gas_mv, intfc_rad, intfc_vel]') - call s_write_lag_particles(mytime) + call s_write_lag_bubble_evol(mytime) end if end if else if (time_stepper == 3) then ! 3rd order TVD RK if (stage == 1) then $:GPU_PARALLEL_LOOP(private='[k]') - do k = 1, nBubs + do k = 1, n_el_bubs_loc ! u{1} = u{n} + dt * RHS{n} intfc_rad(k, 2) = intfc_rad(k, 1) + dt*intfc_draddt(k, 1) intfc_vel(k, 2) = intfc_vel(k, 1) + dt*intfc_dveldt(k, 1) - mtn_pos(k,1:3,2) = mtn_pos(k,1:3,1) + dt*mtn_dposdt(k,1:3,1) - mtn_vel(k,1:3,2) = mtn_vel(k,1:3,1) + dt*mtn_dveldt(k,1:3,1) gas_p(k, 2) = gas_p(k, 1) + dt*gas_dpdt(k, 1) gas_mv(k, 2) = gas_mv(k, 1) + dt*gas_dmvdt(k, 1) + if (moving_lag_bubbles) then + mtn_posPrev(k,1:3,2) = mtn_pos(k,1:3,1) + mtn_pos(k,1:3,2) = mtn_pos(k,1:3,1) + dt*mtn_dposdt(k,1:3,1) + mtn_vel(k,1:3,2) = mtn_vel(k,1:3,1) + dt*mtn_dveldt(k,1:3,1) + end if end do $:END_GPU_PARALLEL_LOOP() + + if (moving_lag_bubbles) call s_enforce_EL_bubbles_boundary_conditions(q_prim_vf) + call s_smear_voidfraction(bc_type) else if (stage == 2) then $:GPU_PARALLEL_LOOP(private='[k]') - do k = 1, nBubs + do k = 1, n_el_bubs_loc ! u{2} = u{n} + (1/4) * dt * [RHS{n} + RHS{1}] intfc_rad(k, 2) = intfc_rad(k, 1) + dt*(intfc_draddt(k, 1) + intfc_draddt(k, 2))/4._wp intfc_vel(k, 2) = intfc_vel(k, 1) + dt*(intfc_dveldt(k, 1) + intfc_dveldt(k, 2))/4._wp - mtn_pos(k,1:3,2) = mtn_pos(k,1:3,1) + dt*(mtn_dposdt(k,1:3,1) + mtn_dposdt(k,1:3,2))/4._wp - mtn_vel(k,1:3,2) = mtn_vel(k,1:3,1) + dt*(mtn_dveldt(k,1:3,1) + mtn_dveldt(k,1:3,2))/4._wp gas_p(k, 2) = gas_p(k, 1) + dt*(gas_dpdt(k, 1) + gas_dpdt(k, 2))/4._wp gas_mv(k, 2) = gas_mv(k, 1) + dt*(gas_dmvdt(k, 1) + gas_dmvdt(k, 2))/4._wp + if (moving_lag_bubbles) then + mtn_posPrev(k,1:3,2) = mtn_pos(k,1:3,2) + mtn_pos(k,1:3,2) = mtn_pos(k,1:3,1) + dt*(mtn_dposdt(k,1:3,1) + mtn_dposdt(k,1:3,2))/4._wp + mtn_vel(k,1:3,2) = mtn_vel(k,1:3,1) + dt*(mtn_dveldt(k,1:3,1) + mtn_dveldt(k,1:3,2))/4._wp + end if end do $:END_GPU_PARALLEL_LOOP() + + if (moving_lag_bubbles) call s_enforce_EL_bubbles_boundary_conditions(q_prim_vf) + call s_smear_voidfraction(bc_type) else if (stage == 3) then $:GPU_PARALLEL_LOOP(private='[k]') - do k = 1, nBubs + do k = 1, n_el_bubs_loc ! u{n+1} = u{n} + (2/3) * dt * [(1/4)* RHS{n} + (1/4)* RHS{1} + RHS{2}] intfc_rad(k, 1) = intfc_rad(k, 1) + (2._wp/3._wp)*dt*(intfc_draddt(k, 1)/4._wp + intfc_draddt(k, & & 2)/4._wp + intfc_draddt(k, 3)) intfc_vel(k, 1) = intfc_vel(k, 1) + (2._wp/3._wp)*dt*(intfc_dveldt(k, 1)/4._wp + intfc_dveldt(k, & & 2)/4._wp + intfc_dveldt(k, 3)) - mtn_pos(k,1:3,1) = mtn_pos(k,1:3,1) + (2._wp/3._wp)*dt*(mtn_dposdt(k,1:3,1)/4._wp + mtn_dposdt(k,1:3, & - & 2)/4._wp + mtn_dposdt(k,1:3,3)) - mtn_vel(k,1:3,1) = mtn_vel(k,1:3,1) + (2._wp/3._wp)*dt*(mtn_dveldt(k,1:3,1)/4._wp + mtn_dveldt(k,1:3, & - & 2)/4._wp + mtn_dveldt(k,1:3,3)) gas_p(k, 1) = gas_p(k, 1) + (2._wp/3._wp)*dt*(gas_dpdt(k, 1)/4._wp + gas_dpdt(k, 2)/4._wp + gas_dpdt(k, 3)) gas_mv(k, 1) = gas_mv(k, 1) + (2._wp/3._wp)*dt*(gas_dmvdt(k, 1)/4._wp + gas_dmvdt(k, 2)/4._wp + gas_dmvdt(k, 3)) + if (moving_lag_bubbles) then + mtn_posPrev(k,1:3,1) = mtn_pos(k,1:3,2) + mtn_pos(k,1:3,1) = mtn_pos(k,1:3,1) + (2._wp/3._wp)*dt*(mtn_dposdt(k,1:3,1)/4._wp + mtn_dposdt(k,1:3, & + & 2)/4._wp + mtn_dposdt(k,1:3,3)) + mtn_vel(k,1:3,1) = mtn_vel(k,1:3,1) + (2._wp/3._wp)*dt*(mtn_dveldt(k,1:3,1)/4._wp + mtn_dveldt(k,1:3, & + & 2)/4._wp + mtn_dveldt(k,1:3,3)) + end if end do $:END_GPU_PARALLEL_LOOP() call s_transfer_data_to_tmp() - call s_write_void_evol(mytime) + if (moving_lag_bubbles) call s_enforce_EL_bubbles_boundary_conditions(q_prim_vf) + call s_smear_voidfraction(bc_type) + if (lag_params%write_void_evol) call s_write_void_evol(mytime) if (lag_params%write_bubbles_stats) call s_calculate_lag_bubble_stats() - if (lag_params%write_bubbles) then $:GPU_UPDATE(host='[gas_p, gas_mv, gas_mg, intfc_rad, intfc_vel]') - call s_write_lag_particles(mytime) + call s_write_lag_bubble_evol(mytime) end if end if end if end subroutine s_update_lagrange_tdv_rk - !> Locate the cell index for a given physical position + !> This subroutine enforces reflective and wall boundary conditions for EL bubbles + !! @param dest Destination for the bubble position update + impure subroutine s_enforce_EL_bubbles_boundary_conditions(q_prim_vf) + + type(scalar_field), dimension(sys_size), intent(in) :: q_prim_vf + integer :: k, i, q + integer :: patch_id, newBubs, new_idx + real(wp) :: offset + integer, dimension(3) :: cell + + call nvtxStartRange("LAG-BC") + call nvtxStartRange("LAG-BC-DEV2HOST") + $:GPU_UPDATE(host='[bub_R0, Rmax_stats, Rmin_stats, gas_mg, gas_betaT, gas_betaC, bub_dphidt, lag_id, gas_p, gas_mv, & + & intfc_rad, intfc_vel, mtn_pos, mtn_posPrev, mtn_vel, mtn_s, intfc_draddt, intfc_dveldt, gas_dpdt, & + & gas_dmvdt, mtn_dposdt, mtn_dveldt, keep_bubble, n_el_bubs_loc, wrap_bubble_dir, wrap_bubble_loc]') + call nvtxEndRange + + ! Handle MPI transfer of bubbles going to another processor's local domain + if (num_procs > 1) then + call nvtxStartRange("LAG-BC-TRANSFER-LIST") + call s_add_particles_to_transfer_list(n_el_bubs_loc, mtn_pos(:,:,2), mtn_posPrev(:,:,2)) + call nvtxEndRange + + call nvtxStartRange("LAG-BC-SENDRECV") + call s_mpi_sendrecv_particles(bub_R0, Rmax_stats, Rmin_stats, gas_mg, gas_betaT, gas_betaC, bub_dphidt, lag_id, & + & gas_p, gas_mv, intfc_rad, intfc_vel, mtn_pos, mtn_posPrev, mtn_vel, mtn_s, & + & intfc_draddt, intfc_dveldt, gas_dpdt, gas_dmvdt, mtn_dposdt, mtn_dveldt, lag_num_ts, & + & n_el_bubs_loc, 2) + call nvtxEndRange + end if + + call nvtxStartRange("LAG-BC-HOST2DEV") + $:GPU_UPDATE(device='[bub_R0, Rmax_stats, Rmin_stats, gas_mg, gas_betaT, gas_betaC, bub_dphidt, lag_id, gas_p, gas_mv, & + & intfc_rad, intfc_vel, mtn_pos, mtn_posPrev, mtn_vel, mtn_s, intfc_draddt, intfc_dveldt, gas_dpdt, & + & gas_dmvdt, mtn_dposdt, mtn_dveldt, n_el_bubs_loc]') + call nvtxEndRange + + $:GPU_PARALLEL_LOOP(private='[k, cell]') + do k = 1, n_el_bubs_loc + keep_bubble(k) = 1 + wrap_bubble_loc(k,:) = 0 + wrap_bubble_dir(k,:) = 0 + + ! Relocate bubbles at solid boundaries and delete bubbles that leave buffer regions + if (any(bc_x%beg == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, BC_NO_SLIP_WALL/)) .and. mtn_pos(k, 1, & + & 2) < x_cb(-1) + intfc_rad(k, 2)) then + mtn_pos(k, 1, 2) = x_cb(-1) + intfc_rad(k, 2) + else if (any(bc_x%end == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, BC_NO_SLIP_WALL/)) .and. mtn_pos(k, 1, & + & 2) > x_cb(m) - intfc_rad(k, 2)) then + mtn_pos(k, 1, 2) = x_cb(m) - intfc_rad(k, 2) + else if (bc_x%beg == BC_PERIODIC .and. mtn_pos(k, 1, 2) < pcomm_coords(1)%beg .and. mtn_posPrev(k, 1, & + & 2) >= pcomm_coords(1)%beg) then + wrap_bubble_dir(k, 1) = 1 + wrap_bubble_loc(k, 1) = -1 + else if (bc_x%end == BC_PERIODIC .and. mtn_pos(k, 1, 2) > pcomm_coords(1)%end .and. mtn_posPrev(k, 1, & + & 2) <= pcomm_coords(1)%end) then + wrap_bubble_dir(k, 1) = 1 + wrap_bubble_loc(k, 1) = 1 + else if (mtn_pos(k, 1, 2) >= x_cb(m)) then + keep_bubble(k) = 0 + else if (mtn_pos(k, 1, 2) < x_cb(-1)) then + keep_bubble(k) = 0 + end if + + if (any(bc_y%beg == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, BC_NO_SLIP_WALL/)) .and. mtn_pos(k, 2, & + & 2) < y_cb(-1) + intfc_rad(k, 2)) then + mtn_pos(k, 2, 2) = y_cb(-1) + intfc_rad(k, 2) + else if (any(bc_y%end == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, BC_NO_SLIP_WALL/)) .and. mtn_pos(k, 2, & + & 2) > y_cb(n) - intfc_rad(k, 2)) then + mtn_pos(k, 2, 2) = y_cb(n) - intfc_rad(k, 2) + else if (bc_y%beg == BC_PERIODIC .and. mtn_pos(k, 2, 2) < pcomm_coords(2)%beg .and. mtn_posPrev(k, 2, & + & 2) >= pcomm_coords(2)%beg) then + wrap_bubble_dir(k, 2) = 1 + wrap_bubble_loc(k, 2) = -1 + else if (bc_y%end == BC_PERIODIC .and. mtn_pos(k, 2, 2) > pcomm_coords(2)%end .and. mtn_posPrev(k, 2, & + & 2) <= pcomm_coords(2)%end) then + wrap_bubble_dir(k, 2) = 1 + wrap_bubble_loc(k, 2) = 1 + else if (mtn_pos(k, 2, 2) >= y_cb(n)) then + keep_bubble(k) = 0 + else if (mtn_pos(k, 2, 2) < y_cb(-1)) then + keep_bubble(k) = 0 + end if + + if (p > 0) then + if (any(bc_z%beg == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, BC_NO_SLIP_WALL/)) .and. mtn_pos(k, 3, & + & 2) < z_cb(-1) + intfc_rad(k, 2)) then + mtn_pos(k, 3, 2) = z_cb(-1) + intfc_rad(k, 2) + else if (any(bc_z%end == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, BC_NO_SLIP_WALL/)) .and. mtn_pos(k, 3, & + & 2) > z_cb(p) - intfc_rad(k, 2)) then + mtn_pos(k, 3, 2) = z_cb(p) - intfc_rad(k, 2) + else if (bc_z%beg == BC_PERIODIC .and. mtn_pos(k, 3, 2) < pcomm_coords(3)%beg .and. mtn_posPrev(k, 3, & + & 2) >= pcomm_coords(3)%beg) then + wrap_bubble_dir(k, 3) = 1 + wrap_bubble_loc(k, 3) = -1 + else if (bc_z%end == BC_PERIODIC .and. mtn_pos(k, 3, 2) > pcomm_coords(3)%end .and. mtn_posPrev(k, 3, & + & 2) <= pcomm_coords(3)%end) then + wrap_bubble_dir(k, 3) = 1 + wrap_bubble_loc(k, 3) = 1 + else if (mtn_pos(k, 3, 2) >= z_cb(p)) then + keep_bubble(k) = 0 + else if (mtn_pos(k, 3, 2) < z_cb(-1)) then + keep_bubble(k) = 0 + end if + end if + + if (keep_bubble(k) == 1) then + ! Remove bubbles that are no longer in a liquid + cell = fd_number - buff_size + call s_locate_cell(mtn_pos(k,1:3,2), cell, mtn_s(k,1:3,2)) + + if (q_prim_vf(advxb)%sf(cell(1), cell(2), cell(3)) < (1._wp - lag_params%valmaxvoid)) then + keep_bubble(k) = 0 + end if + end if + end do + $:END_GPU_PARALLEL_LOOP() + + if (n_el_bubs_loc > 0) then + call nvtxStartRange("LAG-BC-DEV2HOST") + $:GPU_UPDATE(host='[bub_R0, Rmax_stats, Rmin_stats, gas_mg, gas_betaT, gas_betaC, bub_dphidt, lag_id, gas_p, gas_mv, & + & intfc_rad, intfc_vel, mtn_pos, mtn_posPrev, mtn_vel, mtn_s, intfc_draddt, intfc_dveldt, gas_dpdt, & + & gas_dmvdt, mtn_dposdt, mtn_dveldt, keep_bubble, n_el_bubs_loc, wrap_bubble_dir, wrap_bubble_loc]') + call nvtxEndRange + + newBubs = 0 + do k = 1, n_el_bubs_loc + if (keep_bubble(k) == 1) then + newBubs = newBubs + 1 + if (newBubs /= k) then + call s_copy_lag_bubble(newBubs, k) + wrap_bubble_dir(newBubs,:) = wrap_bubble_dir(k,:) + wrap_bubble_loc(newBubs,:) = wrap_bubble_loc(k,:) + end if + end if + end do + n_el_bubs_loc = newBubs + + ! Handle periodic wrapping of bubbles on same processor + do k = 1, n_el_bubs_loc + if (any(wrap_bubble_dir(k,:) == 1)) then + do i = 1, num_dims + if (wrap_bubble_dir(k, i) == 1) then + offset = glb_bounds(i)%end - glb_bounds(i)%beg + if (wrap_bubble_loc(k, i) == 1) then + do q = 1, 2 + mtn_pos(k, i, q) = mtn_pos(k, i, q) - offset + mtn_posPrev(k, i, q) = mtn_posPrev(k, i, q) - offset + end do + else if (wrap_bubble_loc(k, i) == -1) then + do q = 1, 2 + mtn_pos(k, i, q) = mtn_pos(k, i, q) + offset + mtn_posPrev(k, i, q) = mtn_posPrev(k, i, q) + offset + end do + end if + end if + end do + end if + end do + call nvtxStartRange("LAG-BC-HOST2DEV") + $:GPU_UPDATE(device='[bub_R0, Rmax_stats, Rmin_stats, gas_mg, gas_betaT, gas_betaC, bub_dphidt, lag_id, gas_p, & + & gas_mv, intfc_rad, intfc_vel, mtn_pos, mtn_posPrev, mtn_vel, mtn_s, intfc_draddt, intfc_dveldt, & + & gas_dpdt, gas_dmvdt, mtn_dposdt, mtn_dveldt, n_el_bubs_loc]') + call nvtxEndRange + end if + + $:GPU_PARALLEL_LOOP(private='[cell]') + do k = 1, n_el_bubs_loc + cell = fd_number - buff_size + call s_locate_cell(mtn_pos(k,1:3,2), cell, mtn_s(k,1:3,2)) + end do + $:END_GPU_PARALLEL_LOOP() + + call nvtxEndRange ! LAG-BC + + end subroutine s_enforce_EL_bubbles_boundary_conditions + + !> This subroutine returns the computational coordinate of the cell for the given position. + !! @param pos Input coordinates + !! @param cell Computational coordinate of the cell + !! @param scoord Calculated particle coordinates subroutine s_locate_cell(pos, cell, scoord) + $:GPU_ROUTINE(function_name='s_locate_cell',parallelism='[seq]', cray_inline=True) + real(wp), dimension(3), intent(in) :: pos real(wp), dimension(3), intent(out) :: scoord integer, dimension(3), intent(inout) :: cell @@ -1095,7 +1521,7 @@ contains cell(1) = cell(1) - 1 end do - do while (pos(1) > x_cb(cell(1))) + do while (pos(1) >= x_cb(cell(1))) cell(1) = cell(1) + 1 end do @@ -1103,7 +1529,7 @@ contains cell(2) = cell(2) - 1 end do - do while (pos(2) > y_cb(cell(2))) + do while (pos(2) >= y_cb(cell(2))) cell(2) = cell(2) + 1 end do @@ -1111,7 +1537,7 @@ contains do while (pos(3) < z_cb(cell(3) - 1)) cell(3) = cell(3) - 1 end do - do while (pos(3) > z_cb(cell(3))) + do while (pos(3) >= z_cb(cell(3))) cell(3) = cell(3) + 1 end do end if @@ -1132,13 +1558,13 @@ contains end subroutine s_locate_cell - !> Transfer data into the temporal variables + !> This subroutine transfer data into the temporal variables. impure subroutine s_transfer_data_to_tmp() integer :: k $:GPU_PARALLEL_LOOP(private='[k]') - do k = 1, nBubs + do k = 1, n_el_bubs_loc gas_p(k, 2) = gas_p(k, 1) gas_mv(k, 2) = gas_mv(k, 1) intfc_rad(k, 2) = intfc_rad(k, 1) @@ -1152,7 +1578,9 @@ contains end subroutine s_transfer_data_to_tmp - !> Determine if a bubble position lies within the current MPI subdomain including ghost cells + !> The purpose of this procedure is to determine if the global coordinates of the bubbles are present in the current MPI + !! processor (including ghost cells). + !! @param pos_part Spatial coordinates of the bubble function particle_in_domain(pos_part) logical :: particle_in_domain @@ -1162,22 +1590,23 @@ contains if (p == 0 .and. cyl_coord .neqv. .true.) then ! Defining a virtual z-axis that has the same dimensions as y-axis defined in the input file - particle_in_domain = ((pos_part(1) < x_cb(m + buff_size)) .and. (pos_part(1) >= x_cb(-buff_size - 1)) & - & .and. (pos_part(2) < y_cb(n + buff_size)) .and. (pos_part(2) >= y_cb(-buff_size - 1)) & - & .and. (pos_part(3) < lag_params%charwidth/2._wp) .and. (pos_part(3) >= & - & -lag_params%charwidth/2._wp)) + particle_in_domain = ((pos_part(1) < x_cb(m + buff_size - fd_number)) .and. (pos_part(1) >= x_cb(fd_number & + & - buff_size - 1)) .and. (pos_part(2) < y_cb(n + buff_size - fd_number)) .and. (pos_part(2) & + & >= y_cb(fd_number - buff_size - 1)) .and. (pos_part(3) < lag_params%charwidth/2._wp) & + & .and. (pos_part(3) > -lag_params%charwidth/2._wp)) else ! cyl_coord - particle_in_domain = ((pos_part(1) < x_cb(m + buff_size)) .and. (pos_part(1) >= x_cb(-buff_size - 1)) & - & .and. (abs(pos_part(2)) < y_cb(n + buff_size)) .and. (abs(pos_part(2)) >= max(y_cb(-buff_size & - & - 1), 0._wp))) + particle_in_domain = ((pos_part(1) < x_cb(m + buff_size - fd_number)) .and. (pos_part(1) >= x_cb(fd_number & + & - buff_size - 1)) .and. (abs(pos_part(2)) < y_cb(n + buff_size - fd_number)) & + & .and. (abs(pos_part(2)) >= max(y_cb(fd_number - buff_size - 1), 0._wp))) end if ! 3D if (p > 0) then - particle_in_domain = ((pos_part(1) < x_cb(m + buff_size)) .and. (pos_part(1) >= x_cb(-buff_size - 1)) & - & .and. (pos_part(2) < y_cb(n + buff_size)) .and. (pos_part(2) >= y_cb(-buff_size - 1)) & - & .and. (pos_part(3) < z_cb(p + buff_size)) .and. (pos_part(3) >= z_cb(-buff_size - 1))) + particle_in_domain = ((pos_part(1) < x_cb(m + buff_size - fd_number)) .and. (pos_part(1) >= x_cb(fd_number & + & - buff_size - 1)) .and. (pos_part(2) < y_cb(n + buff_size - fd_number)) .and. (pos_part(2) & + & >= y_cb(fd_number - buff_size - 1)) .and. (pos_part(3) < z_cb(p + buff_size - fd_number)) & + & .and. (pos_part(3) >= z_cb(fd_number - buff_size - 1))) end if ! For symmetric and wall boundary condition @@ -1204,7 +1633,9 @@ contains end function particle_in_domain - !> Determine if a Lagrangian bubble is within the physical domain excluding ghost cells + !> The purpose of this procedure is to determine if the lagrangian bubble is located in the physical domain. The ghost cells are + !! not part of the physical domain. + !! @param pos_part Spatial coordinates of the bubble function particle_in_domain_physical(pos_part) logical :: particle_in_domain_physical @@ -1220,7 +1651,11 @@ contains end function particle_in_domain_physical - !> Compute the gradient of a scalar field using second-order central differences on a non-uniform grid + !> The purpose of this procedure is to calculate the gradient of a scalar field along the x, y and z directions following a + !! second-order central difference considering uneven widths + !! @param q Input scalar field + !! @param dq Output gradient of q + !! @param dir Gradient spatial direction subroutine s_gradient_dir(q, dq, dir) real(stp), dimension(idwbuff(1)%beg:,idwbuff(2)%beg:,idwbuff(3)%beg:), intent(inout) :: q, dq @@ -1270,7 +1705,8 @@ contains end subroutine s_gradient_dir - !> Write Lagrangian bubble state data at each time step + !> Subroutine that writes on each time step the changes of the lagrangian bubbles. + !! @param qtime Current time impure subroutine s_write_lag_particles(qtime) real(wp), intent(in) :: qtime @@ -1281,7 +1717,7 @@ contains write (file_loc, '(A,I0,A)') 'lag_bubble_evol_', proc_rank, '.dat' file_loc = trim(case_dir) // '/D/' // trim(file_loc) - inquire (FILE=trim(file_loc), EXIST=file_exist) + call my_inquire(trim(file_loc), file_exist) if (precision == 1) then FMT = "(A16,A14,8A16)" @@ -1290,13 +1726,52 @@ contains end if if (.not. file_exist) then - open (11, FILE=trim(file_loc), form='formatted', position='rewind') - write (11, FMT) 'currentTime', 'particleID', 'x', 'y', 'z', 'coreVaporMass', 'coreVaporConcentration', 'radius', & - & 'interfaceVelocity', 'corePressure' + open (LAG_EVOL_ID, FILE=trim(file_loc), form='formatted', position='rewind') + write (LAG_EVOL_ID, FMT) 'currentTime', 'particleID', 'x', 'y', 'z', 'coreVaporMass', 'coreVaporConcentration', & + & 'radius', 'interfaceVelocity', 'corePressure' else - open (11, FILE=trim(file_loc), form='formatted', position='append') + open (LAG_EVOL_ID, FILE=trim(file_loc), form='formatted', position='append') end if + end subroutine s_write_lag_particles + + !> @Brief Subroutine that opens the file to write the evolution of the lagrangian bubbles on each time step. + impure subroutine s_open_lag_bubble_evol() + + character(LEN=path_len + 2*name_len) :: file_loc + logical :: file_exist + character(LEN=25) :: FMT + + write (file_loc, '(A,I0,A)') 'lag_bubble_evol_', proc_rank, '.dat' + file_loc = trim(case_dir) // '/D/' // trim(file_loc) + call my_inquire(trim(file_loc), file_exist) + + if (precision == 1) then + FMT = "(A16,A14,8A16)" + else + FMT = "(A24,A14,8A24)" + end if + + if (.not. file_exist) then + open (LAG_EVOL_ID, FILE=trim(file_loc), form='formatted', position='rewind') + write (LAG_EVOL_ID, FMT) 'currentTime', 'particleID', 'x', 'y', 'z', 'coreVaporMass', 'coreVaporConcentration', & + & 'radius', 'interfaceVelocity', 'corePressure' + else + open (LAG_EVOL_ID, FILE=trim(file_loc), form='formatted', position='append') + end if + + end subroutine s_open_lag_bubble_evol + + !> Subroutine that writes on each time step the changes of the lagrangian bubbles. + !! @param q_time Current time + impure subroutine s_write_lag_bubble_evol(qtime) + + real(wp), intent(in) :: qtime + integer :: k, ios + character(LEN=25) :: FMT + character(LEN=path_len + 2*name_len) :: file_loc, path + logical :: file_exist + if (precision == 1) then FMT = "(F16.8,I14,8F16.8)" else @@ -1304,37 +1779,53 @@ contains end if ! Cycle through list - do k = 1, nBubs - write (11, FMT) qtime, lag_id(k, 1), mtn_pos(k, 1, 1), mtn_pos(k, 2, 1), mtn_pos(k, 3, 1), gas_mv(k, 1), gas_mv(k, & - & 1)/(gas_mv(k, 1) + gas_mg(k)), intfc_rad(k, 1), intfc_vel(k, 1), gas_p(k, 1) + do k = 1, n_el_bubs_loc + write (LAG_EVOL_ID, FMT) qtime, lag_id(k, 1), mtn_pos(k, 1, 1), mtn_pos(k, 2, 1), mtn_pos(k, 3, 1), gas_mv(k, 1), & + & gas_mv(k, 1)/(gas_mv(k, 1) + gas_mg(k)), intfc_rad(k, 1), intfc_vel(k, 1), gas_p(k, 1) end do - close (11) + end subroutine s_write_lag_bubble_evol - end subroutine s_write_lag_particles + impure subroutine s_close_lag_bubble_evol - !> Write void fraction statistics at each time step - impure subroutine s_write_void_evol(qtime) + close (LAG_EVOL_ID) + + end subroutine s_close_lag_bubble_evol + + subroutine s_open_void_evol - real(wp), intent(in) :: qtime - real(wp) :: volcell, voltot - real(wp) :: lag_void_max, lag_void_avg, lag_vol - real(wp) :: void_max_glb, void_avg_glb, vol_glb - integer :: i, j, k character(LEN=path_len + 2*name_len) :: file_loc logical :: file_exist if (proc_rank == 0) then write (file_loc, '(A)') 'voidfraction.dat' file_loc = trim(case_dir) // '/D/' // trim(file_loc) - inquire (FILE=trim(file_loc), EXIST=file_exist) + call my_inquire(trim(file_loc), file_exist) if (.not. file_exist) then - open (12, FILE=trim(file_loc), form='formatted', position='rewind') + open (LAG_VOID_ID, FILE=trim(file_loc), form='formatted', position='rewind') + ! write (12, *) 'currentTime, averageVoidFraction, ', & 'maximumVoidFraction, totalParticlesVolume' write (12, *) + ! 'The averageVoidFraction value does ', & 'not reflect the real void fraction in the cloud since the ', & 'cells + ! which do not have bubbles are not accounted' else - open (12, FILE=trim(file_loc), form='formatted', position='append') + open (LAG_VOID_ID, FILE=trim(file_loc), form='formatted', position='append') end if end if + end subroutine s_open_void_evol + + !> Subroutine that writes some useful statistics related to the volume fraction of the particles (void fraction) in the + !! computational domain on each time step. + !! @param qtime Current time + impure subroutine s_write_void_evol(qtime) + + real(wp), intent(in) :: qtime + real(wp) :: volcell, voltot + real(wp) :: lag_void_max, lag_void_avg, lag_vol + real(wp) :: void_max_glb, void_avg_glb, vol_glb + integer :: i, j, k + character(LEN=path_len + 2*name_len) :: file_loc + logical :: file_exist + lag_void_max = 0._wp lag_void_avg = 0._wp lag_vol = 0._wp @@ -1370,13 +1861,19 @@ contains if (lag_vol > 0._wp) lag_void_avg = lag_void_avg/lag_vol if (proc_rank == 0) then - write (12, '(6X,4e24.8)') qtime, lag_void_avg, lag_void_max, voltot - close (12) + write (LAG_VOID_ID, '(6X,4e24.8)') qtime, lag_void_avg, lag_void_max, voltot end if end subroutine s_write_void_evol - !> Write restart files for the Lagrangian bubble solver + subroutine s_close_void_evol + + if (proc_rank == 0) close (LAG_VOID_ID) + + end subroutine s_close_void_evol + + !> Subroutine that writes the restarting files for the particles in the lagrangian solver. + !! @param t_step Current time step impure subroutine s_write_restart_lag_bubbles(t_step) ! Generic string used to store the address of a particular file @@ -1395,12 +1892,11 @@ contains integer, dimension(2) :: gsizes, lsizes, start_idx_part integer, allocatable :: proc_bubble_counts(:) real(wp), dimension(1:1,1:lag_io_vars) :: dummy - dummy = 0._wp bub_id = 0._wp - if (nBubs /= 0) then - do k = 1, nBubs + if (n_el_bubs_loc /= 0) then + do k = 1, n_el_bubs_loc if (particle_in_domain_physical(mtn_pos(k,1:3,1))) then bub_id = bub_id + 1 end if @@ -1458,26 +1954,25 @@ contains if (bub_id > 0) then allocate (MPI_IO_DATA_lag_bubbles(max(1, bub_id),1:lag_io_vars)) - i = 1 - do k = 1, nBubs - if (particle_in_domain_physical(mtn_pos(k,1:3,1))) then - MPI_IO_DATA_lag_bubbles(i, 1) = real(lag_id(k, 1)) - MPI_IO_DATA_lag_bubbles(i,2:4) = mtn_pos(k,1:3,1) - MPI_IO_DATA_lag_bubbles(i,5:7) = mtn_posPrev(k,1:3,1) - MPI_IO_DATA_lag_bubbles(i,8:10) = mtn_vel(k,1:3,1) - MPI_IO_DATA_lag_bubbles(i, 11) = intfc_rad(k, 1) - MPI_IO_DATA_lag_bubbles(i, 12) = intfc_vel(k, 1) - MPI_IO_DATA_lag_bubbles(i, 13) = bub_R0(k) - MPI_IO_DATA_lag_bubbles(i, 14) = Rmax_stats(k) - MPI_IO_DATA_lag_bubbles(i, 15) = Rmin_stats(k) - MPI_IO_DATA_lag_bubbles(i, 16) = bub_dphidt(k) - MPI_IO_DATA_lag_bubbles(i, 17) = gas_p(k, 1) - MPI_IO_DATA_lag_bubbles(i, 18) = gas_mv(k, 1) - MPI_IO_DATA_lag_bubbles(i, 19) = gas_mg(k) - MPI_IO_DATA_lag_bubbles(i, 20) = gas_betaT(k) - MPI_IO_DATA_lag_bubbles(i, 21) = gas_betaC(k) - i = i + 1 - end if + i = 0 + do k = 1, n_el_bubs_loc + if (.not. particle_in_domain_physical(mtn_pos(k,1:3,1))) cycle + i = i + 1 + MPI_IO_DATA_lag_bubbles(i, 1) = real(lag_id(k, 1)) + MPI_IO_DATA_lag_bubbles(i,2:4) = mtn_pos(k,1:3,1) + MPI_IO_DATA_lag_bubbles(i,5:7) = mtn_posPrev(k,1:3,1) + MPI_IO_DATA_lag_bubbles(i,8:10) = mtn_vel(k,1:3,1) + MPI_IO_DATA_lag_bubbles(i, 11) = intfc_rad(k, 1) + MPI_IO_DATA_lag_bubbles(i, 12) = intfc_vel(k, 1) + MPI_IO_DATA_lag_bubbles(i, 13) = bub_R0(k) + MPI_IO_DATA_lag_bubbles(i, 14) = Rmax_stats(k) + MPI_IO_DATA_lag_bubbles(i, 15) = Rmin_stats(k) + MPI_IO_DATA_lag_bubbles(i, 16) = bub_dphidt(k) + MPI_IO_DATA_lag_bubbles(i, 17) = gas_p(k, 1) + MPI_IO_DATA_lag_bubbles(i, 18) = gas_mv(k, 1) + MPI_IO_DATA_lag_bubbles(i, 19) = gas_mg(k) + MPI_IO_DATA_lag_bubbles(i, 20) = gas_betaT(k) + MPI_IO_DATA_lag_bubbles(i, 21) = gas_betaC(k) end do call MPI_TYPE_CREATE_SUBARRAY(2, gsizes, lsizes, start_idx_part, MPI_ORDER_FORTRAN, mpi_p, view, ierr) @@ -1516,14 +2011,14 @@ contains end subroutine s_write_restart_lag_bubbles - !> Compute the maximum and minimum radius of each bubble + !> This procedure calculates the maximum and minimum radius of each bubble. subroutine s_calculate_lag_bubble_stats() integer :: k $:GPU_PARALLEL_LOOP(private='[k]', reduction='[[Rmax_glb], [Rmin_glb]]', reductionOp='[MAX, MIN]', & & copy='[Rmax_glb, Rmin_glb]') - do k = 1, nBubs + do k = 1, n_el_bubs_loc Rmax_glb = max(Rmax_glb, intfc_rad(k, 1)/bub_R0(k)) Rmin_glb = min(Rmin_glb, intfc_rad(k, 1)/bub_R0(k)) Rmax_stats(k) = max(Rmax_stats(k), intfc_rad(k, 1)/bub_R0(k)) @@ -1533,17 +2028,15 @@ contains end subroutine s_calculate_lag_bubble_stats - !> Write the maximum and minimum radius statistics for each bubble - impure subroutine s_write_lag_bubble_stats() + impure subroutine s_open_lag_bubble_stats() - integer :: k character(LEN=path_len + 2*name_len) :: file_loc - character(len=20) :: FMT + character(LEN=20) :: FMT + logical :: file_exist write (file_loc, '(A,I0,A)') 'stats_lag_bubbles_', proc_rank, '.dat' file_loc = trim(case_dir) // '/D/' // trim(file_loc) - - $:GPU_UPDATE(host='[Rmax_glb, Rmin_glb]') + call my_inquire(trim(file_loc), file_exist) if (precision == 1) then FMT = "(A10,A14,5A16)" @@ -1551,68 +2044,89 @@ contains FMT = "(A10,A14,5A24)" end if - open (13, FILE=trim(file_loc), form='formatted', position='rewind') - write (13, FMT) 'proc_rank', 'particleID', 'x', 'y', 'z', 'Rmax_glb', 'Rmin_glb' - - if (precision == 1) then - FMT = "(I10,I14,5F16.8)" + if (.not. file_exist) then + open (LAG_STATS_ID, FILE=trim(file_loc), form='formatted', position='rewind') + write (LAG_STATS_ID, *) 'proc_rank, particleID, x, y, z, Rmax_glb, Rmin_glb' else - FMT = "(I10,I14,5F24.16)" + open (LAG_STATS_ID, FILE=trim(file_loc), form='formatted', position='append') end if - do k = 1, nBubs - write (13, FMT) proc_rank, lag_id(k, 1), mtn_pos(k, 1, 1), mtn_pos(k, 2, 1), mtn_pos(k, 3, 1), Rmax_stats(k), & - & Rmin_stats(k) - end do + end subroutine s_open_lag_bubble_stats - close (13) + !> Subroutine that writes the maximum and minimum radius of each bubble. + impure subroutine s_write_lag_bubble_stats() - end subroutine s_write_lag_bubble_stats + integer :: k + character(LEN=path_len + 2*name_len) :: file_loc + character(LEN=20) :: FMT - !> Remove a specific Lagrangian bubble when dt becomes too small - impure subroutine s_remove_lag_bubble(bub_id) + $:GPU_UPDATE(host='[Rmax_glb, Rmin_glb]') - integer, intent(in) :: bub_id - integer :: i + if (precision == 1) then + FMT = "(I10,I14,5F16.8)" + else + FMT = "(I10,I14,5F24.16)" + end if - $:GPU_LOOP(parallelism='[seq]') - do i = bub_id, nBubs - 1 - lag_id(i, 1) = lag_id(i + 1, 1) - bub_R0(i) = bub_R0(i + 1) - Rmax_stats(i) = Rmax_stats(i + 1) - Rmin_stats(i) = Rmin_stats(i + 1) - gas_mg(i) = gas_mg(i + 1) - gas_betaT(i) = gas_betaT(i + 1) - gas_betaC(i) = gas_betaC(i + 1) - bub_dphidt(i) = bub_dphidt(i + 1) - gas_p(i,1:2) = gas_p(i + 1,1:2) - gas_mv(i,1:2) = gas_mv(i + 1,1:2) - intfc_rad(i,1:2) = intfc_rad(i + 1,1:2) - intfc_vel(i,1:2) = intfc_vel(i + 1,1:2) - mtn_pos(i,1:3,1:2) = mtn_pos(i + 1,1:3,1:2) - mtn_posPrev(i,1:3,1:2) = mtn_posPrev(i + 1,1:3,1:2) - mtn_vel(i,1:3,1:2) = mtn_vel(i + 1,1:3,1:2) - mtn_s(i,1:3,1:2) = mtn_s(i + 1,1:3,1:2) - intfc_draddt(i,1:lag_num_ts) = intfc_draddt(i + 1,1:lag_num_ts) - intfc_dveldt(i,1:lag_num_ts) = intfc_dveldt(i + 1,1:lag_num_ts) - gas_dpdt(i,1:lag_num_ts) = gas_dpdt(i + 1,1:lag_num_ts) - gas_dmvdt(i,1:lag_num_ts) = gas_dmvdt(i + 1,1:lag_num_ts) + do k = 1, n_el_bubs_loc + write (LAG_STATS_ID, FMT) proc_rank, lag_id(k, 1), mtn_pos(k, 1, 1), mtn_pos(k, 2, 1), mtn_pos(k, 3, 1), & + & Rmax_stats(k), Rmin_stats(k) end do - nBubs = nBubs - 1 - $:GPU_UPDATE(device='[nBubs]') - - end subroutine s_remove_lag_bubble + end subroutine s_write_lag_bubble_stats - !> Finalize the Lagrangian bubble solver + subroutine s_close_lag_bubble_stats + + close (LAG_STATS_ID) + + end subroutine s_close_lag_bubble_stats + + !> The purpose of this subroutine is to remove one specific particle if dt is too small. + !! @param bub_id Particle id + impure subroutine s_copy_lag_bubble(dest, src) + + integer, intent(in) :: src, dest + + bub_R0(dest) = bub_R0(src) + Rmax_stats(dest) = Rmax_stats(src) + Rmin_stats(dest) = Rmin_stats(src) + gas_mg(dest) = gas_mg(src) + gas_betaT(dest) = gas_betaT(src) + gas_betaC(dest) = gas_betaC(src) + bub_dphidt(dest) = bub_dphidt(src) + lag_id(dest, 1) = lag_id(src, 1) + gas_p(dest,1:2) = gas_p(src,1:2) + gas_mv(dest,1:2) = gas_mv(src,1:2) + intfc_rad(dest,1:2) = intfc_rad(src,1:2) + intfc_vel(dest,1:2) = intfc_vel(src,1:2) + mtn_vel(dest,1:3,1:2) = mtn_vel(src,1:3,1:2) + mtn_s(dest,1:3,1:2) = mtn_s(src,1:3,1:2) + mtn_pos(dest,1:3,1:2) = mtn_pos(src,1:3,1:2) + mtn_posPrev(dest,1:3,1:2) = mtn_posPrev(src,1:3,1:2) + intfc_draddt(dest,1:lag_num_ts) = intfc_draddt(src,1:lag_num_ts) + intfc_dveldt(dest,1:lag_num_ts) = intfc_dveldt(src,1:lag_num_ts) + gas_dpdt(dest,1:lag_num_ts) = gas_dpdt(src,1:lag_num_ts) + gas_dmvdt(dest,1:lag_num_ts) = gas_dmvdt(src,1:lag_num_ts) + mtn_dposdt(dest,1:3,1:lag_num_ts) = mtn_dposdt(src,1:3,1:lag_num_ts) + mtn_dveldt(dest,1:3,1:lag_num_ts) = mtn_dveldt(src,1:3,1:lag_num_ts) + + end subroutine s_copy_lag_bubble + + !> The purpose of this subroutine is to deallocate variables impure subroutine s_finalize_lagrangian_solver() integer :: i + if (lag_params%write_void_evol) call s_close_void_evol + if (lag_params%write_bubbles) call s_close_lag_bubble_evol() + if (lag_params%write_bubbles_stats) call s_close_lag_bubble_stats() + do i = 1, q_beta_idx @:DEALLOCATE(q_beta(i)%sf) + @:DEALLOCATE(kahan_comp(i)%sf) end do @:DEALLOCATE(q_beta) + @:DEALLOCATE(kahan_comp) ! Deallocating space @:DEALLOCATE(lag_id) @@ -1638,6 +2152,28 @@ contains @:DEALLOCATE(mtn_dposdt) @:DEALLOCATE(mtn_dveldt) + @:DEALLOCATE(keep_bubble) + @:DEALLOCATE(wrap_bubble_loc, wrap_bubble_dir) + + ! Deallocate pressure gradient arrays and FD coefficients + if (lag_params%vel_model > 0 .and. lag_params%pressure_force) then + @:DEALLOCATE(grad_p_x) + @:DEALLOCATE(fd_coeff_x_pgrad) + if (n > 0) then + @:DEALLOCATE(grad_p_y) + @:DEALLOCATE(fd_coeff_y_pgrad) + if (p > 0) then + @:DEALLOCATE(grad_p_z) + @:DEALLOCATE(fd_coeff_z_pgrad) + end if + end if + end if + + ! Deallocate cell list arrays + @:DEALLOCATE(cell_list_start) + @:DEALLOCATE(cell_list_count) + @:DEALLOCATE(cell_list_idx) + end subroutine s_finalize_lagrangian_solver end module m_bubbles_EL diff --git a/src/simulation/m_bubbles_EL_kernels.fpp b/src/simulation/m_bubbles_EL_kernels.fpp index f1f80980b0..caa6500512 100644 --- a/src/simulation/m_bubbles_EL_kernels.fpp +++ b/src/simulation/m_bubbles_EL_kernels.fpp @@ -11,166 +11,258 @@ module m_bubbles_EL_kernels implicit none + ! Cell-centered pressure gradients (precomputed for translational motion) + real(wp), allocatable, dimension(:,:,:) :: grad_p_x, grad_p_y, grad_p_z + $:GPU_DECLARE(create='[grad_p_x, grad_p_y, grad_p_z]') + + ! Finite-difference coefficients for pressure gradient computation + real(wp), allocatable, dimension(:,:) :: fd_coeff_x_pgrad + real(wp), allocatable, dimension(:,:) :: fd_coeff_y_pgrad + real(wp), allocatable, dimension(:,:) :: fd_coeff_z_pgrad + $:GPU_DECLARE(create='[fd_coeff_x_pgrad, fd_coeff_y_pgrad, fd_coeff_z_pgrad]') + + ! Cell list for bubble-to-cell mapping (rebuilt each RK stage before smearing) + integer, allocatable, dimension(:,:,:) :: cell_list_start ! (0:m, 0:n, 0:p) + integer, allocatable, dimension(:,:,:) :: cell_list_count ! (0:m, 0:n, 0:p) + integer, allocatable, dimension(:) :: cell_list_idx ! (1:nBubs_glb) sorted bubble indices + $:GPU_DECLARE(create='[cell_list_start, cell_list_count, cell_list_idx]') + contains !> Smear the Lagrangian bubble effects onto the Eulerian grid using the selected kernel - subroutine s_smoothfunction(nBubs, lbk_rad, lbk_vel, lbk_s, lbk_pos, updatedvar) + subroutine s_smoothfunction(nBubs, lbk_rad, lbk_vel, lbk_s, lbk_pos, updatedvar, kcomp) integer, intent(in) :: nBubs real(wp), dimension(1:lag_params%nBubs_glb,1:3,1:2), intent(in) :: lbk_s, lbk_pos real(wp), dimension(1:lag_params%nBubs_glb,1:2), intent(in) :: lbk_rad, lbk_vel type(scalar_field), dimension(:), intent(inout) :: updatedvar + type(scalar_field), dimension(:), intent(inout) :: kcomp smoothfunc:select case(lag_params%smooth_type) case (1) - call s_gaussian(nBubs, lbk_rad, lbk_vel, lbk_s, lbk_pos, updatedvar) + call s_gaussian(nBubs, lbk_rad, lbk_vel, lbk_s, lbk_pos, updatedvar, kcomp) case (2) - call s_deltafunc(nBubs, lbk_rad, lbk_vel, lbk_s, updatedvar) + call s_deltafunc(nBubs, lbk_rad, lbk_vel, lbk_s, updatedvar, kcomp) end select smoothfunc end subroutine s_smoothfunction !> Apply the delta kernel function to map bubble effects onto the containing cell - subroutine s_deltafunc(nBubs, lbk_rad, lbk_vel, lbk_s, updatedvar) + subroutine s_build_cell_list(nBubs, lbk_s) integer, intent(in) :: nBubs real(wp), dimension(1:lag_params%nBubs_glb,1:3,1:2), intent(in) :: lbk_s - real(wp), dimension(1:lag_params%nBubs_glb,1:2), intent(in) :: lbk_rad, lbk_vel - type(scalar_field), dimension(:), intent(inout) :: updatedvar - integer, dimension(3) :: cell - real(wp) :: strength_vel, strength_vol - real(wp) :: addFun1, addFun2, addFun3 - real(wp) :: volpart, Vol + integer :: l, ci, cj, ck, idx real(wp), dimension(3) :: s_coord - integer :: l - $:GPU_PARALLEL_LOOP(private='[l, s_coord, cell]') + ! Bring current bubble positions to host + + $:GPU_UPDATE(host='[lbk_s]') + + ! Pass 1: zero counts and count bubbles per cell + cell_list_count = 0 + do l = 1, nBubs + s_coord(1:3) = lbk_s(l,1:3,2) + ci = int(s_coord(1)) + cj = int(s_coord(2)) + ck = int(s_coord(3)) + ! Clamp to interior (bubbles should already be in [0:m,0:n,0:p]) + ci = max(0, min(ci, m)) + cj = max(0, min(cj, n)) + ck = max(0, min(ck, p)) + cell_list_count(ci, cj, ck) = cell_list_count(ci, cj, ck) + 1 + end do + + ! Prefix sum to compute start indices (1-based into cell_list_idx) + idx = 1 + do ck = 0, p + do cj = 0, n + do ci = 0, m + cell_list_start(ci, cj, ck) = idx + idx = idx + cell_list_count(ci, cj, ck) + end do + end do + end do + + cell_list_count = 0 do l = 1, nBubs - volpart = 4._wp/3._wp*pi*lbk_rad(l, 2)**3._wp s_coord(1:3) = lbk_s(l,1:3,2) - call s_get_cell(s_coord, cell) + ci = int(s_coord(1)) + cj = int(s_coord(2)) + ck = int(s_coord(3)) + ci = max(0, min(ci, m)) + cj = max(0, min(cj, n)) + ck = max(0, min(ck, p)) + cell_list_idx(cell_list_start(ci, cj, ck) + cell_list_count(ci, cj, ck)) = l + cell_list_count(ci, cj, ck) = cell_list_count(ci, cj, ck) + 1 + end do - strength_vol = volpart - strength_vel = 4._wp*pi*lbk_rad(l, 2)**2._wp*lbk_vel(l, 2) + ! Send cell list arrays to GPU + $:GPU_UPDATE(device='[cell_list_start, cell_list_count, cell_list_idx]') - if (num_dims == 2) then - Vol = dx(cell(1))*dy(cell(2))*lag_params%charwidth - if (cyl_coord) Vol = dx(cell(1))*dy(cell(2))*y_cc(cell(2))*2._wp*pi - else - Vol = dx(cell(1))*dy(cell(2))*dz(cell(3)) - end if + end subroutine s_build_cell_list - ! Update void fraction field - addFun1 = strength_vol/Vol - $:GPU_ATOMIC(atomic='update') - updatedvar(1)%sf(cell(1), cell(2), cell(3)) = updatedvar(1)%sf(cell(1), cell(2), cell(3)) + real(addFun1, kind=stp) - - ! Update time derivative of void fraction - addFun2 = strength_vel/Vol - $:GPU_ATOMIC(atomic='update') - updatedvar(2)%sf(cell(1), cell(2), cell(3)) = updatedvar(2)%sf(cell(1), cell(2), cell(3)) + real(addFun2, kind=stp) - - ! Product of two smeared functions Update void fraction * time derivative of void fraction - if (lag_params%cluster_type >= 4) then - addFun3 = (strength_vol*strength_vel)/Vol - $:GPU_ATOMIC(atomic='update') - updatedvar(5)%sf(cell(1), cell(2), cell(3)) = updatedvar(5)%sf(cell(1), cell(2), cell(3)) + real(addFun3, kind=stp) - end if + subroutine s_deltafunc(nBubs, lbk_rad, lbk_vel, lbk_s, updatedvar, kcomp) + + integer, intent(in) :: nBubs + real(wp), dimension(1:lag_params%nBubs_glb,1:3,1:2), intent(in) :: lbk_s + real(wp), dimension(1:lag_params%nBubs_glb,1:2), intent(in) :: lbk_rad, lbk_vel + type(scalar_field), dimension(:), intent(inout) :: updatedvar + type(scalar_field), dimension(:), intent(inout) :: kcomp + real(wp) :: strength_vel, strength_vol + real(wp) :: volpart, Vol + real(wp) :: y_kahan, t_kahan + integer :: i, j, k, lb, bub_idx + + $:GPU_PARALLEL_LOOP(collapse=3, & + & private='[i, j, k, lb, bub_idx, volpart, Vol, strength_vel, strength_vol, y_kahan, t_kahan]') + do k = 0, p + do j = 0, n + do i = 0, m + ! Cell volume + if (num_dims == 2) then + Vol = dx(i)*dy(j)*lag_params%charwidth + if (cyl_coord) Vol = dx(i)*dy(j)*y_cc(j)*2._wp*pi + else + Vol = dx(i)*dy(j)*dz(k) + end if + + ! Loop over bubbles in this cell + $:GPU_LOOP(parallelism='[seq]') + do lb = cell_list_start(i, j, k), cell_list_start(i, j, k) + cell_list_count(i, j, k) - 1 + bub_idx = cell_list_idx(lb) + + volpart = 4._wp/3._wp*pi*lbk_rad(bub_idx, 2)**3._wp + strength_vol = volpart + strength_vel = 4._wp*pi*lbk_rad(bub_idx, 2)**2._wp*lbk_vel(bub_idx, 2) + + ! Kahan summation for void fraction + y_kahan = real(strength_vol/Vol, kind=wp) - kcomp(1)%sf(i, j, k) + t_kahan = updatedvar(1)%sf(i, j, k) + y_kahan + kcomp(1)%sf(i, j, k) = (t_kahan - updatedvar(1)%sf(i, j, k)) - y_kahan + updatedvar(1)%sf(i, j, k) = t_kahan + + ! Kahan summation for time derivative of void fraction + y_kahan = real(strength_vel/Vol, kind=wp) - kcomp(2)%sf(i, j, k) + t_kahan = updatedvar(2)%sf(i, j, k) + y_kahan + kcomp(2)%sf(i, j, k) = (t_kahan - updatedvar(2)%sf(i, j, k)) - y_kahan + updatedvar(2)%sf(i, j, k) = t_kahan + + ! Product of two smeared functions + if (lag_params%cluster_type >= 4) then + y_kahan = real((strength_vol*strength_vel)/Vol, kind=wp) - kcomp(5)%sf(i, j, k) + t_kahan = updatedvar(5)%sf(i, j, k) + y_kahan + kcomp(5)%sf(i, j, k) = (t_kahan - updatedvar(5)%sf(i, j, k)) - y_kahan + updatedvar(5)%sf(i, j, k) = t_kahan + end if + end do + end do + end do end do $:END_GPU_PARALLEL_LOOP() end subroutine s_deltafunc !> Apply the Gaussian kernel function to smear bubble effects onto surrounding cells - subroutine s_gaussian(nBubs, lbk_rad, lbk_vel, lbk_s, lbk_pos, updatedvar) + subroutine s_gaussian(nBubs, lbk_rad, lbk_vel, lbk_s, lbk_pos, updatedvar, kcomp) integer, intent(in) :: nBubs real(wp), dimension(1:lag_params%nBubs_glb,1:3,1:2), intent(in) :: lbk_s, lbk_pos real(wp), dimension(1:lag_params%nBubs_glb,1:2), intent(in) :: lbk_rad, lbk_vel type(scalar_field), dimension(:), intent(inout) :: updatedvar - real(wp), dimension(3) :: center - integer, dimension(3) :: cell - real(wp) :: stddsv + type(scalar_field), dimension(:), intent(inout) :: kcomp + real(wp), dimension(3) :: center, nodecoord, s_coord + integer, dimension(3) :: cell, cellijk + real(wp) :: stddsv, volpart real(wp) :: strength_vel, strength_vol - real(wp), dimension(3) :: nodecoord - real(wp) :: addFun1, addFun2, addFun3 - real(wp) :: func, func2, volpart - integer, dimension(3) :: cellaux - real(wp), dimension(3) :: s_coord - integer :: l, i, j, k - logical :: celloutside - integer :: smearGrid, smearGridz - - smearGrid = mapCells - (-mapCells) + 1 ! Include the cell that contains the bubble (3+1+3) - smearGridz = smearGrid - if (p == 0) smearGridz = 1 - - $:GPU_PARALLEL_LOOP(private='[nodecoord, l, s_coord, cell, center]', copyin='[smearGrid, smearGridz]') - do l = 1, nBubs - nodecoord(1:3) = 0 - center(1:3) = 0._wp - volpart = 4._wp/3._wp*pi*lbk_rad(l, 2)**3._wp - s_coord(1:3) = lbk_s(l,1:3,2) - center(1:2) = lbk_pos(l,1:2,2) - if (p > 0) center(3) = lbk_pos(l, 3, 2) - call s_get_cell(s_coord, cell) - call s_compute_stddsv(cell, volpart, stddsv) - - strength_vol = volpart - strength_vel = 4._wp*pi*lbk_rad(l, 2)**2._wp*lbk_vel(l, 2) - - $:GPU_LOOP(collapse=3,private='[cellaux, nodecoord]') - do i = 1, smearGrid - do j = 1, smearGrid - do k = 1, smearGridz - cellaux(1) = cell(1) + i - (mapCells + 1) - cellaux(2) = cell(2) + j - (mapCells + 1) - cellaux(3) = cell(3) + k - (mapCells + 1) - if (p == 0) cellaux(3) = 0 - - ! Check if the cells intended to smear the bubbles in are in the computational domain and redefine the cells - ! for symmetric boundary - call s_check_celloutside(cellaux, celloutside) - - if (.not. celloutside) then - nodecoord(1) = x_cc(cellaux(1)) - nodecoord(2) = y_cc(cellaux(2)) - if (p > 0) nodecoord(3) = z_cc(cellaux(3)) - call s_applygaussian(center, cellaux, nodecoord, stddsv, 0._wp, func) - if (lag_params%cluster_type >= 4) call s_applygaussian(center, cellaux, nodecoord, stddsv, 1._wp, func2) - - ! Relocate cells for bubbles intersecting symmetric boundaries - if (any((/bc_x%beg, bc_x%end, bc_y%beg, bc_y%end, bc_z%beg, bc_z%end/) == BC_REFLECTIVE)) then - call s_shift_cell_symmetric_bc(cellaux, cell) - end if - else - func = 0._wp - func2 = 0._wp - cellaux(1) = cell(1) - cellaux(2) = cell(2) - cellaux(3) = cell(3) - if (p == 0) cellaux(3) = 0 - end if - - ! Update void fraction field - addFun1 = func*strength_vol - $:GPU_ATOMIC(atomic='update') - updatedvar(1)%sf(cellaux(1), cellaux(2), cellaux(3)) = updatedvar(1)%sf(cellaux(1), cellaux(2), & - & cellaux(3)) + real(addFun1, kind=stp) - - ! Update time derivative of void fraction - addFun2 = func*strength_vel - $:GPU_ATOMIC(atomic='update') - updatedvar(2)%sf(cellaux(1), cellaux(2), cellaux(3)) = updatedvar(2)%sf(cellaux(1), cellaux(2), & - & cellaux(3)) + real(addFun2, kind=stp) - - ! Product of two smeared functions Update void fraction * time derivative of void fraction - if (lag_params%cluster_type >= 4) then - addFun3 = func2*strength_vol*strength_vel - $:GPU_ATOMIC(atomic='update') - updatedvar(5)%sf(cellaux(1), cellaux(2), cellaux(3)) = updatedvar(5)%sf(cellaux(1), cellaux(2), & - & cellaux(3)) + real(addFun3, kind=stp) - end if + real(wp) :: func, func2 + real(wp) :: y_kahan, t_kahan + integer :: i, j, k, di, dj, dk, lb, bub_idx + integer :: di_beg, di_end, dj_beg, dj_end, dk_beg, dk_end + integer :: smear_x_beg, smear_x_end + integer :: smear_y_beg, smear_y_end + integer :: smear_z_beg, smear_z_end + + ! Extended grid range for smearing (includes buffer cells for MPI communication) + + smear_x_beg = -mapCells - 1 + smear_x_end = m + mapCells + 1 + smear_y_beg = merge(-mapCells - 1, 0, n > 0) + smear_y_end = merge(n + mapCells + 1, n, n > 0) + smear_z_beg = merge(-mapCells - 1, 0, p > 0) + smear_z_end = merge(p + mapCells + 1, p, p > 0) + + $:GPU_PARALLEL_LOOP(collapse=3, private='[i, j, k, di, dj, dk, lb, bub_idx, center, nodecoord, s_coord, cell, cellijk, & + & stddsv, volpart, strength_vel, strength_vol, func, func2, y_kahan, t_kahan, di_beg, di_end, dj_beg, & + & dj_end, dk_beg, dk_end]', copyin='[smear_x_beg, smear_x_end, smear_y_beg, smear_y_end, smear_z_beg, & + & smear_z_end]') + do k = smear_z_beg, smear_z_end + do j = smear_y_beg, smear_y_end + do i = smear_x_beg, smear_x_end + cellijk(1) = i + cellijk(2) = j + cellijk(3) = k + + nodecoord(1) = x_cc(i) + nodecoord(2) = y_cc(j) + nodecoord(3) = 0._wp + if (p > 0) nodecoord(3) = z_cc(k) + + ! Neighbor cell range clamped to interior [0:m, 0:n, 0:p] + di_beg = max(i - mapCells, 0) + di_end = min(i + mapCells, m) + dj_beg = max(j - mapCells, 0) + dj_end = min(j + mapCells, n) + dk_beg = max(k - mapCells, 0) + dk_end = min(k + mapCells, p) + + $:GPU_LOOP(parallelism='[seq]') + do dk = dk_beg, dk_end + $:GPU_LOOP(parallelism='[seq]') + do dj = dj_beg, dj_end + $:GPU_LOOP(parallelism='[seq]') + do di = di_beg, di_end + $:GPU_LOOP(parallelism='[seq]') + do lb = cell_list_start(di, dj, dk), cell_list_start(di, dj, dk) + cell_list_count(di, dj, dk) - 1 + bub_idx = cell_list_idx(lb) + + ! Bubble properties + volpart = 4._wp/3._wp*pi*lbk_rad(bub_idx, 2)**3._wp + s_coord(1:3) = lbk_s(bub_idx,1:3,2) + call s_get_cell(s_coord, cell) + call s_compute_stddsv(cell, volpart, stddsv) + + strength_vol = volpart + strength_vel = 4._wp*pi*lbk_rad(bub_idx, 2)**2._wp*lbk_vel(bub_idx, 2) + + center(1:2) = lbk_pos(bub_idx,1:2,2) + center(3) = 0._wp + if (p > 0) center(3) = lbk_pos(bub_idx, 3, 2) + + call s_applygaussian(center, cellijk, nodecoord, stddsv, 0._wp, func) + + ! Kahan summation for void fraction + y_kahan = real(func*strength_vol, kind=wp) - kcomp(1)%sf(i, j, k) + t_kahan = updatedvar(1)%sf(i, j, k) + y_kahan + kcomp(1)%sf(i, j, k) = (t_kahan - updatedvar(1)%sf(i, j, k)) - y_kahan + updatedvar(1)%sf(i, j, k) = t_kahan + + ! Kahan summation for time derivative of void fraction + y_kahan = real(func*strength_vel, kind=wp) - kcomp(2)%sf(i, j, k) + t_kahan = updatedvar(2)%sf(i, j, k) + y_kahan + kcomp(2)%sf(i, j, k) = (t_kahan - updatedvar(2)%sf(i, j, k)) - y_kahan + updatedvar(2)%sf(i, j, k) = t_kahan + + if (lag_params%cluster_type >= 4) then + call s_applygaussian(center, cellijk, nodecoord, stddsv, 1._wp, func2) + y_kahan = real(func2*strength_vol*strength_vel, kind=wp) - kcomp(5)%sf(i, j, k) + t_kahan = updatedvar(5)%sf(i, j, k) + y_kahan + kcomp(5)%sf(i, j, k) = (t_kahan - updatedvar(5)%sf(i, j, k)) - y_kahan + updatedvar(5)%sf(i, j, k) = t_kahan + end if + end do + end do + end do end do end do end do @@ -190,8 +282,9 @@ contains real(wp), intent(in) :: stddsv real(wp), intent(in) :: strength_idx real(wp), intent(out) :: func + integer :: i real(wp) :: distance - real(wp) :: theta, dtheta, L2, dzp, Lz2 + real(wp) :: theta, dtheta, L2, dzp, Lz2, zc real(wp) :: Nr, Nr_count distance = sqrt((center(1) - nodecoord(1))**2._wp + (center(2) - nodecoord(2))**2._wp + (center(3) - nodecoord(3))**2._wp) @@ -223,20 +316,15 @@ contains end do else !> 2D cartesian function: - ! We smear particles considering a virtual depth (lag_params%charwidth) - theta = 0._wp - Nr = ceiling(lag_params%charwidth/(y_cb(cellaux(2)) - y_cb(cellaux(2) - 1))) - Nr_count = 1._wp - mapCells*1._wp - dzp = y_cb(cellaux(2) + 1) - y_cb(cellaux(2)) - Lz2 = (center(3) - (dzp*(0.5_wp + Nr_count) - lag_params%charwidth/2._wp))**2._wp - distance = sqrt((center(1) - nodecoord(1))**2._wp + (center(2) - nodecoord(2))**2._wp + Lz2) - func = dzp/lag_params%charwidth*exp(-0.5_wp*(distance/stddsv)**2._wp)/(sqrt(2._wp*pi)*stddsv)**3._wp - do while (Nr_count < Nr - 1._wp + ((mapCells - 1)*1._wp)) - Nr_count = Nr_count + 1._wp - Lz2 = (center(3) - (dzp*(0.5_wp + Nr_count) - lag_params%charwidth/2._wp))**2._wp + ! We smear particles considering a virtual depth (lag_params%charwidth) with lag_params%charNz cells + dzp = (lag_params%charwidth/(lag_params%charNz + 1._wp)) + + func = 0._wp + do i = 0, lag_params%charNz + zc = (-lag_params%charwidth/2._wp + dzp*(0.5_wp + i)) ! Center of virtual cell i in z-direction + Lz2 = (center(3) - zc)**2._wp distance = sqrt((center(1) - nodecoord(1))**2._wp + (center(2) - nodecoord(2))**2._wp + Lz2) - func = func + dzp/lag_params%charwidth*exp(-0.5_wp*(distance/stddsv)**2._wp)/(sqrt(2._wp*pi)*stddsv) & - & **(3._wp*(strength_idx + 1._wp)) + func = func + dzp/lag_params%charwidth*exp(-0.5_wp*(distance/stddsv)**2._wp)/(sqrt(2._wp*pi)*stddsv)**3._wp end do end if end if @@ -338,7 +426,7 @@ contains end if !> Compute Standard deviaton - if (((volpart/charvol) > 0.5_wp*lag_params%valmaxvoid) .or. (lag_params%smooth_type == 1)) then + if ((volpart/charvol) > 0.5_wp*lag_params%valmaxvoid .or. (lag_params%smooth_type == 1)) then rad = (3._wp*volpart/(4._wp*pi))**(1._wp/3._wp) stddsv = 1._wp*lag_params%epsilonb*max(chardist, rad) else @@ -383,4 +471,216 @@ contains end subroutine s_get_cell + !! @param q_prim_vf Primitive variables (pressure is at index E_idx) + subroutine s_compute_pressure_gradients(q_prim_vf) + + type(scalar_field), dimension(sys_size), intent(in) :: q_prim_vf + integer :: i, j, k, r + + ! dp/dx at all cell centers + + $:GPU_PARALLEL_LOOP(private='[i, j, k, r]', collapse=3) + do k = 0, p + do j = 0, n + do i = 0, m + grad_p_x(i, j, k) = 0._wp + $:GPU_LOOP(parallelism='[seq]') + do r = -fd_number, fd_number + grad_p_x(i, j, k) = grad_p_x(i, j, k) + q_prim_vf(E_idx)%sf(i + r, j, k)*fd_coeff_x_pgrad(r, i) + end do + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + + ! dp/dy at all cell centers + if (n > 0) then + $:GPU_PARALLEL_LOOP(private='[i, j, k, r]', collapse=3) + do k = 0, p + do j = 0, n + do i = 0, m + grad_p_y(i, j, k) = 0._wp + $:GPU_LOOP(parallelism='[seq]') + do r = -fd_number, fd_number + grad_p_y(i, j, k) = grad_p_y(i, j, k) + q_prim_vf(E_idx)%sf(i, j + r, k)*fd_coeff_y_pgrad(r, j) + end do + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + end if + + ! dp/dz at all cell centers + if (p > 0) then + $:GPU_PARALLEL_LOOP(private='[i, j, k, r]', collapse=3) + do k = 0, p + do j = 0, n + do i = 0, m + grad_p_z(i, j, k) = 0._wp + $:GPU_LOOP(parallelism='[seq]') + do r = -fd_number, fd_number + grad_p_z(i, j, k) = grad_p_z(i, j, k) + q_prim_vf(E_idx)%sf(i, j, k + r)*fd_coeff_z_pgrad(r, k) + end do + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + end if + + end subroutine s_compute_pressure_gradients + + !! @param pos Position of the bubble in directiion i + !! @param cell Computational coordinates of the bubble + !! @param i Direction of the velocity (1: x, 2: y, 3: z) + !! @param q_prim_vf Eulerian field with primitive variables + !! @return v Interpolated velocity at the position of the bubble + function f_interpolate_velocity(pos, cell, i, q_prim_vf) result(v) + + $:GPU_ROUTINE(parallelism='[seq]') + real(wp), intent(in) :: pos + integer, dimension(3), intent(in) :: cell + integer, intent(in) :: i + type(scalar_field), dimension(sys_size), intent(in) :: q_prim_vf + real(wp) :: v + real(wp), dimension(fd_order + 1) :: xi, eta, L + + if (fd_order == 2) then + if (i == 1) then + xi(1) = x_cc(cell(1) - 1) + eta(1) = q_prim_vf(momxb)%sf(cell(1) - 1, cell(2), cell(3)) + xi(2) = x_cc(cell(1)) + eta(2) = q_prim_vf(momxb)%sf(cell(1), cell(2), cell(3)) + xi(3) = x_cc(cell(1) + 1) + eta(3) = q_prim_vf(momxb)%sf(cell(1) + 1, cell(2), cell(3)) + else if (i == 2) then + xi(1) = y_cc(cell(2) - 1) + eta(1) = q_prim_vf(momxb + 1)%sf(cell(1), cell(2) - 1, cell(3)) + xi(2) = y_cc(cell(2)) + eta(2) = q_prim_vf(momxb + 1)%sf(cell(1), cell(2), cell(3)) + xi(3) = y_cc(cell(2) + 1) + eta(3) = q_prim_vf(momxb + 1)%sf(cell(1), cell(2) + 1, cell(3)) + else if (i == 3) then + xi(1) = z_cc(cell(3) - 1) + eta(1) = q_prim_vf(momxe)%sf(cell(1), cell(2), cell(3) - 1) + xi(2) = z_cc(cell(3)) + eta(2) = q_prim_vf(momxe)%sf(cell(1), cell(2), cell(3)) + xi(3) = z_cc(cell(3) + 1) + eta(3) = q_prim_vf(momxe)%sf(cell(1), cell(2), cell(3) + 1) + end if + + L(1) = ((pos - xi(2))*(pos - xi(3)))/((xi(1) - xi(2))*(xi(1) - xi(3))) + L(2) = ((pos - xi(1))*(pos - xi(3)))/((xi(2) - xi(1))*(xi(2) - xi(3))) + L(3) = ((pos - xi(1))*(pos - xi(2)))/((xi(3) - xi(1))*(xi(3) - xi(2))) + + v = L(1)*eta(1) + L(2)*eta(2) + L(3)*eta(3) + else if (fd_order == 4) then + if (i == 1) then + xi(1) = x_cc(cell(1) - 2) + eta(1) = q_prim_vf(momxb)%sf(cell(1) - 2, cell(2), cell(3)) + xi(2) = x_cc(cell(1) - 1) + eta(2) = q_prim_vf(momxb)%sf(cell(1) - 1, cell(2), cell(3)) + xi(3) = x_cc(cell(1)) + eta(3) = q_prim_vf(momxb)%sf(cell(1), cell(2), cell(3)) + xi(4) = x_cc(cell(1) + 1) + eta(4) = q_prim_vf(momxb)%sf(cell(1) + 1, cell(2), cell(3)) + xi(5) = x_cc(cell(1) + 2) + eta(5) = q_prim_vf(momxb)%sf(cell(1) + 2, cell(2), cell(3)) + else if (i == 2) then + xi(1) = y_cc(cell(2) - 2) + eta(1) = q_prim_vf(momxb + 1)%sf(cell(1), cell(2) - 2, cell(3)) + xi(2) = y_cc(cell(2) - 1) + eta(2) = q_prim_vf(momxb + 1)%sf(cell(1), cell(2) - 1, cell(3)) + xi(3) = y_cc(cell(2)) + eta(3) = q_prim_vf(momxb + 1)%sf(cell(1), cell(2), cell(3)) + xi(4) = y_cc(cell(2) + 1) + eta(4) = q_prim_vf(momxb + 1)%sf(cell(1), cell(2) + 1, cell(3)) + xi(5) = y_cc(cell(2) + 2) + eta(5) = q_prim_vf(momxb + 1)%sf(cell(1), cell(2) + 2, cell(3)) + else if (i == 3) then + xi(1) = z_cc(cell(3) - 2) + eta(1) = q_prim_vf(momxe)%sf(cell(1), cell(2), cell(3) - 2) + xi(2) = z_cc(cell(3) - 1) + eta(2) = q_prim_vf(momxe)%sf(cell(1), cell(2), cell(3) - 1) + xi(3) = z_cc(cell(3)) + eta(3) = q_prim_vf(momxe)%sf(cell(1), cell(2), cell(3)) + xi(4) = z_cc(cell(3) + 1) + eta(4) = q_prim_vf(momxe)%sf(cell(1), cell(2), cell(3) + 1) + xi(5) = z_cc(cell(3) + 2) + eta(5) = q_prim_vf(momxe)%sf(cell(1), cell(2), cell(3) + 2) + end if + + L(1) = ((pos - xi(2))*(pos - xi(3))*(pos - xi(4))*(pos - xi(5)))/((xi(1) - xi(2))*(xi(1) - xi(3))*(xi(1) - xi(4)) & + & *(xi(2) - xi(5))) + L(2) = ((pos - xi(1))*(pos - xi(3))*(pos - xi(4))*(pos - xi(5)))/((xi(2) - xi(1))*(xi(2) - xi(3))*(xi(2) - xi(4)) & + & *(xi(2) - xi(5))) + L(3) = ((pos - xi(1))*(pos - xi(2))*(pos - xi(4))*(pos - xi(5)))/((xi(3) - xi(1))*(xi(3) - xi(2))*(xi(3) - xi(4)) & + & *(xi(3) - xi(5))) + L(4) = ((pos - xi(1))*(pos - xi(2))*(pos - xi(3))*(pos - xi(4)))/((xi(4) - xi(1))*(xi(4) - xi(2))*(xi(4) - xi(3)) & + & *(xi(4) - xi(5))) + L(5) = ((pos - xi(1))*(pos - xi(2))*(pos - xi(3))*(pos - xi(4)))/((xi(5) - xi(1))*(xi(5) - xi(2))*(xi(5) - xi(3)) & + & *(xi(5) - xi(4))) + + v = L(1)*eta(1) + L(2)*eta(2) + L(3)*eta(3) + L(4)*eta(4) + L(5)*eta(5) + end if + + end function f_interpolate_velocity + + !! @param pos Position of the bubble in direction i + !! @param rad Radius of the bubble + !! @param rdot Radial velocity of the bubble + !! @param vel Velocity of the bubble + !! @param mg Mass of the gas in the bubble + !! @param mv Mass of the liquid in the bubble + !! @param Re Reynolds number + !! @param rho Density of the fluid + !! @param cell Computational coordinates of the bubble + !! @param i Direction of the velocity (1: x, 2: y, 3: z) + !! @param q_prim_vf Eulerian field with primitive variables + !! @return a Acceleration of the bubble in direction i + function f_get_bubble_force(pos, rad, rdot, vel, mg, mv, Re, rho, cell, i, q_prim_vf) result(force) + + $:GPU_ROUTINE(parallelism='[seq]') + real(wp), intent(in) :: pos, rad, rdot, mg, mv, Re, rho, vel + integer, dimension(3), intent(in) :: cell + integer, intent(in) :: i + type(scalar_field), dimension(sys_size), intent(in) :: q_prim_vf + real(wp) :: dp, vol, force + real(wp) :: v_rel + + if (fd_order > 1) then + v_rel = vel - f_interpolate_velocity(pos, cell, i, q_prim_vf) + else + v_rel = vel - q_prim_vf(momxb + i - 1)%sf(cell(1), cell(2), cell(3)) + end if + + force = 0._wp + + if (lag_params%drag_model == 1) then ! Free slip Stokes drag + force = force - (4._wp*pi*rad*v_rel)/Re + else if (lag_params%drag_model == 2) then ! No slip Stokes drag + force = force - (6._wp*pi*rad*v_rel)/Re + else if (lag_params%drag_model == 3) then ! Levich drag + force = force - (12._wp*pi*rad*v_rel)/Re + end if + + if (lag_pressure_force) then + ! Use precomputed cell-centered pressure gradients + if (i == 1) then + dp = grad_p_x(cell(1), cell(2), cell(3)) + else if (i == 2) then + dp = grad_p_y(cell(1), cell(2), cell(3)) + else if (i == 3) then + dp = grad_p_z(cell(1), cell(2), cell(3)) + end if + + vol = (4._wp/3._wp)*pi*(rad**3._wp) + force = force - vol*dp + end if + + if (lag_params%gravity_force) then + force = force + (mg + mv)*accel_bf(i) + end if + + end function f_get_bubble_force + end module m_bubbles_EL_kernels diff --git a/src/simulation/m_checker.fpp b/src/simulation/m_checker.fpp index 478f778c84..1e6015e25e 100644 --- a/src/simulation/m_checker.fpp +++ b/src/simulation/m_checker.fpp @@ -37,6 +37,8 @@ contains call s_check_inputs_time_stepping @:PROHIBIT(ib_state_wrt .and. .not. ib, "ib_state_wrt requires ib to be enabled") + @:PROHIBIT(particles_lagrange .and. bubbles_lagrange, "particles_lagrange and bubbles_lagrange cannot both be enabled") + @:PROHIBIT(particles_lagrange .and. n == 0, "particles_lagrange requires at least 2D (n > 0)") end subroutine s_check_inputs diff --git a/src/simulation/m_compute_levelset.fpp b/src/simulation/m_compute_levelset.fpp index da1dcd9109..47dfd41e8c 100644 --- a/src/simulation/m_compute_levelset.fpp +++ b/src/simulation/m_compute_levelset.fpp @@ -89,8 +89,10 @@ contains radius = patch_ib(ib_patch_id)%radius - dist_vec(1) = x_cc(i) - patch_ib(ib_patch_id)%x_centroid - real(gp%x_periodicity, wp)*(x_domain%end - x_domain%beg) - dist_vec(2) = y_cc(j) - patch_ib(ib_patch_id)%y_centroid - real(gp%y_periodicity, wp)*(y_domain%end - y_domain%beg) + dist_vec(1) = x_cc(i) - patch_ib(ib_patch_id)%x_centroid - real(gp%x_periodicity, & + & wp)*(glb_bounds(1)%end - glb_bounds(1)%beg) + dist_vec(2) = y_cc(j) - patch_ib(ib_patch_id)%y_centroid - real(gp%y_periodicity, & + & wp)*(glb_bounds(2)%end - glb_bounds(2)%beg) dist_vec(3) = 0._wp dist = sqrt(sum(dist_vec**2)) @@ -116,12 +118,13 @@ contains real(wp), dimension(1:2) :: center real(wp), dimension(1:3,1:3) :: rotation, inverse_rotation integer :: i, j, k, ib_patch_id !< Loop index variables + ib_patch_id = gp%ib_patch_id i = gp%loc(1) j = gp%loc(2) - center(1) = patch_ib(ib_patch_id)%x_centroid + real(gp%x_periodicity, wp)*(x_domain%end - x_domain%beg) - center(2) = patch_ib(ib_patch_id)%y_centroid + real(gp%y_periodicity, wp)*(y_domain%end - y_domain%beg) + center(1) = patch_ib(ib_patch_id)%x_centroid + real(gp%x_periodicity, wp)*(glb_bounds(1)%end - glb_bounds(1)%beg) + center(2) = patch_ib(ib_patch_id)%y_centroid + real(gp%y_periodicity, wp)*(glb_bounds(2)%end - glb_bounds(2)%beg) inverse_rotation(:,:) = patch_ib(ib_patch_id)%rotation_matrix_inverse(:,:) rotation(:,:) = patch_ib(ib_patch_id)%rotation_matrix(:,:) offset(:) = patch_ib(ib_patch_id)%centroid_offset(:) @@ -201,9 +204,9 @@ contains j = gp%loc(2) l = gp%loc(3) - center(1) = patch_ib(ib_patch_id)%x_centroid + real(gp%x_periodicity, wp)*(x_domain%end - x_domain%beg) - center(2) = patch_ib(ib_patch_id)%y_centroid + real(gp%y_periodicity, wp)*(y_domain%end - y_domain%beg) - center(3) = patch_ib(ib_patch_id)%z_centroid + real(gp%z_periodicity, wp)*(z_domain%end - z_domain%beg) + center(1) = patch_ib(ib_patch_id)%x_centroid + real(gp%x_periodicity, wp)*(glb_bounds(1)%end - glb_bounds(1)%beg) + center(2) = patch_ib(ib_patch_id)%y_centroid + real(gp%y_periodicity, wp)*(glb_bounds(2)%end - glb_bounds(2)%beg) + center(3) = patch_ib(ib_patch_id)%z_centroid + real(gp%z_periodicity, wp)*(glb_bounds(3)%end - glb_bounds(3)%beg) lz = patch_ib(ib_patch_id)%length_z inverse_rotation(:,:) = patch_ib(ib_patch_id)%rotation_matrix_inverse(:,:) rotation(:,:) = patch_ib(ib_patch_id)%rotation_matrix(:,:) @@ -302,8 +305,8 @@ contains length_x = patch_ib(ib_patch_id)%length_x length_y = patch_ib(ib_patch_id)%length_y - center(1) = patch_ib(ib_patch_id)%x_centroid + real(gp%x_periodicity, wp)*(x_domain%end - x_domain%beg) - center(2) = patch_ib(ib_patch_id)%y_centroid + real(gp%y_periodicity, wp)*(y_domain%end - y_domain%beg) + center(1) = patch_ib(ib_patch_id)%x_centroid + real(gp%x_periodicity, wp)*(glb_bounds(1)%end - glb_bounds(1)%beg) + center(2) = patch_ib(ib_patch_id)%y_centroid + real(gp%y_periodicity, wp)*(glb_bounds(2)%end - glb_bounds(2)%beg) inverse_rotation(:,:) = patch_ib(ib_patch_id)%rotation_matrix_inverse(:,:) rotation(:,:) = patch_ib(ib_patch_id)%rotation_matrix(:,:) @@ -369,8 +372,8 @@ contains length_x = patch_ib(ib_patch_id)%length_x length_y = patch_ib(ib_patch_id)%length_y - center(1) = patch_ib(ib_patch_id)%x_centroid + real(gp%x_periodicity, wp)*(x_domain%end - x_domain%beg) - center(2) = patch_ib(ib_patch_id)%y_centroid + real(gp%y_periodicity, wp)*(y_domain%end - y_domain%beg) + center(1) = patch_ib(ib_patch_id)%x_centroid + real(gp%x_periodicity, wp)*(glb_bounds(1)%end - glb_bounds(1)%beg) + center(2) = patch_ib(ib_patch_id)%y_centroid + real(gp%y_periodicity, wp)*(glb_bounds(2)%end - glb_bounds(2)%beg) inverse_rotation(:,:) = patch_ib(ib_patch_id)%rotation_matrix_inverse(:,:) rotation(:,:) = patch_ib(ib_patch_id)%rotation_matrix(:,:) @@ -422,9 +425,9 @@ contains length_y = patch_ib(ib_patch_id)%length_y length_z = patch_ib(ib_patch_id)%length_z - center(1) = patch_ib(ib_patch_id)%x_centroid + real(gp%x_periodicity, wp)*(x_domain%end - x_domain%beg) - center(2) = patch_ib(ib_patch_id)%y_centroid + real(gp%y_periodicity, wp)*(y_domain%end - y_domain%beg) - center(3) = patch_ib(ib_patch_id)%z_centroid + real(gp%z_periodicity, wp)*(z_domain%end - z_domain%beg) + center(1) = patch_ib(ib_patch_id)%x_centroid + real(gp%x_periodicity, wp)*(glb_bounds(1)%end - glb_bounds(1)%beg) + center(2) = patch_ib(ib_patch_id)%y_centroid + real(gp%y_periodicity, wp)*(glb_bounds(2)%end - glb_bounds(2)%beg) + center(3) = patch_ib(ib_patch_id)%z_centroid + real(gp%z_periodicity, wp)*(glb_bounds(3)%end - glb_bounds(3)%beg) inverse_rotation(:,:) = patch_ib(ib_patch_id)%rotation_matrix_inverse(:,:) rotation(:,:) = patch_ib(ib_patch_id)%rotation_matrix(:,:) @@ -500,9 +503,9 @@ contains k = gp%loc(3) radius = patch_ib(ib_patch_id)%radius - periodicity(1) = real(gp%x_periodicity, wp)*(x_domain%end - x_domain%beg) - periodicity(2) = real(gp%y_periodicity, wp)*(y_domain%end - y_domain%beg) - periodicity(3) = real(gp%z_periodicity, wp)*(z_domain%end - z_domain%beg) + periodicity(1) = real(gp%x_periodicity, wp)*(glb_bounds(1)%end - glb_bounds(1)%beg) + periodicity(2) = real(gp%y_periodicity, wp)*(glb_bounds(2)%end - glb_bounds(2)%beg) + periodicity(3) = real(gp%z_periodicity, wp)*(glb_bounds(3)%end - glb_bounds(3)%beg) center(1) = patch_ib(ib_patch_id)%x_centroid center(2) = patch_ib(ib_patch_id)%y_centroid center(3) = patch_ib(ib_patch_id)%z_centroid @@ -542,9 +545,9 @@ contains k = gp%loc(3) radius = patch_ib(ib_patch_id)%radius - center(1) = patch_ib(ib_patch_id)%x_centroid + real(gp%x_periodicity, wp)*(x_domain%end - x_domain%beg) - center(2) = patch_ib(ib_patch_id)%y_centroid + real(gp%y_periodicity, wp)*(y_domain%end - y_domain%beg) - center(3) = patch_ib(ib_patch_id)%z_centroid + real(gp%z_periodicity, wp)*(z_domain%end - z_domain%beg) + center(1) = patch_ib(ib_patch_id)%x_centroid + real(gp%x_periodicity, wp)*(glb_bounds(1)%end - glb_bounds(1)%beg) + center(2) = patch_ib(ib_patch_id)%y_centroid + real(gp%y_periodicity, wp)*(glb_bounds(2)%end - glb_bounds(2)%beg) + center(3) = patch_ib(ib_patch_id)%z_centroid + real(gp%z_periodicity, wp)*(glb_bounds(3)%end - glb_bounds(3)%beg) length(1) = patch_ib(ib_patch_id)%length_x length(2) = patch_ib(ib_patch_id)%length_y length(3) = patch_ib(ib_patch_id)%length_z @@ -618,12 +621,12 @@ contains center = 0._wp if (.not. f_is_default(patch_ib(patch_id)%x_centroid)) center(1) = patch_ib(patch_id)%x_centroid + real(gp%x_periodicity, & - & wp)*(x_domain%end - x_domain%beg) + & wp)*(glb_bounds(1)%end - glb_bounds(1)%beg) if (.not. f_is_default(patch_ib(patch_id)%y_centroid)) center(2) = patch_ib(patch_id)%y_centroid + real(gp%y_periodicity, & - & wp)*(y_domain%end - y_domain%beg) + & wp)*(glb_bounds(2)%end - glb_bounds(2)%beg) if (p > 0) then if (.not. f_is_default(patch_ib(patch_id)%z_centroid)) center(3) = patch_ib(patch_id)%z_centroid & - & + real(gp%z_periodicity, wp)*(z_domain%end - z_domain%beg) + & + real(gp%z_periodicity, wp)*(glb_bounds(3)%end - glb_bounds(3)%beg) end if inverse_rotation(:,:) = patch_ib(patch_id)%rotation_matrix_inverse(:,:) diff --git a/src/simulation/m_data_output.fpp b/src/simulation/m_data_output.fpp index 086a218289..0104dbfddb 100644 --- a/src/simulation/m_data_output.fpp +++ b/src/simulation/m_data_output.fpp @@ -30,19 +30,8 @@ module m_data_output & s_finalize_data_output_module integer :: ib_state_unit = -1 !< I/O unit for IB state binary file - real(wp), allocatable, dimension(:,:,:) :: icfl_sf !< ICFL stability criterion - real(wp), allocatable, dimension(:,:,:) :: vcfl_sf !< VCFL stability criterion - real(wp), allocatable, dimension(:,:,:) :: ccfl_sf !< CCFL stability criterion - real(wp), allocatable, dimension(:,:,:) :: Rc_sf !< Rc stability criterion real(wp), public, allocatable, dimension(:,:) :: c_mass - $:GPU_DECLARE(create='[icfl_sf, vcfl_sf, ccfl_sf, Rc_sf, c_mass]') - - real(wp) :: icfl_max_loc, icfl_max_glb !< ICFL stability extrema on local and global grids - real(wp) :: vcfl_max_loc, vcfl_max_glb !< VCFL stability extrema on local and global grids - real(wp) :: ccfl_max_loc, ccfl_max_glb !< CCFL stability extrema on local and global grids - real(wp) :: Rc_min_loc, Rc_min_glb !< Rc stability extrema on local and global grids - $:GPU_DECLARE(create='[icfl_max_loc, icfl_max_glb, vcfl_max_loc, vcfl_max_glb]') - $:GPU_DECLARE(create='[ccfl_max_loc, ccfl_max_glb, Rc_min_loc, Rc_min_glb]') + $:GPU_DECLARE(create='[c_mass]') !> @name ICFL, VCFL, CCFL and Rc stability criteria extrema over all the time-steps !> @{ @@ -57,6 +46,12 @@ module m_data_output contains !> Write data files. Dispatch subroutine that replaces procedure pointer. + !! @param q_cons_vf Conservative variables + !! @param q_T_sf Temperature scalar field + !! @param q_prim_vf Primitive variables + !! @param t_step Current time step + !! @param bc_type Boundary condition type + !! @param beta Eulerian void fraction from lagrangian bubbles impure subroutine s_write_data_files(q_cons_vf, q_T_sf, q_prim_vf, t_step, bc_type, beta) type(scalar_field), dimension(sys_size), intent(inout) :: q_cons_vf @@ -74,13 +69,17 @@ contains end subroutine s_write_data_files - !> Open the run-time information file and write the stability criteria table header + !> The purpose of this subroutine is to open a new or pre- existing run-time information file and append to it the basic header + !! information relevant to current simulation. In general, this requires generating a table header for those stability criteria + !! which will be written at every time-step. impure subroutine s_open_run_time_information_file character(LEN=name_len), parameter :: file_name = 'run_time.inf' !< Name of the run-time information file character(LEN=path_len + name_len) :: file_path !< Relative path to a file in the case directory character(LEN=8) :: file_date !< Creation date of the run-time information file + ! Opening the run-time information file + file_path = trim(case_dir) // '/' // trim(file_name) open (3, FILE=trim(file_path), form='formatted', STATUS='replace') @@ -98,25 +97,32 @@ contains write (3, '(A)') ''; write (3, '(A)') '' + ! Generating table header for the stability criteria to be outputted write (3, '(13X,A9,13X,A10,13X,A10,13X,A10)', advance="no") trim('Time-step'), trim('dt'), trim('Time'), trim('ICFL Max') if (viscous) then write (3, '(13X,A10,13X,A16)', advance="no") trim('VCFL Max'), trim('Rc Min') end if + if (bubbles_lagrange) then + write (3, '(13X,A10)', advance="no") trim('N Bubbles') + end if + write (3, *) ! new line end subroutine s_open_run_time_information_file - !> Open center-of-mass data files for writing + !> This opens a formatted data file where the root processor can write out the CoM information impure subroutine s_open_com_files() character(len=path_len + 3*name_len) :: file_path !< Relative path to the CoM file in the case directory integer :: i !< Generic loop iterator do i = 1, num_fluids + ! Generating the relative path to the CoM data file write (file_path, '(A,I0,A)') '/fluid', i, '_com.dat' file_path = trim(case_dir) // trim(file_path) + ! Creating the formatted data file and setting up its structure open (i + 120, file=trim(file_path), form='formatted', position='append', status='unknown') if (n == 0) then write (i + 120, '(A)') ' Non-Dimensional Time ' // ' Total Mass ' // ' x-loc ' // ' Total Volume ' @@ -133,7 +139,7 @@ contains end subroutine s_open_com_files - !> Open flow probe data files for writing + !> This opens a formatted data file where the root processor can write out flow probe information impure subroutine s_open_probe_files character(LEN=path_len + 3*name_len) :: file_path !< Relative path to the probe data file in the case directory @@ -141,9 +147,11 @@ contains logical :: file_exist do i = 1, num_probes + ! Generating the relative path to the data file write (file_path, '(A,I0,A)') '/D/probe', i, '_prim.dat' file_path = trim(case_dir) // trim(file_path) + ! Creating the formatted data file and setting up its structure inquire (file=trim(file_path), exist=file_exist) if (file_exist) then @@ -164,7 +172,6 @@ contains end subroutine s_open_probe_files - !> Open the immersed boundary state file for binary output impure subroutine s_open_ib_state_file character(len=path_len + 2*name_len) :: file_loc @@ -177,7 +184,11 @@ contains end subroutine s_open_ib_state_file - !> Write stability criteria extrema to the run-time information file at the given time step + !> The goal of the procedure is to output to the run-time information file the stability criteria extrema in the entire + !! computational domain and at the given time-step. Moreover, the subroutine is also in charge of tracking these stability + !! criteria extrema over all time-steps. + !! @param q_prim_vf Cell-average primitive variables + !! @param t_step Current time step impure subroutine s_write_run_time_information(q_prim_vf, t_step) type(scalar_field), dimension(sys_size), intent(in) :: q_prim_vf @@ -191,19 +202,27 @@ contains real(wp), dimension(num_fluids) :: alpha !< Cell-avg. volume fraction real(wp), dimension(num_vels) :: vel !< Cell-avg. velocity #:endif - real(wp) :: vel_sum !< Cell-avg. velocity sum - real(wp) :: pres !< Cell-avg. pressure - real(wp) :: gamma !< Cell-avg. sp. heat ratio - real(wp) :: pi_inf !< Cell-avg. liquid stiffness function - real(wp) :: qv !< Cell-avg. internal energy reference value - real(wp) :: c !< Cell-avg. sound speed - real(wp) :: H !< Cell-avg. enthalpy - real(wp), dimension(2) :: Re !< Cell-avg. Reynolds numbers + real(wp) :: vel_sum !< Cell-avg. velocity sum + real(wp) :: pres !< Cell-avg. pressure + real(wp) :: gamma !< Cell-avg. sp. heat ratio + real(wp) :: pi_inf !< Cell-avg. liquid stiffness function + real(wp) :: qv !< Cell-avg. internal energy reference value + real(wp) :: c !< Cell-avg. sound speed + real(wp) :: H !< Cell-avg. enthalpy + real(wp), dimension(2) :: Re !< Cell-avg. Reynolds numbers integer :: j, k, l - + real(wp) :: icfl_max_loc, icfl_max_glb !< ICFL stability extrema on local and global grids + real(wp) :: vcfl_max_loc, vcfl_max_glb !< VCFL stability extrema on local and global grids + real(wp) :: ccfl_max_loc, ccfl_max_glb !< CCFL stability extrema on local and global grids + real(wp) :: Rc_min_loc, Rc_min_glb !< Rc stability extrema on local and global grids + real(wp) :: icfl, vcfl, Rc + + icfl_max_loc = 0._wp + vcfl_max_loc = 0._wp + Rc_min_loc = huge(1.0_wp) ! Computing Stability Criteria at Current Time-step - - $:GPU_PARALLEL_LOOP(collapse=3, private='[j, k, l, vel, alpha, Re, rho, vel_sum, pres, gamma, pi_inf, c, H, qv]') + $:GPU_PARALLEL_LOOP(collapse=3, private='[j, k, l, vel, alpha, Re, rho, vel_sum, pres, gamma, pi_inf, c, H, qv, icfl, & + & vcfl, Rc]', reduction='[[icfl_max_loc, vcfl_max_loc], [Rc_min_loc]]', reductionOp='[max, min]') do l = 0, p do k = 0, n do j = 0, m @@ -212,49 +231,32 @@ contains call s_compute_speed_of_sound(pres, rho, gamma, pi_inf, H, alpha, vel_sum, 0._wp, c, qv) if (viscous) then - call s_compute_stability_from_dt(vel, c, rho, Re, j, k, l, icfl_sf, vcfl_sf, Rc_sf) + call s_compute_stability_from_dt(vel, c, rho, Re, j, k, l, icfl, vcfl, Rc) else - call s_compute_stability_from_dt(vel, c, rho, Re, j, k, l, icfl_sf) + call s_compute_stability_from_dt(vel, c, rho, Re, j, k, l, icfl) end if + + icfl_max_loc = max(icfl_max_loc, icfl) + vcfl_max_loc = max(vcfl_max_loc, merge(vcfl, 0.0_wp, viscous)) + Rc_min_loc = min(Rc_min_loc, merge(Rc, huge(1.0_wp), viscous)) end do end do end do $:END_GPU_PARALLEL_LOOP() + ! end: Computing Stability Criteria at Current Time-step -#ifdef _CRAYFTN - $:GPU_UPDATE(host='[icfl_sf]') - - if (viscous) then - $:GPU_UPDATE(host='[vcfl_sf, Rc_sf]') - end if - - icfl_max_loc = maxval(icfl_sf) - - if (viscous) then - vcfl_max_loc = maxval(vcfl_sf) - Rc_min_loc = minval(Rc_sf) - end if -#else - #:call GPU_PARALLEL(copyout='[icfl_max_loc]', copyin='[icfl_sf]') - icfl_max_loc = maxval(icfl_sf) - #:endcall GPU_PARALLEL - if (viscous .or. dummy) then - #:call GPU_PARALLEL(copyout='[vcfl_max_loc, Rc_min_loc]', copyin='[vcfl_sf,Rc_sf]') - vcfl_max_loc = maxval(vcfl_sf) - Rc_min_loc = minval(Rc_sf) - #:endcall GPU_PARALLEL - end if -#endif - + ! Determining global stability criteria extrema at current time-step if (num_procs > 1) then - call s_mpi_reduce_stability_criteria_extrema(icfl_max_loc, vcfl_max_loc, Rc_min_loc, icfl_max_glb, vcfl_max_glb, & - & Rc_min_glb) + call s_mpi_reduce_stability_criteria_extrema(icfl_max_loc, vcfl_max_loc, Rc_min_loc, n_el_bubs_loc, icfl_max_glb, & + & vcfl_max_glb, Rc_min_glb, n_el_bubs_glb) else icfl_max_glb = icfl_max_loc if (viscous) vcfl_max_glb = vcfl_max_loc if (viscous) Rc_min_glb = Rc_min_loc + if (bubbles_lagrange) n_el_bubs_glb = n_el_bubs_loc end if + ! Determining the stability criteria extrema over all the time-steps if (icfl_max_glb > icfl_max) icfl_max = icfl_max_glb if (viscous) then @@ -262,6 +264,7 @@ contains if (Rc_min_glb < Rc_min) Rc_min = Rc_min_glb end if + ! Outputting global stability criteria extrema at current time-step if (proc_rank == 0) then write (3, '(13X,I9,13X,F10.6,13X,F10.6,13X,F10.6)', advance="no") t_step, dt, mytime, icfl_max_glb @@ -269,6 +272,10 @@ contains write (3, '(13X,F10.6,13X,ES16.6)', advance="no") vcfl_max_glb, Rc_min_glb end if + if (bubbles_lagrange) then + write (3, '(13X,I10)', advance="no") n_el_bubs_glb + end if + write (3, *) ! new line if (.not. f_approx_equal(icfl_max_glb, icfl_max_glb)) then @@ -286,13 +293,25 @@ contains call s_mpi_abort('VCFL is greater than 1.0. Exiting.') end if end if + + if (bubbles_lagrange) then + if (n_el_bubs_glb == 0) then + call s_mpi_abort('No Lagrangian bubbles remain in the domain. Exiting.') + end if + end if end if call s_mpi_barrier() end subroutine s_write_run_time_information - !> Write grid and conservative variable data files in serial format + !> The goal of this subroutine is to output the grid and conservative variables data files for given time-step. + !! @param q_cons_vf Cell-average conservative variables + !! @param q_T_sf Temperature scalar field + !! @param q_prim_vf Cell-average primitive variables + !! @param t_step Current time-step + !! @param bc_type Boundary condition type + !! @param beta Eulerian void fraction from lagrangian bubbles impure subroutine s_write_serial_data_files(q_cons_vf, q_T_sf, q_prim_vf, t_step, bc_type, beta) type(scalar_field), dimension(sys_size), intent(inout) :: q_cons_vf @@ -308,7 +327,11 @@ contains integer :: i, j, k, l, r real(wp) :: gamma, lit_gamma, pi_inf, qv !< Temporary EOS params + ! Creating or overwriting the time-step root directory + write (t_step_dir, '(A,I0,A,I0)') trim(case_dir) // '/p_all' + + ! Creating or overwriting the current time-step directory write (t_step_dir, '(a,i0,a,i0)') trim(case_dir) // '/p_all/p', proc_rank, '/', t_step file_path = trim(t_step_dir) // '/.' @@ -316,11 +339,13 @@ contains if (file_exist) call s_delete_directory(trim(t_step_dir)) call s_create_directory(trim(t_step_dir)) + ! Writing the grid data file in the x-direction file_path = trim(t_step_dir) // '/x_cb.dat' open (2, FILE=trim(file_path), form='unformatted', STATUS='new') write (2) x_cb(-1:m); close (2) + ! Writing the grid data files in the y- and z-directions if (n > 0) then file_path = trim(t_step_dir) // '/y_cb.dat' @@ -335,6 +360,7 @@ contains end if end if + ! Writing the conservative variables data files do i = 1, sys_size write (file_path, '(A,I0,A)') trim(t_step_dir) // '/q_cons_vf', i, '.dat' @@ -378,6 +404,11 @@ contains ! Writing the IB markers if (ib) then call s_write_serial_ib_data(t_step) + ! write (file_path, '(A,I0,A)') trim(t_step_dir)//'/ib.dat' + + ! open (2, FILE=trim(file_path), & FORM='unformatted', & STATUS='new') + + ! write (2) ib_markers%sf(0:m, 0:n, 0:p); close (2) end if gamma = gammas(1) @@ -391,6 +422,7 @@ contains FMT = "(2F40.14)" end if + ! writing an output directory write (t_step_dir, '(A,I0,A,I0)') trim(case_dir) // '/D' file_path = trim(t_step_dir) // '/.' @@ -409,6 +441,7 @@ contains end if end if + ! 1D if (n == 0 .and. p == 0) then if (model_eqns == 2 .and. (.not. igr)) then do i = 1, sys_size @@ -471,6 +504,7 @@ contains FMT = "(3F40.14)" end if + ! 2D if ((n > 0) .and. (p == 0)) then do i = 1, sys_size write (file_path, '(A,I0,A,I2.2,A,I6.6,A)') trim(t_step_dir) // '/cons.', i, '.', proc_rank, '.', t_step, '.dat' @@ -555,6 +589,7 @@ contains FMT = "(4F40.14)" end if + ! 3D if (p > 0) then do i = 1, sys_size write (file_path, '(A,I0,A,I2.2,A,I6.6,A)') trim(t_step_dir) // '/cons.', i, '.', proc_rank, '.', t_step, '.dat' @@ -648,7 +683,11 @@ contains end subroutine s_write_serial_data_files - !> Write grid and conservative variable data files in parallel via MPI I/O + !> The goal of this subroutine is to output the grid and conservative variables data files for given time-step. + !! @param q_cons_vf Cell-average conservative variables + !! @param t_step Current time-step + !! @param bc_type Boundary condition type + !! @param beta Eulerian void fraction from lagrangian bubbles impure subroutine s_write_parallel_data_files(q_cons_vf, t_step, bc_type, beta) type(scalar_field), dimension(sys_size), intent(inout) :: q_cons_vf @@ -669,6 +708,7 @@ contains character(len=10) :: t_step_string integer :: i !< Generic loop iterator integer :: alt_sys !< Altered system size for the lagrangian subgrid bubble model + ! Down sampling variables integer :: m_ds, n_ds, p_ds integer :: m_glb_ds, n_glb_ds, p_glb_ds @@ -687,6 +727,7 @@ contains if (file_per_process) then call s_int_to_str(t_step, t_step_string) + ! Initialize MPI data I/O if (down_sample) then call s_initialize_mpi_data_ds(q_cons_temp_ds) else @@ -708,8 +749,10 @@ contains call s_mpi_barrier() call DelayFileAccess(proc_rank) + ! Initialize MPI data I/O call s_initialize_mpi_data(q_cons_vf) + ! Open the file to write all flow variables write (file_loc, '(I0,A,i7.7,A)') t_step, '_', proc_rank, '.dat' file_loc = trim(case_dir) // '/restart_data/lustre_' // trim(t_step_string) // trim(mpiiofs) // trim(file_loc) inquire (FILE=trim(file_loc), EXIST=file_exist) @@ -719,17 +762,20 @@ contains call MPI_FILE_OPEN(MPI_COMM_SELF, file_loc, ior(MPI_MODE_WRONLY, MPI_MODE_CREATE), mpi_info_int, ifile, ierr) if (down_sample) then + ! Size of local arrays data_size = (m_ds + 3)*(n_ds + 3)*(p_ds + 3) m_glb_save = m_glb_ds + 1 n_glb_save = n_glb_ds + 1 p_glb_save = p_glb_ds + 1 else + ! Size of local arrays data_size = (m + 1)*(n + 1)*(p + 1) m_glb_save = m_glb + 1 n_glb_save = n_glb + 1 p_glb_save = p_glb + 1 end if + ! Resize some integers so MPI can write even the biggest files m_MOK = int(m_glb_save + 1, MPI_OFFSET_KIND) n_MOK = int(n_glb_save + 1, MPI_OFFSET_KIND) p_MOK = int(p_glb_save + 1, MPI_OFFSET_KIND) @@ -739,11 +785,13 @@ contains NVARS_MOK = int(sys_size, MPI_OFFSET_KIND) if (bubbles_euler) then + ! Write the data for each variable do i = 1, sys_size var_MOK = int(i, MPI_OFFSET_KIND) call MPI_FILE_WRITE_ALL(ifile, MPI_IO_DATA%var(i)%sf, data_size*mpi_io_type, mpi_io_p, status, ierr) end do + ! Write pb and mv for non-polytropic qbmm if (qbmm .and. .not. polytropic) then do i = sys_size + 1, sys_size + 2*nb*nnode var_MOK = int(i, MPI_OFFSET_KIND) @@ -769,6 +817,8 @@ contains call MPI_FILE_CLOSE(ifile, ierr) else + ! Initialize MPI data I/O + if (ib) then call s_initialize_mpi_data(q_cons_vf, ib_markers) else if (present(beta)) then @@ -785,8 +835,10 @@ contains end if call MPI_FILE_OPEN(MPI_COMM_WORLD, file_loc, ior(MPI_MODE_WRONLY, MPI_MODE_CREATE), mpi_info_int, ifile, ierr) + ! Size of local arrays data_size = (m + 1)*(n + 1)*(p + 1) + ! Resize some integers so MPI can write even the biggest files m_MOK = int(m_glb + 1, MPI_OFFSET_KIND) n_MOK = int(n_glb + 1, MPI_OFFSET_KIND) p_MOK = int(p_glb + 1, MPI_OFFSET_KIND) @@ -796,18 +848,22 @@ contains NVARS_MOK = int(alt_sys, MPI_OFFSET_KIND) if (bubbles_euler) then + ! Write the data for each variable do i = 1, sys_size var_MOK = int(i, MPI_OFFSET_KIND) + ! Initial displacement to skip at beginning of file disp = m_MOK*max(MOK, n_MOK)*max(MOK, p_MOK)*WP_MOK*(var_MOK - 1) call MPI_FILE_SET_VIEW(ifile, disp, mpi_p, MPI_IO_DATA%view(i), 'native', mpi_info_int, ierr) call MPI_FILE_WRITE_ALL(ifile, MPI_IO_DATA%var(i)%sf, data_size*mpi_io_type, mpi_io_p, status, ierr) end do + ! Write pb and mv for non-polytropic qbmm if (qbmm .and. .not. polytropic) then do i = sys_size + 1, sys_size + 2*nb*nnode var_MOK = int(i, MPI_OFFSET_KIND) + ! Initial displacement to skip at beginning of file disp = m_MOK*max(MOK, n_MOK)*max(MOK, p_MOK)*WP_MOK*(var_MOK - 1) call MPI_FILE_SET_VIEW(ifile, disp, mpi_p, MPI_IO_DATA%view(i), 'native', mpi_info_int, ierr) @@ -818,6 +874,7 @@ contains do i = 1, sys_size ! TODO: check if sys_size is correct var_MOK = int(i, MPI_OFFSET_KIND) + ! Initial displacement to skip at beginning of file disp = m_MOK*max(MOK, n_MOK)*max(MOK, p_MOK)*WP_MOK*(var_MOK - 1) call MPI_FILE_SET_VIEW(ifile, disp, mpi_p, MPI_IO_DATA%view(i), 'native', mpi_info_int, ierr) @@ -825,9 +882,11 @@ contains end do end if + ! Correction for the lagrangian subgrid bubble model if (present(beta)) then var_MOK = int(sys_size + 1, MPI_OFFSET_KIND) + ! Initial displacement to skip at beginning of file disp = m_MOK*max(MOK, n_MOK)*max(MOK, p_MOK)*WP_MOK*(var_MOK - 1) call MPI_FILE_SET_VIEW(ifile, disp, mpi_p, MPI_IO_DATA%view(sys_size + 1), 'native', mpi_info_int, ierr) @@ -836,21 +895,33 @@ contains call MPI_FILE_CLOSE(ifile, ierr) + ! Write ib data if (ib) then call s_write_parallel_ib_data(t_step) + ! write (file_loc, '(A)') 'ib.dat' file_loc = trim(case_dir)//'/restart_data'//trim(mpiiofs)//trim(file_loc) call + ! MPI_FILE_OPEN(MPI_COMM_WORLD, file_loc, ior(MPI_MODE_WRONLY, MPI_MODE_CREATE), & mpi_info_int, ifile, ierr) + + ! var_MOK = int(sys_size + 1, MPI_OFFSET_KIND) disp = m_MOK*max(MOK, n_MOK)*max(MOK, p_MOK)*WP_MOK*(var_MOK - 1 + + ! int(t_step/t_step_save)) + + ! call MPI_FILE_SET_VIEW(ifile, disp, MPI_INTEGER, MPI_IO_IB_DATA%view, & 'native', mpi_info_int, ierr) call + ! MPI_FILE_WRITE_ALL(ifile, MPI_IO_IB_DATA%var%sf, data_size, & MPI_INTEGER, status, ierr) call + ! MPI_FILE_CLOSE(ifile, ierr) end if end if #endif end subroutine s_write_parallel_data_files - !> Write immersed boundary marker data to a serial (per-processor) unformatted file + !> @brief Writes immersed boundary marker data to a serial (per-processor) unformatted file. subroutine s_write_serial_ib_data(time_step) integer, intent(in) :: time_step character(LEN=path_len + 2*name_len) :: file_path character(LEN=path_len + 2*name_len) :: t_step_dir + ! Creating or overwriting the time-step root directory + write (t_step_dir, '(A,I0,A,I0)') trim(case_dir) // '/p_all' write (t_step_dir, '(a,i0,a,i0)') trim(case_dir) // '/p_all/p', proc_rank, '/', time_step write (file_path, '(A,I0,A)') trim(t_step_dir) // '/ib_data.dat' @@ -862,7 +933,7 @@ contains end subroutine s_write_serial_ib_data - !> Write immersed boundary marker data in parallel using MPI I/O + !> @brief Writes immersed boundary marker data in parallel using MPI I/O. subroutine s_write_parallel_ib_data(time_step) integer, intent(in) :: time_step @@ -877,6 +948,7 @@ contains $:GPU_UPDATE(host='[ib_markers%sf]') + ! Size of local arrays data_size = (m + 1)*(n + 1)*(p + 1) m_MOK = int(m_glb + 1, MPI_OFFSET_KIND) n_MOK = int(n_glb + 1, MPI_OFFSET_KIND) @@ -899,7 +971,7 @@ contains end subroutine s_write_parallel_ib_data - !> Dispatch immersed boundary data output to the serial or parallel writer + !> @brief Dispatches immersed boundary data output to the serial or parallel writer. subroutine s_write_ib_data_file(time_step) integer, intent(in) :: time_step @@ -912,7 +984,7 @@ contains end subroutine s_write_ib_data_file - !> Write IB state records to D/ib_state.dat (rank 0 only) + !> @brief Writes IB state records to D/ib_state.dat. Must be called only on rank 0. impure subroutine s_write_ib_state_file() integer :: i @@ -924,7 +996,9 @@ contains end subroutine s_write_ib_state_file - !> Write center-of-mass data at the current time step + !> This writes a formatted data file where the root processor can write out the CoM information + !! @param t_step Current time-step + !! @param c_mass_in Center of mass information impure subroutine s_write_com_files(t_step, c_mass_in) integer, intent(in) :: t_step @@ -932,6 +1006,8 @@ contains integer :: i !< Generic loop iterator real(wp) :: nondim_time !< Non-dimensional time + ! Non-dimensional time calculation + if (t_step_old /= dflt_int) then nondim_time = real(t_step + t_step_old, wp)*dt else @@ -957,7 +1033,10 @@ contains end subroutine s_write_com_files - !> Write flow probe data at the current time step + !> This writes a formatted data file for the flow probe information + !! @param t_step Current time-step + !! @param q_cons_vf Conservative variables + !! @param accel_mag Acceleration magnitude information impure subroutine s_write_probe_files(t_step, q_cons_vf, accel_mag) integer, intent(in) :: t_step @@ -1004,6 +1083,7 @@ contains T = dflt_T_guess + ! Non-dimensional time calculation if (time_stepper == 23) then nondim_time = mytime else @@ -1015,6 +1095,7 @@ contains end if do i = 1, num_probes + ! Zeroing out flow variables for all processors rho = 0._wp do s = 1, num_vels vel(s) = 0._wp @@ -1041,6 +1122,7 @@ contains end do damage_state = 0._wp + ! Find probe location in terms of indices on a specific processor if (n == 0) then if ((probe(i)%x >= x_cb(-1)) .and. (probe(i)%x <= x_cb(m))) then do s = -1, m @@ -1494,17 +1576,21 @@ contains end subroutine s_write_probe_files - !> Write footer with stability criteria extrema and run-time to the information file, then close it + !> The goal of this subroutine is to write to the run-time information file basic footer information applicable to the current + !! computation and to close the file when done. The footer contains the stability criteria extrema over all of the time-steps + !! and the simulation run-time. impure subroutine s_close_run_time_information_file real(wp) :: run_time !< Run-time of the simulation + ! Writing the footer of and closing the run-time information file + write (3, '(A)') ' ' write (3, '(A)') '' write (3, '(A,F9.6)') 'ICFL Max: ', icfl_max if (viscous) write (3, '(A,F9.6)') 'VCFL Max: ', vcfl_max - if (viscous) write (3, '(A,F10.6)') 'Rc Min: ', Rc_min + if (viscous) write (3, '(A,ES16.6)') 'Rc Min: ', Rc_min call cpu_time(run_time) @@ -1537,28 +1623,25 @@ contains end subroutine s_close_probe_files - !> Close the immersed boundary state file impure subroutine s_close_ib_state_file close (ib_state_unit) end subroutine s_close_ib_state_file - !> Initialize the data output module + !> The computation of parameters, the allocation of memory, the association of pointers and/or the execution of any other + !! procedures that are necessary to setup the module. impure subroutine s_initialize_data_output_module integer :: i, m_ds, n_ds, p_ds + ! Allocating/initializing ICFL, VCFL, CCFL and Rc stability criteria + if (run_time_info) then - @:ALLOCATE(icfl_sf(0:m, 0:n, 0:p)) icfl_max = 0._wp - if (viscous) then - @:ALLOCATE(vcfl_sf(0:m, 0:n, 0:p)) - @:ALLOCATE(Rc_sf (0:m, 0:n, 0:p)) - vcfl_max = 0._wp - Rc_min = 1.e3_wp + Rc_min = 1.e12_wp end if end if @@ -1588,13 +1671,6 @@ contains @:DEALLOCATE(c_mass) end if - if (run_time_info) then - @:DEALLOCATE(icfl_sf) - if (viscous) then - @:DEALLOCATE(vcfl_sf, Rc_sf) - end if - end if - if (down_sample) then do i = 1, sys_size deallocate (q_cons_temp_ds(i)%sf) diff --git a/src/simulation/m_global_parameters.fpp b/src/simulation/m_global_parameters.fpp index 079d36ebc2..2942fbe4cc 100644 --- a/src/simulation/m_global_parameters.fpp +++ b/src/simulation/m_global_parameters.fpp @@ -14,6 +14,7 @@ module m_global_parameters use m_derived_types use m_helper_basic + ! $:USE_GPU_MODULE() implicit none @@ -26,8 +27,10 @@ module m_global_parameters character(LEN=path_len) :: case_dir !< Case folder location logical :: run_time_info !< Run-time output flag integer :: t_step_old !< Existing IC/grid folder + ! Computational Domain Parameters integer :: proc_rank !< Rank of the local processor + !> @name Number of cells in the x-, y- and z-directions, respectively !> @{ integer :: m, n, p @@ -51,20 +54,22 @@ module m_global_parameters !> @name Cell-boundary (CB) locations in the x-, y- and z-directions, respectively !> @{ real(wp), target, allocatable, dimension(:) :: x_cb, y_cb, z_cb + type(bounds_info), dimension(3) :: glb_bounds !> @} !> @name Cell-center (CC) locations in the x-, y- and z-directions, respectively !> @{ real(wp), target, allocatable, dimension(:) :: x_cc, y_cc, z_cc !> @} - ! type(bounds_info) :: x_domain, y_domain, z_domain !< Locations of the domain bounds in the x-, y- and z-coordinate directions + !> @name Cell-width distributions in the x-, y- and z-directions, respectively !> @{ real(wp), target, allocatable, dimension(:) :: dx, dy, dz !> @} real(wp) :: dt !< Size of the time-step - $:GPU_DECLARE(create='[x_cb, y_cb, z_cb, x_cc, y_cc, z_cc, dx, dy, dz, dt, m, n, p]') + + $:GPU_DECLARE(create='[x_cb, y_cb, z_cb, x_cc, y_cc, z_cc, dx, dy, dz, dt, m, n, p, glb_bounds]') !> @name Starting time-step iteration, stopping time-step iteration and the number of time-step iterations between successive !! solution backups, respectively @@ -81,6 +86,7 @@ module m_global_parameters logical :: cfl_adap_dt, cfl_const_dt, cfl_dt integer :: t_step_print !< Number of time-steps between printouts + ! Simulation Algorithm Parameters integer :: model_eqns !< Multicomponent flow model #:if MFC_CASE_OPTIMIZATION @@ -206,10 +212,12 @@ module m_global_parameters integer :: relax_model !< Relaxation model real(wp) :: palpha_eps !< trigger parameter for the p relaxation procedure, phase change model real(wp) :: ptgalpha_eps !< trigger parameter for the pTg relaxation procedure, phase change model + $:GPU_DECLARE(create='[relax, relax_model, palpha_eps, ptgalpha_eps]') - integer :: num_bc_patches - logical :: bc_io + integer :: num_bc_patches + logical :: bc_io + logical, dimension(3) :: periodic_bc !> @name Boundary conditions (BC) in the x-, y- and z-directions, respectively !> @{ type(int_bounds_info) :: bc_x, bc_y, bc_z @@ -221,18 +229,27 @@ module m_global_parameters #elif defined(MFC_OpenMP) $:GPU_DECLARE(create='[bc_x, bc_y, bc_z]') #endif - type(bounds_info) :: x_domain, y_domain, z_domain - $:GPU_DECLARE(create='[x_domain, y_domain, z_domain]') - real(wp) :: x_a, y_a, z_a - real(wp) :: x_b, y_b, z_b - logical :: parallel_io !< Format of the data files - logical :: file_per_process !< shared file or not when using parallel io - integer :: precision !< Precision of output files - logical :: down_sample !< down sample the output files + + logical :: parallel_io !< Format of the data files + logical :: file_per_process !< shared file or not when using parallel io + integer :: precision !< Precision of output files + logical :: down_sample !< down sample the output files $:GPU_DECLARE(create='[down_sample]') - integer, allocatable, dimension(:) :: proc_coords !< Processor coordinates in MPI_CART_COMM - integer, allocatable, dimension(:) :: start_idx !< Starting cell-center index of local processor in global grid + integer, allocatable, dimension(:) :: proc_coords !< Processor coordinates in MPI_CART_COMM + type(bounds_info), allocatable, dimension(:) :: pcomm_coords + $:GPU_DECLARE(create='[pcomm_coords]') + !! Coordinates for EL particle transfer + + type(bounds_info), allocatable, dimension(:) :: pcomm_coords_ghost + $:GPU_DECLARE(create='[pcomm_coords_ghost]') + !! Coordinates for EL particle transfer + + type(int_bounds_info), dimension(3) :: nidx !< Indices for neighboring processors + integer, allocatable, dimension(:,:,:) :: neighbor_ranks + !! Neighbor ranks + + integer, allocatable, dimension(:) :: start_idx !< Starting cell-center index of local processor in global grid type(mpi_io_var), public :: MPI_IO_DATA type(mpi_io_ib_var), public :: MPI_IO_IB_DATA type(mpi_io_airfoil_ib_var), public :: MPI_IO_airfoil_IB_DATA @@ -293,7 +310,9 @@ module m_global_parameters $:GPU_DECLARE(create='[Re_size, Re_size_max, Re_idx]') - ! WENO averaging flag: use arithmetic mean or unaltered WENO-reconstructed cell-boundary values + ! The WENO average (WA) flag regulates whether the calculation of any cell- average spatial derivatives is carried out in each + ! cell by utilizing the arithmetic mean of the left and right, WENO-reconstructed, cell-boundary values or simply, the unaltered + ! left and right, WENO-reconstructed, cell- boundary values. !> @{ real(wp) :: wa_flg !> @} @@ -311,24 +330,46 @@ module m_global_parameters $:GPU_DECLARE(create='[dir_idx, dir_flg, dir_idx_tau]') + !> The number of cells that are necessary to be able to store enough boundary conditions data to march the solution in the + !! physical computational domain to the next time-step. integer :: buff_size !< Number of ghost cells for boundary condition storage + $:GPU_DECLARE(create='[buff_size]') - integer :: shear_num !< Number of shear stress components - integer, dimension(3) :: shear_indices !< Indices of the stress components that represent shear stress - integer :: shear_BC_flip_num !< Number of shear stress components to reflect for boundary conditions + integer, allocatable :: beta_vars(:) !< Indices of variables to communicate for bubble/particle coupling + + $:GPU_DECLARE(create='[beta_vars]') + + integer :: shear_num !< Number of shear stress components + integer, dimension(3) :: shear_indices !< Indices of the stress components that represent shear stress + integer :: shear_BC_flip_num !< Number of shear stress components to reflect for boundary conditions + !> Indices of shear stress components to reflect for boundary conditions. Size: (1:3, 1:shear_BC_flip_num) for (x/y/z, + !! [indices]) integer, dimension(3, 2) :: shear_BC_flip_indices !< Shear stress BC reflection indices (1:3, 1:shear_BC_flip_num) + $:GPU_DECLARE(create='[shear_num, shear_indices, shear_BC_flip_num, shear_BC_flip_indices]') ! END: Simulation Algorithm Parameters ! Fluids Physical Parameters + !> Database of the physical parameters of each of the fluids that is present in the flow. These include the stiffened gas + !! equation of state parameters, and the Reynolds numbers. type(physical_parameters), dimension(num_fluids_max) :: fluid_pp !< Stiffened gas EOS parameters and Reynolds numbers per fluid + ! Subgrid Bubble Parameters type(subgrid_bubble_physical_parameters) :: bub_pp - integer :: fd_order !< Finite-difference order for CoM and flow probe derivatives - integer :: fd_number !< Finite-difference half-stencil size: MAX(1, fd_order/2) + + ! Subgrid Particle Parameters + type(subgrid_particle_physical_parameters) :: particle_pp + + !> The order of the finite-difference (fd) approximations of the first-order derivatives that need to be evaluated when the CoM + !! or flow probe data files are to be written at each time step + integer :: fd_order !< Finite-difference order for CoM and flow probe derivatives + + !> The finite-difference number is given by MAX(1, fd_order/2). Essentially, it is a measure of the half-size of the + !! finite-difference stencil for the selected order of accuracy. + integer :: fd_number !< Finite-difference half-stencil size: MAX(1, fd_order/2) $:GPU_DECLARE(create='[fd_order, fd_number]') logical :: probe_wrt @@ -352,6 +393,9 @@ module m_global_parameters type(ib_patch_parameters), dimension(num_patches_max) :: patch_ib !< Immersed boundary patch parameters type(vec3_dt), allocatable, dimension(:) :: airfoil_grid_u, airfoil_grid_l integer :: Np + !! Database of the immersed boundary patch parameters for each of the patches employed in the configuration of the initial + !! condition. Note that the maximum allowable number of patches, num_patches_max, may be changed in the module + !! m_derived_types.f90. $:GPU_DECLARE(create='[ib, num_ibs, patch_ib, Np, airfoil_grid_u, airfoil_grid_l]') !> @} @@ -429,6 +473,12 @@ module m_global_parameters $:GPU_DECLARE(create='[R0ref, p0ref, rho0ref, T0ref, ss, pv, vd, mu_l, mu_v, mu_g, gam_v, gam_g, M_v, M_g, cp_v, cp_g, R_v, R_g]') !> @} + !> @name Solid particle physical parameters + !> @{ + real(wp) :: cp_particle, rho0ref_particle + $:GPU_DECLARE(create='[rho0ref_particle, cp_particle]') + !> @} + !> @name Acoustic acoustic_source parameters !> @{ logical :: acoustic_source !< Acoustic source switch @@ -471,15 +521,30 @@ module m_global_parameters !> @name lagrangian subgrid bubble parameters !> @{! logical :: bubbles_lagrange !< Lagrangian subgrid bubble model switch - type(bubbles_lagrange_parameters) :: lag_params !< Lagrange bubbles' parameters - $:GPU_DECLARE(create='[bubbles_lagrange, lag_params]') + logical :: particles_lagrange !< Lagrangian subgrid particle model switch + type(bubbles_lagrange_parameters) :: lag_params !< Lagrange bubbles' parameters + integer :: n_el_bubs_loc, n_el_bubs_glb !< Number of Lagrangian bubbles (local and global) + integer :: n_el_particles_loc, n_el_particles_glb !< Number of Lagrangian particles (local and global) + logical :: moving_lag_bubbles + logical :: moving_lag_particles + logical :: lag_pressure_force + logical :: lag_gravity_force + integer :: lag_vel_model, lag_drag_model + $:GPU_DECLARE(create='[bubbles_lagrange, lag_params, n_el_bubs_loc, n_el_bubs_glb]') + $:GPU_DECLARE(create='[particles_lagrange, n_el_particles_loc, n_el_particles_glb]') + $:GPU_DECLARE(create='[moving_lag_particles]') + $:GPU_DECLARE(create='[moving_lag_bubbles, lag_vel_model, lag_drag_model]') + $:GPU_DECLARE(create='[lag_pressure_force, lag_gravity_force]') !> @} real(wp) :: Bx0 !< Constant magnetic field in the x-direction (1D) $:GPU_DECLARE(create='[Bx0]') logical :: fft_wrt + !> AMDFlang workaround: keep a dummy logical to avoid a compiler case-optimization bug when a parameter+GPU-kernel conditional + !! is false logical :: dummy !< AMDFlang workaround for case-optimization + GPU-kernel bug + !> @name Continuum damage model parameters !> @{! real(wp) :: tau_star !< Stress threshold for continuum damage modeling @@ -502,6 +567,7 @@ contains impure subroutine s_assign_default_values_to_user_inputs integer :: i, j !< Generic loop iterator + ! Logistics case_dir = '.' @@ -596,6 +662,7 @@ contains num_bc_patches = 0 bc_io = .false. + periodic_bc = .false. bc_x%beg = dflt_int; bc_x%end = dflt_int bc_y%beg = dflt_int; bc_y%end = dflt_int @@ -608,9 +675,9 @@ contains #:endfor #:endfor - x_domain%beg = dflt_real; x_domain%end = dflt_real - y_domain%beg = dflt_real; y_domain%end = dflt_real - z_domain%beg = dflt_real; z_domain%end = dflt_real + glb_bounds(1)%beg = dflt_real; glb_bounds(1)%end = dflt_real + glb_bounds(2)%beg = dflt_real; glb_bounds(2)%end = dflt_real + glb_bounds(3)%beg = dflt_real; glb_bounds(3)%end = dflt_real ! Fluids physical parameters do i = 1, num_fluids_max @@ -645,6 +712,14 @@ contains bub_pp%R_v = dflt_real; R_v = dflt_real bub_pp%R_g = dflt_real; R_g = dflt_real + ! Subgrid particle parameters + particle_pp%rho0ref_particle = dflt_real + particle_pp%cp_particle = dflt_real + particle_pp%ksp_col = dflt_real + particle_pp%nu_col = dflt_real + particle_pp%E_col = dflt_real + particle_pp%cor_col = dflt_real + ! Tait EOS rhoref = dflt_real pref = dflt_real @@ -774,10 +849,31 @@ contains lag_params%massTransfer_model = .false. lag_params%write_bubbles = .false. lag_params%write_bubbles_stats = .false. + lag_params%write_void_evol = .false. lag_params%nBubs_glb = dflt_int + lag_params%vel_model = dflt_int + lag_params%drag_model = dflt_int + lag_params%pressure_force = .true. + lag_params%gravity_force = .false. lag_params%epsilonb = 1._wp lag_params%charwidth = dflt_real + lag_params%charNz = dflt_int lag_params%valmaxvoid = dflt_real + lag_params%input_path = 'input/lag_bubbles.dat' + lag_params%nParticles_glb = dflt_int + lag_params%qs_drag_model = dflt_int + lag_params%stokes_drag = dflt_int + lag_params%added_mass_model = dflt_int + lag_params%interpolation_order = dflt_int + lag_params%collision_force = .false. + lag_params%qs_fluct_force = .false. + lag_params%mu_ref = dflt_real + + moving_lag_bubbles = .false. + lag_vel_model = dflt_int + + particles_lagrange = .false. + moving_lag_particles = .false. ! Continuum damage model tau_star = dflt_real @@ -837,7 +933,8 @@ contains end subroutine s_assign_default_values_to_user_inputs - !> Initialize the global parameters module + !> The computation of parameters, the allocation of memory, the association of pointers and/or the execution of any other + !! procedures that are necessary to setup the module. impure subroutine s_initialize_global_parameters_module integer :: i, j, k @@ -845,7 +942,6 @@ contains #:if not MFC_CASE_OPTIMIZATION ! Determining the degree of the WENO polynomials - if (recon_type == WENO_TYPE) then weno_polyn = (weno_order - 1)/2 if (teno) then @@ -863,7 +959,9 @@ contains $:GPU_UPDATE(device='[igr, igr_order, igr_iter_solver]') #:endif - ! Initialize counts: viscous fluids, surface-tension interfaces, curvature interfaces + ! Initializing the number of fluids for which viscous effects will be non-negligible, the number of distinctive material + ! interfaces for which surface tension will be important and also, the number of fluids for which the physical and geometric + ! curvatures of the interfaces will be computed Re_size = 0 Re_size_max = 0 @@ -894,7 +992,9 @@ contains E_idx = mom_idx%end + 1 if (igr) then - ! IGR: volume fractions after energy (N-1 for N fluids; skipped when num_fluids=1) + ! Volume fractions are stored in the indices immediately following the energy equation. IGR tracks a total of + ! (N-1) volume fractions for N fluids, hence the "-1" in adv_idx%end. If num_fluids = 1 then adv_idx%end < + ! adv_idx%beg, which skips all loops over the volume fractions since there is no volume fraction to track adv_idx%beg = E_idx + 1 ! Alpha for fluid 1 adv_idx%end = E_idx + num_fluids - 1 else @@ -1029,7 +1129,8 @@ contains end if end if - ! Count fluids with non-negligible viscous effects (Re > 0) + ! Determining the number of fluids for which the shear and the volume Reynolds numbers, e.g. viscous effects, are + ! important do i = 1, num_fluids if (fluid_pp(i)%Re(1) > 0) Re_size(1) = Re_size(1) + 1 if (fluid_pp(i)%Re(2) > 0) Re_size(2) = Re_size(2) + 1 @@ -1122,6 +1223,16 @@ contains ! END: Volume Fraction Model + if (bubbles_lagrange) then + @:ALLOCATE(beta_vars(1:3)) + beta_vars(1:3) = [1, 2, 5] + $:GPU_UPDATE(device='[beta_vars]') + else if (particles_lagrange) then + @:ALLOCATE(beta_vars(1:7)) + beta_vars(1:7) = [1, 2, 3, 4, 5, 6, 7] + $:GPU_UPDATE(device='[beta_vars]') + end if + if (chemistry) then species_idx%beg = sys_size + 1 species_idx%end = sys_size + num_species @@ -1134,6 +1245,9 @@ contains else if (bubbles_lagrange) then allocate (MPI_IO_DATA%view(1:sys_size + 1)) allocate (MPI_IO_DATA%var(1:sys_size + 1)) + else if (particles_lagrange) then + allocate (MPI_IO_DATA%view(1:sys_size + 1)) + allocate (MPI_IO_DATA%var(1:sys_size + 1)) else allocate (MPI_IO_DATA%view(1:sys_size)) allocate (MPI_IO_DATA%var(1:sys_size)) @@ -1155,9 +1269,16 @@ contains allocate (MPI_IO_DATA%var(i)%sf(0:m,0:n,0:p)) MPI_IO_DATA%var(i)%sf => null() end do + else if (particles_lagrange) then + do i = 1, sys_size + 1 + allocate (MPI_IO_DATA%var(i)%sf(0:m,0:n,0:p)) + MPI_IO_DATA%var(i)%sf => null() + end do end if - ! Configure WENO averaging flag (arithmetic mean vs. unaltered values) + ! Configuring the WENO average flag that will be used to regulate whether any spatial derivatives are to computed in each + ! cell by using the arithmetic mean of left and right, WENO-reconstructed, cell-boundary values or otherwise, the unaltered + ! left and right, WENO-reconstructed, cell-boundary values wa_flg = 0._wp; if (weno_avg) wa_flg = 1._wp $:GPU_UPDATE(device='[wa_flg]') @@ -1169,20 +1290,16 @@ contains if (ib) allocate (MPI_IO_IB_DATA%var%sf(0:m,0:n,0:p)) Np = 0 - if (elasticity) then - fd_number = max(1, fd_order/2) - end if - + if (elasticity) fd_number = max(1, fd_order/2) if (mhd) then ! TODO merge with above; waiting for hyperelasticity PR fd_number = max(1, fd_order/2) end if - - if (probe_wrt) then - fd_number = max(1, fd_order/2) - end if + if (probe_wrt) fd_number = max(1, fd_order/2) + if (bubbles_lagrange) fd_number = max(1, fd_order/2) + if (particles_lagrange) fd_number = max(1, fd_order/2) call s_configure_coordinate_bounds(recon_type, weno_polyn, muscl_polyn, igr_order, buff_size, idwint, idwbuff, viscous, & - & bubbles_lagrange, m, n, p, num_dims, igr, ib) + & bubbles_lagrange, particles_lagrange, m, n, p, num_dims, igr, ib, fd_number) $:GPU_UPDATE(device='[idwint, idwbuff]') ! Configuring Coordinate Direction Indexes @@ -1295,6 +1412,8 @@ contains #:endif allocate (proc_coords(1:num_dims)) + @:ALLOCATE(pcomm_coords(1:num_dims)) + @:ALLOCATE(pcomm_coords_ghost(1:num_dims)) if (parallel_io .neqv. .true.) return @@ -1327,6 +1446,14 @@ contains end if deallocate (proc_coords) + + @:DEALLOCATE(pcomm_coords) + @:DEALLOCATE(pcomm_coords_ghost) + + if (bubbles_lagrange .or. particles_lagrange) then + @:DEALLOCATE(beta_vars) + end if + if (parallel_io) then deallocate (start_idx) @@ -1334,6 +1461,10 @@ contains do i = 1, sys_size + 1 MPI_IO_DATA%var(i)%sf => null() end do + else if (particles_lagrange) then + do i = 1, sys_size + 1 + MPI_IO_DATA%var(i)%sf => null() + end do else do i = 1, sys_size MPI_IO_DATA%var(i)%sf => null() @@ -1355,6 +1486,10 @@ contains if (p == 0) return @:DEALLOCATE(z_cb, z_cc, dz) + if (allocated(neighbor_ranks)) then + @:DEALLOCATE(neighbor_ranks) + end if + end subroutine s_finalize_global_parameters_module end module m_global_parameters diff --git a/src/simulation/m_ib_patches.fpp b/src/simulation/m_ib_patches.fpp index a7d8e45eee..41aeffec30 100644 --- a/src/simulation/m_ib_patches.fpp +++ b/src/simulation/m_ib_patches.fpp @@ -32,26 +32,26 @@ module m_ib_patches integer :: smooth_patch_id real(wp) :: smooth_coeff $:GPU_DECLARE(create='[smooth_patch_id, smooth_coeff]') - ! These variables are analogous in both meaning and use to the similarly named components in the ic_patch_parameters type (see - ! m_derived_types.f90 for additional details). They are employed as a means to more concisely perform the actions necessary to - ! lay out a particular patch on the grid. + !! These variables are analogous in both meaning and use to the similarly named components in the ic_patch_parameters type (see + !! m_derived_types.f90 for additional details). They are employed as a means to more concisely perform the actions necessary to + !! lay out a particular patch on the grid. real(wp) :: cart_x, cart_y, cart_z real(wp) :: sph_phi $:GPU_DECLARE(create='[cart_x, cart_y, cart_z, sph_phi]') - ! Variables to be used to hold cell locations in Cartesian coordinates if 3D simulation is using cylindrical coordinates + !! Variables to be used to hold cell locations in Cartesian coordinates if 3D simulation is using cylindrical coordinates type(bounds_info) :: x_boundary, y_boundary, z_boundary $:GPU_DECLARE(create='[x_boundary, y_boundary, z_boundary]') - ! These variables combine the centroid and length parameters associated with a particular patch to yield the locations of the - ! patch boundaries in the x-, y- and z-coordinate directions. They are used as a means to concisely perform the actions - ! necessary to lay out a particular patch on the grid. + !! These variables combine the centroid and length parameters associated with a particular patch to yield the locations of the + !! patch boundaries in the x-, y- and z-coordinate directions. They are used as a means to concisely perform the actions + !! necessary to lay out a particular patch on the grid. character(len=5) :: istr !< string to store int to string result for error checking contains - !> Apply all immersed boundary patch geometries to mark interior cells in the IB marker array + !> @brief Applies all immersed boundary patch geometries to mark interior cells in the IB marker array. impure subroutine s_apply_ib_patches(ib_markers) type(integer_field), intent(inout) :: ib_markers @@ -112,7 +112,12 @@ contains end subroutine s_apply_ib_patches - !> Mark cells inside a circular immersed boundary + !> The circular patch is a 2D geometry that may be used, for example, in creating a bubble or a droplet. The geometry of the + !! patch is well-defined when its centroid and radius are provided. Note that the circular patch DOES allow for the smoothing of + !! its boundary. + !! @param patch_id is the patch identifier + !! @param ib_markers Array to track patch ids + !! @param ib True if this patch is an immersed boundary subroutine s_ib_circle(patch_id, ib_markers, xp, yp) integer, intent(in) :: patch_id @@ -125,8 +130,8 @@ contains ! Transferring the circular patch's radius, centroid, smearing patch identity and smearing coefficient information - center(1) = patch_ib(patch_id)%x_centroid + real(xp, wp)*(x_domain%end - x_domain%beg) - center(2) = patch_ib(patch_id)%y_centroid + real(yp, wp)*(y_domain%end - y_domain%beg) + center(1) = patch_ib(patch_id)%x_centroid + real(xp, wp)*(glb_bounds(1)%end - glb_bounds(1)%beg) + center(2) = patch_ib(patch_id)%y_centroid + real(yp, wp)*(glb_bounds(2)%end - glb_bounds(2)%beg) radius = patch_ib(patch_id)%radius ! encode the periodicity information into the patch_id @@ -140,7 +145,8 @@ contains call get_bounding_indices(center(1) - radius, center(1) + radius, x_cc, il, ir) call get_bounding_indices(center(2) - radius, center(2) + radius, y_cc, jl, jr) - ! Assign primitive variables if circle covers cell and patch has write permission + ! Checking whether the circle covers a particular cell in the domain and verifying whether the current patch has permission + ! to write to that cell. If both queries check out, the primitive variables of the current patch are assigned to this cell. $:GPU_PARALLEL_LOOP(private='[i, j]', copyin='[encoded_patch_id, center, radius]', collapse=2) do j = jl, jr @@ -154,7 +160,9 @@ contains end subroutine s_ib_circle - !> Mark cells inside a 2D NACA 4-digit airfoil immersed boundary + !> @brief Marks cells inside a 2D NACA 4-digit airfoil immersed boundary using upper and lower surface grids. + !! @param patch_id is the patch identifier + !! @param ib_markers Array to track patch ids subroutine s_ib_airfoil(patch_id, ib_markers, xp, yp) integer, intent(in) :: patch_id @@ -169,8 +177,8 @@ contains real(wp), dimension(1:2) :: center !< x and y coordinates in local IB frame real(wp), dimension(1:3,1:3) :: inverse_rotation - center(1) = patch_ib(patch_id)%x_centroid + real(xp, wp)*(x_domain%end - x_domain%beg) - center(2) = patch_ib(patch_id)%y_centroid + real(yp, wp)*(y_domain%end - y_domain%beg) + center(1) = patch_ib(patch_id)%x_centroid + real(xp, wp)*(glb_bounds(1)%end - glb_bounds(1)%beg) + center(2) = patch_ib(patch_id)%y_centroid + real(yp, wp)*(glb_bounds(2)%end - glb_bounds(2)%beg) ca_in = patch_ib(patch_id)%c pa = patch_ib(patch_id)%p ma = patch_ib(patch_id)%m @@ -187,7 +195,7 @@ contains @:ALLOCATE(airfoil_grid_u(1:Np)) @:ALLOCATE(airfoil_grid_l(1:Np)) - ! TODO :: The below instantiations are already handled by the loop below + ! TODO :: The below instantiations are already handles by the loop below airfoil_grid_u(1)%x = 0._wp airfoil_grid_u(1)%y = 0._wp @@ -195,7 +203,7 @@ contains airfoil_grid_l(1)%y = 0._wp do i = 1, Np1 + Np2 - 1 - ! TODO :: This allocates the upper and lower airfoil arrays, and does not need to be performed each time the IB + ! TODO :: This allocated the upper and lower airfoil arrays, and does not need to be performed each time the IB ! markers are updated. Place this as a separate subroutine. if (i <= Np1) then xc = i*(pa*ca_in/Np1) @@ -277,11 +285,13 @@ contains end do if (f_approx_equal(airfoil_grid_u(k)%x, xy_local(1))) then if (xy_local(2) <= airfoil_grid_u(k)%y) then + !!IB ib_markers%sf(i, j, 0) = encoded_patch_id end if else f = (airfoil_grid_u(k)%x - xy_local(1))/(airfoil_grid_u(k)%x - airfoil_grid_u(k - 1)%x) if (xy_local(2) <= ((1._wp - f)*airfoil_grid_u(k)%y + f*airfoil_grid_u(k - 1)%y)) then + !!IB ib_markers%sf(i, j, 0) = encoded_patch_id end if end if @@ -292,12 +302,14 @@ contains end do if (f_approx_equal(airfoil_grid_l(k)%x, xy_local(1))) then if (xy_local(2) >= airfoil_grid_l(k)%y) then + !!IB ib_markers%sf(i, j, 0) = encoded_patch_id end if else f = (airfoil_grid_l(k)%x - xy_local(1))/(airfoil_grid_l(k)%x - airfoil_grid_l(k - 1)%x) if (xy_local(2) >= ((1._wp - f)*airfoil_grid_l(k)%y + f*airfoil_grid_l(k - 1)%y)) then + !!IB ib_markers%sf(i, j, 0) = encoded_patch_id end if end if @@ -309,7 +321,10 @@ contains end subroutine s_ib_airfoil - !> Mark cells inside a 3D extruded NACA 4-digit airfoil immersed boundary with finite span + !> @brief Marks cells inside a 3D extruded NACA 4-digit airfoil immersed boundary with finite span. + !! @param patch_id is the patch identifier + !! @param ib_markers Array to track patch ids + !! @param ib True if this patch is an immersed boundary subroutine s_ib_3D_airfoil(patch_id, ib_markers, xp, yp, zp) integer, intent(in) :: patch_id @@ -322,9 +337,9 @@ contains real(wp), dimension(1:3) :: xyz_local, center, offset !< x, y, z coordinates in local IB frame real(wp), dimension(1:3,1:3) :: inverse_rotation - center(1) = patch_ib(patch_id)%x_centroid + real(xp, wp)*(x_domain%end - x_domain%beg) - center(2) = patch_ib(patch_id)%y_centroid + real(yp, wp)*(y_domain%end - y_domain%beg) - center(3) = patch_ib(patch_id)%z_centroid + real(zp, wp)*(z_domain%end - z_domain%beg) + center(1) = patch_ib(patch_id)%x_centroid + real(xp, wp)*(glb_bounds(1)%end - glb_bounds(1)%beg) + center(2) = patch_ib(patch_id)%y_centroid + real(yp, wp)*(glb_bounds(2)%end - glb_bounds(2)%beg) + center(3) = patch_ib(patch_id)%z_centroid + real(zp, wp)*(glb_bounds(3)%end - glb_bounds(3)%beg) lz = patch_ib(patch_id)%length_z ca_in = patch_ib(patch_id)%c pa = patch_ib(patch_id)%p @@ -436,6 +451,7 @@ contains else f = (airfoil_grid_u(k)%x - xyz_local(1))/(airfoil_grid_u(k)%x - airfoil_grid_u(k - 1)%x) if (xyz_local(2) <= ((1._wp - f)*airfoil_grid_u(k)%y + f*airfoil_grid_u(k - 1)%y)) then + !!IB ib_markers%sf(i, j, l) = encoded_patch_id end if end if @@ -446,12 +462,14 @@ contains end do if (f_approx_equal(airfoil_grid_l(k)%x, xyz_local(1))) then if (xyz_local(2) >= airfoil_grid_l(k)%y) then + !!IB ib_markers%sf(i, j, l) = encoded_patch_id end if else f = (airfoil_grid_l(k)%x - xyz_local(1))/(airfoil_grid_l(k)%x - airfoil_grid_l(k - 1)%x) if (xyz_local(2) >= ((1._wp - f)*airfoil_grid_l(k)%y + f*airfoil_grid_l(k - 1)%y)) then + !!IB ib_markers%sf(i, j, l) = encoded_patch_id end if end if @@ -465,7 +483,13 @@ contains end subroutine s_ib_3D_airfoil - !> Mark cells inside a rectangular immersed boundary + !> The rectangular patch is a 2D geometry that may be used, for example, in creating a solid boundary, or pre-/post- shock + !! region, in alignment with the axes of the Cartesian coordinate system. The geometry of such a patch is well- defined when its + !! centroid and lengths in the x- and y- coordinate directions are provided. Please note that the rectangular patch DOES NOT + !! allow for the smoothing of its boundaries. + !! @param patch_id is the patch identifier + !! @param ib_markers Array to track patch ids + !! @param ib True if this patch is an immersed boundary subroutine s_ib_rectangle(patch_id, ib_markers, xp, yp) integer, intent(in) :: patch_id @@ -480,8 +504,8 @@ contains ! Transferring the rectangle's centroid and length information - center(1) = patch_ib(patch_id)%x_centroid + real(xp, wp)*(x_domain%end - x_domain%beg) - center(2) = patch_ib(patch_id)%y_centroid + real(yp, wp)*(y_domain%end - y_domain%beg) + center(1) = patch_ib(patch_id)%x_centroid + real(xp, wp)*(glb_bounds(1)%end - glb_bounds(1)%beg) + center(2) = patch_ib(patch_id)%y_centroid + real(yp, wp)*(glb_bounds(2)%end - glb_bounds(2)%beg) length(1) = patch_ib(patch_id)%length_x length(2) = patch_ib(patch_id)%length_y inverse_rotation(:,:) = patch_ib(patch_id)%rotation_matrix_inverse(:,:) @@ -498,7 +522,9 @@ contains call get_bounding_indices(center(1) - corner_distance, center(1) + corner_distance, x_cc, il, ir) call get_bounding_indices(center(2) - corner_distance, center(2) + corner_distance, y_cc, jl, jr) - ! Assign primitive variables if rectangle covers cell and patch has write permission + ! Checking whether the rectangle covers a particular cell in the domain and verifying whether the current patch has the + ! permission to write to that cell. If both queries check out, the primitive variables of the current patch are assigned to + ! this cell. $:GPU_PARALLEL_LOOP(private='[i, j, xy_local]', copyin='[encoded_patch_id, center, length, inverse_rotation, x_cc, & & y_cc]', collapse=2) do j = jl, jr @@ -518,12 +544,18 @@ contains end subroutine s_ib_rectangle - !> Mark cells inside a spherical immersed boundary + !> The spherical patch is a 3D geometry that may be used, for example, in creating a bubble or a droplet. The patch geometry is + !! well-defined when its centroid and radius are provided. Please note that the spherical patch DOES allow for the smoothing of + !! its boundary. + !! @param patch_id is the patch identifier + !! @param ib_markers Array to track patch ids + !! @param ib True if this patch is an immersed boundary subroutine s_ib_sphere(patch_id, ib_markers, xp, yp, zp) integer, intent(in) :: patch_id type(integer_field), intent(inout) :: ib_markers integer, intent(in) :: xp, yp, zp !< integers containing the periodicity projection information + ! Generic loop iterators integer :: i, j, k integer :: il, ir, jl, jr, kl, kr @@ -531,13 +563,14 @@ contains real(wp) :: radius real(wp), dimension(1:3) :: center - ! Variables to initialize the pressure field that corresponds to the bubble-collapse test case found in Tiwari et al. (2013) + !! Variables to initialize the pressure field that corresponds to the bubble-collapse test case found in Tiwari et al. + !! (2013) ! Transferring spherical patch's radius, centroid, smoothing patch identity and smoothing coefficient information - center(1) = patch_ib(patch_id)%x_centroid + real(xp, wp)*(x_domain%end - x_domain%beg) - center(2) = patch_ib(patch_id)%y_centroid + real(yp, wp)*(y_domain%end - y_domain%beg) - center(3) = patch_ib(patch_id)%z_centroid + real(zp, wp)*(z_domain%end - z_domain%beg) + center(1) = patch_ib(patch_id)%x_centroid + real(xp, wp)*(glb_bounds(1)%end - glb_bounds(1)%beg) + center(2) = patch_ib(patch_id)%y_centroid + real(yp, wp)*(glb_bounds(2)%end - glb_bounds(2)%beg) + center(3) = patch_ib(patch_id)%z_centroid + real(zp, wp)*(glb_bounds(3)%end - glb_bounds(3)%beg) radius = patch_ib(patch_id)%radius ! encode the periodicity information into the patch_id @@ -560,6 +593,7 @@ contains do k = kl, kr do j = jl, jr do i = il, ir + ! do i = -gp_layers, m+gp_layers if (grid_geometry == 3) then call s_convert_cylindrical_to_cartesian_coord(y_cc(j), z_cc(k)) else @@ -577,7 +611,12 @@ contains end subroutine s_ib_sphere - !> Mark cells inside a cuboidal immersed boundary + !> The cuboidal patch is a 3D geometry that may be used, for example, in creating a solid boundary, or pre-/post-shock region, + !! which is aligned with the axes of the Cartesian coordinate system. The geometry of such a patch is well- defined when its + !! centroid and lengths in the x-, y- and z-coordinate directions are provided. Please notice that the cuboidal patch DOES NOT + !! allow for the smearing of its boundaries. + !! @param patch_id is the patch identifier + !! @param ib_markers Array to track patch ids subroutine s_ib_cuboid(patch_id, ib_markers, xp, yp, zp) integer, intent(in) :: patch_id @@ -591,9 +630,9 @@ contains ! Transferring the cuboid's centroid and length information - center(1) = patch_ib(patch_id)%x_centroid + real(xp, wp)*(x_domain%end - x_domain%beg) - center(2) = patch_ib(patch_id)%y_centroid + real(yp, wp)*(y_domain%end - y_domain%beg) - center(3) = patch_ib(patch_id)%z_centroid + real(zp, wp)*(z_domain%end - z_domain%beg) + center(1) = patch_ib(patch_id)%x_centroid + real(xp, wp)*(glb_bounds(1)%end - glb_bounds(1)%beg) + center(2) = patch_ib(patch_id)%y_centroid + real(yp, wp)*(glb_bounds(2)%end - glb_bounds(2)%beg) + center(3) = patch_ib(patch_id)%z_centroid + real(zp, wp)*(glb_bounds(3)%end - glb_bounds(3)%beg) length(1) = patch_ib(patch_id)%length_x length(2) = patch_ib(patch_id)%length_y length(3) = patch_ib(patch_id)%length_z @@ -645,7 +684,13 @@ contains end subroutine s_ib_cuboid - !> Mark cells inside a cylindrical immersed boundary + !> The cylindrical patch is a 3D geometry that may be used, for example, in setting up a cylindrical solid boundary confinement, + !! like a blood vessel. The geometry of this patch is well-defined when the centroid, the radius and the length along the + !! cylinder's axis, parallel to the x-, y- or z-coordinate direction, are provided. Please note that the cylindrical patch DOES + !! allow for the smoothing of its lateral boundary. + !! @param patch_id is the patch identifier + !! @param ib_markers Array to track patch ids + !! @param ib True if this patch is an immersed boundary subroutine s_ib_cylinder(patch_id, ib_markers, xp, yp, zp) integer, intent(in) :: patch_id @@ -660,9 +705,9 @@ contains ! Transferring the cylindrical patch's centroid, length, radius, - center(1) = patch_ib(patch_id)%x_centroid + real(xp, wp)*(x_domain%end - x_domain%beg) - center(2) = patch_ib(patch_id)%y_centroid + real(yp, wp)*(y_domain%end - y_domain%beg) - center(3) = patch_ib(patch_id)%z_centroid + real(zp, wp)*(z_domain%end - z_domain%beg) + center(1) = patch_ib(patch_id)%x_centroid + real(xp, wp)*(glb_bounds(1)%end - glb_bounds(1)%beg) + center(2) = patch_ib(patch_id)%y_centroid + real(yp, wp)*(glb_bounds(2)%end - glb_bounds(2)%beg) + center(3) = patch_ib(patch_id)%z_centroid + real(zp, wp)*(glb_bounds(3)%end - glb_bounds(3)%beg) length(1) = patch_ib(patch_id)%length_x length(2) = patch_ib(patch_id)%length_y length(3) = patch_ib(patch_id)%length_z @@ -716,7 +761,7 @@ contains end subroutine s_ib_cylinder - !> Mark cells inside a 2D elliptical immersed boundary + !> @brief Marks cells inside a 2D elliptical immersed boundary defined by semi-axis lengths and rotation. subroutine s_ib_ellipse(patch_id, ib_markers, xp, yp) integer, intent(in) :: patch_id @@ -731,8 +776,8 @@ contains ! Transferring the ellipse's centroid and length information - center(1) = patch_ib(patch_id)%x_centroid + real(xp, wp)*(x_domain%end - x_domain%beg) - center(2) = patch_ib(patch_id)%y_centroid + real(yp, wp)*(y_domain%end - y_domain%beg) + center(1) = patch_ib(patch_id)%x_centroid + real(xp, wp)*(glb_bounds(1)%end - glb_bounds(1)%beg) + center(2) = patch_ib(patch_id)%y_centroid + real(yp, wp)*(glb_bounds(2)%end - glb_bounds(2)%beg) ellipse_coeffs(1) = 0.5_wp*patch_ib(patch_id)%length_x ellipse_coeffs(2) = 0.5_wp*patch_ib(patch_id)%length_y inverse_rotation(:,:) = patch_ib(patch_id)%rotation_matrix_inverse(:,:) @@ -769,6 +814,8 @@ contains end subroutine s_ib_ellipse !> The STL patch is a 2D geometry that is imported from an STL file. + !! @param patch_id is the patch identifier + !! @param ib_markers Array to track patch ids subroutine s_ib_model(patch_id, ib_markers, xp, yp) integer, intent(in) :: patch_id @@ -786,8 +833,8 @@ contains real(wp), dimension(1:3,1:3) :: inverse_rotation, rotation center = 0._wp - center(1) = patch_ib(patch_id)%x_centroid + real(xp, wp)*(x_domain%end - x_domain%beg) - center(2) = patch_ib(patch_id)%y_centroid + real(yp, wp)*(y_domain%end - y_domain%beg) + center(1) = patch_ib(patch_id)%x_centroid + real(xp, wp)*(glb_bounds(1)%end - glb_bounds(1)%beg) + center(2) = patch_ib(patch_id)%y_centroid + real(yp, wp)*(glb_bounds(2)%end - glb_bounds(2)%beg) inverse_rotation(:,:) = patch_ib(patch_id)%rotation_matrix_inverse(:,:) rotation(:,:) = patch_ib(patch_id)%rotation_matrix(:,:) offset(:) = patch_ib(patch_id)%centroid_offset(:) @@ -846,6 +893,8 @@ contains end subroutine s_ib_model !> The STL patch is a 3D geometry that is imported from an STL file. + !! @param patch_id is the patch identifier + !! @param ib_markers Array to track patch ids subroutine s_ib_3d_model(patch_id, ib_markers, xp, yp, zp) integer, intent(in) :: patch_id @@ -862,9 +911,9 @@ contains real(wp), dimension(1:3) :: bbox_min, bbox_max, local_corner, world_corner center = 0._wp - center(1) = patch_ib(patch_id)%x_centroid + real(xp, wp)*(x_domain%end - x_domain%beg) - center(2) = patch_ib(patch_id)%y_centroid + real(yp, wp)*(y_domain%end - y_domain%beg) - center(3) = patch_ib(patch_id)%z_centroid + real(zp, wp)*(z_domain%end - z_domain%beg) + center(1) = patch_ib(patch_id)%x_centroid + real(xp, wp)*(glb_bounds(1)%end - glb_bounds(1)%beg) + center(2) = patch_ib(patch_id)%y_centroid + real(yp, wp)*(glb_bounds(2)%end - glb_bounds(2)%beg) + center(3) = patch_ib(patch_id)%z_centroid + real(zp, wp)*(glb_bounds(3)%end - glb_bounds(3)%beg) inverse_rotation(:,:) = patch_ib(patch_id)%rotation_matrix_inverse(:,:) offset(:) = patch_ib(patch_id)%centroid_offset(:) spc = patch_ib(patch_id)%model_spc @@ -932,7 +981,7 @@ contains end subroutine s_ib_3d_model - !> Compute a rotation matrix for converting to the rotating frame of the boundary + !> Subroutine that computes a rotation matrix for converting to the rotating frame of the boundary subroutine s_update_ib_rotation_matrix(patch_id) integer, intent(in) :: patch_id @@ -978,7 +1027,7 @@ contains end subroutine s_update_ib_rotation_matrix - !> Convert cylindrical (r, theta) coordinates to Cartesian (y, z) + !> @brief Converts cylindrical (r, theta) coordinates to Cartesian (y, z) and stores in module variables. subroutine s_convert_cylindrical_to_cartesian_coord(cyl_y, cyl_z) $:GPU_ROUTINE(parallelism='[seq]') @@ -990,7 +1039,7 @@ contains end subroutine s_convert_cylindrical_to_cartesian_coord - !> Convert a 3D cylindrical coordinate vector (x, r, theta) to Cartesian (x, y, z) + !> @brief Converts a 3D cylindrical coordinate vector (x, r, theta) to Cartesian (x, y, z). pure function f_convert_cyl_to_cart(cyl) result(cart) $:GPU_ROUTINE(parallelism='[seq]') @@ -1002,7 +1051,7 @@ contains end function f_convert_cyl_to_cart - !> Convert cylindrical coordinates (x, r) to the spherical azimuthal angle phi + !> @brief Converts cylindrical coordinates (x, r) to the spherical azimuthal angle phi and stores in a module variable. subroutine s_convert_cylindrical_to_spherical_coord(cyl_x, cyl_y) $:GPU_ROUTINE(parallelism='[seq]') @@ -1052,7 +1101,7 @@ contains end subroutine get_bounding_indices - !> Encode the patch ID with a unique offset containing periodicity information + !> @brief encodes the patch id with a unique offset that contains information on how the IB marker wraps periodically subroutine s_encode_patch_periodicity(patch_id, x_periodicity, y_periodicity, z_periodicity, encoded_patch_id) integer, intent(in) :: patch_id, x_periodicity, y_periodicity, z_periodicity @@ -1070,7 +1119,7 @@ contains end subroutine s_encode_patch_periodicity - !> Decode the encoded ID to recover the original patch ID and periodicity + !> @brief decodes the encoded id to get out the original id and the way in which it is periodic subroutine s_decode_patch_periodicity(encoded_patch_id, patch_id, x_periodicity, y_periodicity, z_periodicity) $:GPU_ROUTINE(parallelism='[seq]') @@ -1096,7 +1145,7 @@ contains end subroutine s_decode_patch_periodicity - !> Determine the periodic wrapping bounds in each direction + !> @brief Determines if we should wrap periodically subroutine s_get_periodicities(xp_lower, xp_upper, yp_lower, yp_upper, zp_lower, zp_upper) integer, intent(out) :: xp_lower, xp_upper, yp_lower, yp_upper @@ -1104,33 +1153,26 @@ contains ! check domain wraps in x, y - #:for X in [('x'), ('y')] - ! check for periodicity - - if (bc_${X}$%beg == BC_PERIODIC) then - ${X}$p_lower = -1 - ${X}$p_upper = 1 - else - ! if it is not periodic, then both elements are 0 - ${X}$p_lower = 0 - ${X}$p_upper = 0 + #:for X, ID in [('x', 1), ('y', 2), ('z', 3)] + if (num_dims >= ${ID}$) then + ! check for periodicity + if (bc_${X}$%beg == BC_PERIODIC) then + ${X}$p_lower = -1 + ${X}$p_upper = 1 + else + ! if it is not periodic, then both elements are 0 + ${X}$p_lower = 0 + ${X}$p_upper = 0 + end if end if #:endfor - ! z only if 3D - if (present(zp_lower) .and. p /= 0) then - if (bc_z%beg == BC_PERIODIC) then - zp_lower = -1 - zp_upper = 1 - else - zp_lower = 0 - zp_upper = 0 - end if - end if - end subroutine s_get_periodicities !> Archimedes spiral function + !! @param myth Angle + !! @param offset Thickness + !! @param a Starting position pure elemental function f_r(myth, offset, a) $:GPU_ROUTINE(parallelism='[seq]') diff --git a/src/simulation/m_ibm.fpp b/src/simulation/m_ibm.fpp index 785bf2dec3..2ed45357ed 100644 --- a/src/simulation/m_ibm.fpp +++ b/src/simulation/m_ibm.fpp @@ -79,10 +79,11 @@ contains $:GPU_UPDATE(device='[patch_ib(1:num_ibs)]') ! GPU routines require updated cell centers - $:GPU_UPDATE(device='[num_ibs, x_cc, y_cc, dx, dy, x_domain, y_domain]') + $:GPU_UPDATE(device='[num_ibs, x_cc, y_cc, dx, dy]') if (p /= 0) then - $:GPU_UPDATE(device='[z_cc, dz, z_domain]') + $:GPU_UPDATE(device='[z_cc, dz]') end if + $:GPU_UPDATE(device='[glb_bounds]') ! allocate STL models call s_instantiate_STL_models() @@ -164,7 +165,6 @@ contains type(ghost_point) :: innerp ! set the Moving IBM interior conservative variables - $:GPU_PARALLEL_LOOP(private='[i, j, k, patch_id, rho]', copyin='[E_idx, momxb]', collapse=3) do l = 0, p do k = 0, n @@ -243,7 +243,7 @@ contains ! Pressure correction for moving IB: accounts for acceleration of IB surface q_prim_vf(E_idx)%sf(j, k, l) = q_prim_vf(E_idx)%sf(j, k, & & l) + pres_IP/(1._wp - 2._wp*abs(gp%levelset*alpha_rho_IP(q)/pres_IP) & - & *dot_product(patch_ib(patch_id) %force/patch_ib(patch_id)%mass, gp%levelset_norm)) + & *dot_product(patch_ib(patch_id)%force/patch_ib(patch_id)%mass, gp%levelset_norm)) end do end if @@ -450,12 +450,12 @@ contains print *, [x_cc(i), y_cc(j), z_cc(k)] end if print *, "We are searching in dimension ", dim, " for image point at ", ghost_points_in(q)%ip_loc(:) - print *, "Domain size: ", [x_cc(-buff_size), y_cc(-buff_size), z_cc(-buff_size)] + print *, "Domain size: " print *, "x: ", x_cc(-buff_size), " to: ", x_cc(m + buff_size - 1) print *, "y: ", y_cc(-buff_size), " to: ", y_cc(n + buff_size - 1) if (p /= 0) print *, "z: ", z_cc(-buff_size), " to: ", z_cc(p + buff_size - 1) print *, "Image point is located approximately ", & - & (ghost_points_in(q)%loc(dim) - ghost_points_in(q) %ip_loc(dim))/(s_cc(1) - s_cc(0)), & + & (ghost_points_in(q)%loc(dim) - ghost_points_in(q)%ip_loc(dim))/(s_cc(1) - s_cc(0)), & & " grid cells away" print *, "Levelset ", dist, " and Norm: ", norm(:) print *, & @@ -541,8 +541,7 @@ contains if (p == 0) gp_layers_z = 0 $:GPU_PARALLEL_LOOP(private='[i, j, k, ii, jj, kk, is_gp, local_idx, patch_id, encoded_patch_id, xp, yp, zp]', & - & copyin='[count, count_i, x_domain, y_domain, z_domain]', firstprivate='[gp_layers, gp_layers_z]', & - & collapse=3) + & copyin='[count, count_i, glb_bounds]', firstprivate='[gp_layers, gp_layers_z]', collapse=3) do i = 0, m do j = 0, n do k = 0, p @@ -576,26 +575,26 @@ contains ghost_points_in(local_idx)%z_periodicity = zp ghost_points_in(local_idx)%slip = patch_ib(patch_id)%slip - if ((x_cc(i) - dx(i)) < x_domain%beg) then + if ((x_cc(i) - dx(i)) < glb_bounds(1)%beg) then ghost_points_in(local_idx)%DB(1) = -1 - else if ((x_cc(i) + dx(i)) > x_domain%end) then + else if ((x_cc(i) + dx(i)) > glb_bounds(1)%end) then ghost_points_in(local_idx)%DB(1) = 1 else ghost_points_in(local_idx)%DB(1) = 0 end if - if ((y_cc(j) - dy(j)) < y_domain%beg) then + if ((y_cc(j) - dy(j)) < glb_bounds(2)%beg) then ghost_points_in(local_idx)%DB(2) = -1 - else if ((y_cc(j) + dy(j)) > y_domain%end) then + else if ((y_cc(j) + dy(j)) > glb_bounds(2)%end) then ghost_points_in(local_idx)%DB(2) = 1 else ghost_points_in(local_idx)%DB(2) = 0 end if if (p /= 0) then - if ((z_cc(k) - dz(k)) < z_domain%beg) then + if ((z_cc(k) - dz(k)) < glb_bounds(3)%beg) then ghost_points_in(local_idx)%DB(3) = -1 - else if ((z_cc(k) + dz(k)) > z_domain%end) then + else if ((z_cc(k) + dz(k)) > glb_bounds(3)%end) then ghost_points_in(local_idx)%DB(3) = 1 else ghost_points_in(local_idx)%DB(3) = 0 @@ -1132,8 +1131,8 @@ contains else ! we do not have an analytic moment of inertia calculation and need to approximate it directly via a sum count = 0 moment = 0._wp - cell_volume = (x_cc(1) - x_cc(0))*(y_cc(1) - y_cc(0)) - ! computed without grid stretching. Update in the loop to perform with stretching + cell_volume = (x_cc(1) - x_cc(0))*(y_cc(1) - y_cc(0)) & + & ! computed without grid stretching. Update in the loop to perform with stretching if (p /= 0) then cell_volume = cell_volume*(z_cc(1) - z_cc(0)) end if @@ -1184,35 +1183,21 @@ contains do patch_id = 1, num_ibs ! check domain wraps in x, y, - #:for X in [('x'), ('y')] - ! check for periodicity - if (bc_${X}$%beg == BC_PERIODIC) then - ! check if the boundary has left the domain, and then correct - if (patch_ib(patch_id)%${X}$_centroid < ${X}$_domain%beg) then - ! if the boundary exited "left", wrap it back around to the "right" - patch_ib(patch_id)%${X}$_centroid = patch_ib(patch_id)%${X}$_centroid + (${X}$_domain%end & - & - ${X}$_domain%beg) - else if (patch_ib(patch_id)%${X}$_centroid > ${X}$_domain%end) then - ! if the boundary exited "right", wrap it back around to the "left" - patch_ib(patch_id)%${X}$_centroid = patch_ib(patch_id)%${X}$_centroid - (${X}$_domain%end & - & - ${X}$_domain%beg) + #:for X, ID in [('x', 1), ('y', 2), ('z',3)] + if (num_dims >= ${ID}$) then + if (bc_${X}$%beg == BC_PERIODIC) then + if (patch_ib(patch_id)%${X}$_centroid < glb_bounds(${ID}$)%beg) then + patch_ib(patch_id)%${X}$_centroid = patch_ib(patch_id)%${X}$_centroid + (glb_bounds(${ID}$)%end & + & - glb_bounds(${ID}$)%beg) + else if (patch_ib(patch_id)%${X}$_centroid > glb_bounds(${ID}$)%end) then + patch_ib(patch_id)%${X}$_centroid = patch_ib(patch_id)%${X}$_centroid - (glb_bounds(${ID}$)%end & + & - glb_bounds(${ID}$)%beg) + end if end if end if #:endfor - - if (p /= 0) then - ! check for periodicity - if (bc_z%beg == BC_PERIODIC) then - ! check if the boundary has left the domain, and then correct - if (patch_ib(patch_id)%z_centroid < z_domain%beg) then - ! if the boundary exited "left", wrap it back around to the "right" - patch_ib(patch_id)%z_centroid = patch_ib(patch_id)%z_centroid + (z_domain%end - z_domain%beg) - else if (patch_ib(patch_id)%z_centroid > z_domain%end) then - ! if the boundary exited "right", wrap it back around to the "left" - patch_ib(patch_id)%z_centroid = patch_ib(patch_id)%z_centroid - (z_domain%end - z_domain%beg) - end if - end if - end if + ! check for periodicity check if the boundary has left the domain, and then correct if the boundary exited "left", wrap + ! it back around to the "right" if the boundary exited "right", wrap it back around to the "left" end do end subroutine s_wrap_periodic_ibs diff --git a/src/simulation/m_mpi_proxy.fpp b/src/simulation/m_mpi_proxy.fpp index a2b6c84326..bffebf079d 100644 --- a/src/simulation/m_mpi_proxy.fpp +++ b/src/simulation/m_mpi_proxy.fpp @@ -27,6 +27,24 @@ module m_mpi_proxy integer :: i_halo_size $:GPU_DECLARE(create='[i_halo_size]') + integer, dimension(-1:1,-1:1,-1:1) :: p_send_counts, p_recv_counts + integer, dimension(:,:,:,:), allocatable :: p_send_ids + character(len=1), dimension(:), allocatable :: p_send_buff, p_recv_buff + integer :: p_buff_size, p_var_size + !! EL Bubbles communication variables + integer, parameter :: MAX_NEIGHBORS = 27 + integer :: send_requests(MAX_NEIGHBORS), recv_requests(MAX_NEIGHBORS) + integer :: recv_offsets(MAX_NEIGHBORS) + integer :: neighbor_list(MAX_NEIGHBORS, 3) + integer :: n_neighbors + $:GPU_DECLARE(create='[p_send_counts]') + integer, allocatable :: force_send_counts(:), force_recv_counts(:) + integer, allocatable :: force_send_ids(:,:) + integer, allocatable :: flat_send_ids(:) + real(wp), allocatable :: force_send_vals(:,:,:) + real(wp), allocatable :: flat_send_vals(:) + $:GPU_DECLARE(create='[force_send_counts, force_send_ids, force_send_vals]') + contains !> Initialize the MPI proxy module @@ -52,6 +70,79 @@ contains end subroutine s_initialize_mpi_proxy_module + !! @param lag_num_ts Number of stages in time-stepping scheme + subroutine s_initialize_particles_mpi(lag_num_ts) + + integer :: i, j, k + integer :: real_size, int_size, nReal, lag_num_ts + integer :: ierr !< Generic flag used to identify and report MPI errors + +#ifdef MFC_MPI + call MPI_Pack_size(1, mpi_p, MPI_COMM_WORLD, real_size, ierr) + call MPI_Pack_size(1, MPI_INTEGER, MPI_COMM_WORLD, int_size, ierr) + nReal = 7 + 16*2 + 10*lag_num_ts + p_var_size = nReal*real_size + int_size + p_buff_size = lag_params%nBubs_glb*p_var_size + @:ALLOCATE(p_send_buff(0:p_buff_size), p_recv_buff(0:p_buff_size)) + @:ALLOCATE(p_send_ids(nidx(1)%beg:nidx(1)%end, nidx(2)%beg:nidx(2)%end, nidx(3)%beg:nidx(3)%end, 0:lag_params%nBubs_glb)) + ! First, collect all neighbor information + n_neighbors = 0 + do k = nidx(3)%beg, nidx(3)%end + do j = nidx(2)%beg, nidx(2)%end + do i = nidx(1)%beg, nidx(1)%end + if (abs(i) + abs(j) + abs(k) /= 0) then + n_neighbors = n_neighbors + 1 + neighbor_list(n_neighbors, 1) = i + neighbor_list(n_neighbors, 2) = j + neighbor_list(n_neighbors, 3) = k + end if + end do + end do + end do +#endif + + end subroutine s_initialize_particles_mpi + + !! @param lag_num_ts Number of stages in time-stepping scheme + subroutine s_initialize_solid_particles_mpi(lag_num_ts) + + integer :: i, j, k + integer :: real_size, int_size, nReal, lag_num_ts + integer :: ierr !< Generic flag used to identify and report MPI errors + +#ifdef MFC_MPI + call MPI_Pack_size(1, mpi_p, MPI_COMM_WORLD, real_size, ierr) + call MPI_Pack_size(1, MPI_INTEGER, MPI_COMM_WORLD, int_size, ierr) + nReal = 10 + 13*2 + 7*lag_num_ts + p_var_size = (nReal*real_size + 2*int_size) + p_buff_size = lag_params%nParticles_glb*p_var_size + @:ALLOCATE(p_send_buff(0:p_buff_size), p_recv_buff(0:p_buff_size)) + @:ALLOCATE(p_send_ids(nidx(1)%beg:nidx(1)%end, nidx(2)%beg:nidx(2)%end, nidx(3)%beg:nidx(3)%end, & + & 0:lag_params%nParticles_glb)) + ! First, collect all neighbor information + n_neighbors = 0 + do k = nidx(3)%beg, nidx(3)%end + do j = nidx(2)%beg, nidx(2)%end + do i = nidx(1)%beg, nidx(1)%end + if (abs(i) + abs(j) + abs(k) /= 0) then + n_neighbors = n_neighbors + 1 + neighbor_list(n_neighbors, 1) = i + neighbor_list(n_neighbors, 2) = j + neighbor_list(n_neighbors, 3) = k + end if + end do + end do + end do + @:ALLOCATE(force_send_counts(0:num_procs-1)) + @:ALLOCATE(force_recv_counts(0:num_procs-1)) + @:ALLOCATE(force_send_ids(0:num_procs-1, 1:lag_params%nParticles_glb)) + @:ALLOCATE(force_send_vals(0:num_procs-1, 1:lag_params%nParticles_glb, 1:3)) + @:ALLOCATE(flat_send_ids(1:lag_params%nParticles_glb)) + @:ALLOCATE(flat_send_vals(1:3*lag_params%nParticles_glb)) +#endif + + end subroutine s_initialize_solid_particles_mpi + !> Since only the processor with rank 0 reads and verifies the consistency of user inputs, these are initially not available to !! the other processors. Then, the purpose of this subroutine is to distribute the user inputs to the remaining processors in !! the communicator. @@ -93,7 +184,7 @@ contains & 'cfl_adap_dt', 'cfl_const_dt', 'cfl_dt', 'surface_tension', & & 'shear_stress', 'bulk_stress', 'bubbles_lagrange', & & 'hyperelasticity', 'down_sample', 'int_comp','fft_wrt', & - & 'hyper_cleaning', 'ib_state_wrt'] + & 'hyper_cleaning', 'ib_state_wrt', 'particles_lagrange' ] call MPI_BCAST(${VAR}$, 1, MPI_LOGICAL, 0, MPI_COMM_WORLD, ierr) #:endfor @@ -109,17 +200,40 @@ contains if (bubbles_lagrange) then #:for VAR in [ 'heatTransfer_model', 'massTransfer_model', 'pressure_corrector', & - & 'write_bubbles', 'write_bubbles_stats'] + & 'write_bubbles', 'write_bubbles_stats', 'write_void_evol', 'pressure_force', & + & 'gravity_force'] call MPI_BCAST(lag_params%${VAR}$, 1, MPI_LOGICAL, 0, MPI_COMM_WORLD, ierr) #:endfor - #:for VAR in ['solver_approach', 'cluster_type', 'smooth_type', 'nBubs_glb'] + #:for VAR in ['solver_approach', 'cluster_type', 'smooth_type', 'nBubs_glb', 'vel_model', & + & 'drag_model', 'charNz'] call MPI_BCAST(lag_params%${VAR}$, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr) #:endfor #:for VAR in ['epsilonb','charwidth','valmaxvoid'] call MPI_BCAST(lag_params%${VAR}$, 1, mpi_p, 0, MPI_COMM_WORLD, ierr) #:endfor + + call MPI_BCAST(lag_params%input_path, len(lag_params%input_path), MPI_CHARACTER, 0, MPI_COMM_WORLD, ierr) + end if + + if (particles_lagrange) then + #:for VAR in [ 'heatTransfer_model', 'massTransfer_model', 'pressure_corrector', & + & 'write_bubbles', 'write_bubbles_stats', 'write_void_evol', 'pressure_force', & + & 'gravity_force', 'collision_force', 'qs_fluct_force'] + call MPI_BCAST(lag_params%${VAR}$, 1, MPI_LOGICAL, 0, MPI_COMM_WORLD, ierr) + #:endfor + + #:for VAR in ['solver_approach', 'cluster_type', 'smooth_type', 'nParticles_glb', 'vel_model', & + & 'drag_model', 'qs_drag_model', 'stokes_drag', 'added_mass_model', 'interpolation_order'] + call MPI_BCAST(lag_params%${VAR}$, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr) + #:endfor + + #:for VAR in ['epsilonb','charwidth','valmaxvoid','mu_ref'] + call MPI_BCAST(lag_params%${VAR}$, 1, mpi_p, 0, MPI_COMM_WORLD, ierr) + #:endfor + + call MPI_BCAST(lag_params%input_path, len(lag_params%input_path), MPI_CHARACTER, 0, MPI_COMM_WORLD, ierr) end if #:for VAR in [ 'dt','weno_eps','teno_CT','pref','rhoref','R0ref','Web','Ca', 'sigma', & @@ -128,9 +242,7 @@ contains & 'bc_y%vb1','bc_y%vb2','bc_y%vb3','bc_y%ve1','bc_y%ve2','bc_y%ve3', & & 'bc_z%vb1','bc_z%vb2','bc_z%vb3','bc_z%ve1','bc_z%ve2','bc_z%ve3', & & 'bc_x%pres_in','bc_x%pres_out','bc_y%pres_in','bc_y%pres_out', 'bc_z%pres_in','bc_z%pres_out', & - & 'x_domain%beg', 'x_domain%end', 'y_domain%beg', 'y_domain%end', & - & 'z_domain%beg', 'z_domain%end', 'x_a', 'x_b', 'y_a', 'y_b', 'z_a', & - & 'z_b', 't_stop', 't_save', 'cfl_target', 'Bx0', 'alf_factor', & + & 't_stop', 't_save', 'cfl_target', 'Bx0', 'alf_factor', & & 'tau_star', 'cont_damage_s', 'alpha_bar', 'adap_dt_tol', & & 'ic_eps', 'ic_beta', 'hyper_cleaning_speed', & & 'hyper_cleaning_tau' ] @@ -179,6 +291,12 @@ contains #:endfor end if + if (particles_lagrange) then + #:for VAR in [ 'rho0ref_particle','cp_particle','ksp_col','nu_col','E_col','cor_col'] + call MPI_BCAST(particle_pp%${VAR}$, 1, mpi_p, 0, MPI_COMM_WORLD, ierr) + #:endfor + end if + do i = 1, num_fluids_max #:for VAR in ['bc_x%alpha_rho_in','bc_x%alpha_in','bc_y%alpha_rho_in','bc_y%alpha_in','bc_z%alpha_rho_in', & & 'bc_z%alpha_in'] @@ -233,11 +351,927 @@ contains call MPI_BCAST(nv_uvm_out_of_core, 1, MPI_LOGICAL, 0, MPI_COMM_WORLD, ierr) call MPI_BCAST(nv_uvm_igr_temps_on_gpu, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr) call MPI_BCAST(nv_uvm_pref_gpu, 1, MPI_LOGICAL, 0, MPI_COMM_WORLD, ierr) + + ! Extra BC Variable + call MPI_BCAST(periodic_bc, 3, MPI_LOGICAL, 0, MPI_COMM_WORLD, ierr) #endif end subroutine s_mpi_bcast_user_inputs !> Broadcast random phase numbers from rank 0 to all MPI processes + !> @brief Packs, exchanges, and unpacks immersed boundary marker buffers between neighboring MPI ranks. + subroutine s_mpi_sendrecv_ib_buffers(ib_markers, mpi_dir, pbc_loc) + + type(integer_field), intent(inout) :: ib_markers + integer, intent(in) :: mpi_dir, pbc_loc + integer :: i, j, k, l, r, q !< Generic loop iterators + integer :: buffer_counts(1:3), buffer_count + type(int_bounds_info) :: boundary_conditions(1:3) + integer :: beg_end(1:2), grid_dims(1:3) + integer :: dst_proc, src_proc, recv_tag, send_tag + logical :: beg_end_geq_0, qbmm_comm + integer :: pack_offset, unpack_offset + +#ifdef MFC_MPI + integer :: ierr !< Generic flag used to identify and report MPI errors + + call nvtxStartRange("IB-MARKER-COMM-PACKBUF") + + buffer_counts = (/buff_size*(n + 1)*(p + 1), buff_size*(m + 2*buff_size + 1)*(p + 1), & + & buff_size*(m + 2*buff_size + 1)*(n + 2*buff_size + 1)/) + + buffer_count = buffer_counts(mpi_dir) + boundary_conditions = (/bc_x, bc_y, bc_z/) + beg_end = (/boundary_conditions(mpi_dir)%beg, boundary_conditions(mpi_dir)%end/) + beg_end_geq_0 = beg_end(max(pbc_loc, 0) - pbc_loc + 1) >= 0 + + send_tag = f_logical_to_int(.not. f_xor(beg_end_geq_0, pbc_loc == 1)) + recv_tag = f_logical_to_int(pbc_loc == 1) + + dst_proc = beg_end(1 + f_logical_to_int(f_xor(pbc_loc == 1, beg_end_geq_0))) + src_proc = beg_end(1 + f_logical_to_int(pbc_loc == 1)) + + grid_dims = (/m, n, p/) + + pack_offset = 0 + if (f_xor(pbc_loc == 1, beg_end_geq_0)) then + pack_offset = grid_dims(mpi_dir) - buff_size + 1 + end if + + unpack_offset = 0 + if (pbc_loc == 1) then + unpack_offset = grid_dims(mpi_dir) + buff_size + 1 + end if + + ! Pack Buffer to Send + #:for mpi_dir in [1, 2, 3] + if (mpi_dir == ${mpi_dir}$) then + #:if mpi_dir == 1 + $:GPU_PARALLEL_LOOP(collapse=3,private='[j, k, l, r]') + do l = 0, p + do k = 0, n + do j = 0, buff_size - 1 + r = (j + buff_size*(k + (n + 1)*l)) + ib_buff_send(r) = ib_markers%sf(j + pack_offset, k, l) + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + #:elif mpi_dir == 2 + $:GPU_PARALLEL_LOOP(collapse=3,private='[j, k, l, r]') + do l = 0, p + do k = 0, buff_size - 1 + do j = -buff_size, m + buff_size + r = ((j + buff_size) + (m + 2*buff_size + 1)*(k + buff_size*l)) + ib_buff_send(r) = ib_markers%sf(j, k + pack_offset, l) + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + #:else + $:GPU_PARALLEL_LOOP(collapse=3,private='[j, k, l, r]') + do l = 0, buff_size - 1 + do k = -buff_size, n + buff_size + do j = -buff_size, m + buff_size + r = ((j + buff_size) + (m + 2*buff_size + 1)*((k + buff_size) + (n + 2*buff_size + 1)*l)) + ib_buff_send(r) = ib_markers%sf(j, k, l + pack_offset) + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + #:endif + end if + #:endfor + call nvtxEndRange ! Packbuf + + #:for rdma_mpi in [False, True] + if (rdma_mpi .eqv. ${'.true.' if rdma_mpi else '.false.'}$) then + #:if rdma_mpi + #:call GPU_HOST_DATA(use_device_addr='[ib_buff_send, ib_buff_recv]') + call nvtxStartRange("IB-MARKER-SENDRECV-RDMA") + call MPI_SENDRECV(ib_buff_send, buffer_count, MPI_INTEGER, dst_proc, send_tag, ib_buff_recv, & + & buffer_count, MPI_INTEGER, src_proc, recv_tag, MPI_COMM_WORLD, MPI_STATUS_IGNORE, ierr) + call nvtxEndRange + #:endcall GPU_HOST_DATA + $:GPU_WAIT() + #:else + call nvtxStartRange("IB-MARKER-DEV2HOST") + $:GPU_UPDATE(host='[ib_buff_send]') + call nvtxEndRange + + call nvtxStartRange("IB-MARKER-SENDRECV-NO-RMDA") + call MPI_SENDRECV(ib_buff_send, buffer_count, MPI_INTEGER, dst_proc, send_tag, ib_buff_recv, buffer_count, & + & MPI_INTEGER, src_proc, recv_tag, MPI_COMM_WORLD, MPI_STATUS_IGNORE, ierr) + call nvtxEndRange + + call nvtxStartRange("IB-MARKER-HOST2DEV") + $:GPU_UPDATE(device='[ib_buff_recv]') + call nvtxEndRange + #:endif + end if + #:endfor + + ! Unpack Received Buffer + call nvtxStartRange("IB-MARKER-COMM-UNPACKBUF") + #:for mpi_dir in [1, 2, 3] + if (mpi_dir == ${mpi_dir}$) then + #:if mpi_dir == 1 + $:GPU_PARALLEL_LOOP(collapse=3,private='[j, k, l, r]') + do l = 0, p + do k = 0, n + do j = -buff_size, -1 + r = (j + buff_size*((k + 1) + (n + 1)*l)) + ib_markers%sf(j + unpack_offset, k, l) = ib_buff_recv(r) + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + #:elif mpi_dir == 2 + $:GPU_PARALLEL_LOOP(collapse=3,private='[j, k, l, r]') + do l = 0, p + do k = -buff_size, -1 + do j = -buff_size, m + buff_size + r = ((j + buff_size) + (m + 2*buff_size + 1)*((k + buff_size) + buff_size*l)) + ib_markers%sf(j, k + unpack_offset, l) = ib_buff_recv(r) + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + #:else + ! Unpacking buffer from bc_z%beg + $:GPU_PARALLEL_LOOP(collapse=3,private='[j, k, l, r]') + do l = -buff_size, -1 + do k = -buff_size, n + buff_size + do j = -buff_size, m + buff_size + r = ((j + buff_size) + (m + 2*buff_size + 1)*((k + buff_size) + (n + 2*buff_size + 1)*(l & + & + buff_size))) + ib_markers%sf(j, k, l + unpack_offset) = ib_buff_recv(r) + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + #:endif + end if + #:endfor + call nvtxEndRange +#endif + + end subroutine s_mpi_sendrecv_ib_buffers + + !! @param nPart Current LOCAL number of particles + !! @param pos Current position of each particle + !! @param posPrev Previous position of each particle (optional, not used + !! for communication of initial condition) + impure subroutine s_add_particles_to_transfer_list(nBub, pos, posPrev, include_ghost) + + real(wp), dimension(:,:) :: pos, posPrev + integer :: bubID, nbub + integer :: i, j, k + logical, optional, intent(in) :: include_ghost + + do k = nidx(3)%beg, nidx(3)%end + do j = nidx(2)%beg, nidx(2)%end + do i = nidx(1)%beg, nidx(1)%end + p_send_counts(i, j, k) = 0 + end do + end do + end do + + do k = 1, nbub + if (f_crosses_boundary(k, 1, -1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, -1, 0, 0) + if (n > 0) then + if (f_crosses_boundary(k, 2, -1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, -1, -1, 0) + call s_add_particle_to_direction(k, 0, -1, 0) + if (p > 0) then + if (f_crosses_boundary(k, 3, -1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, -1, -1, -1) + call s_add_particle_to_direction(k, 0, -1, -1) + call s_add_particle_to_direction(k, -1, 0, -1) + call s_add_particle_to_direction(k, 0, 0, -1) + else if (f_crosses_boundary(k, 3, 1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, -1, -1, 1) + call s_add_particle_to_direction(k, 0, -1, 1) + call s_add_particle_to_direction(k, -1, 0, 1) + call s_add_particle_to_direction(k, 0, 0, 1) + end if + end if + else if (f_crosses_boundary(k, 2, 1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, -1, 1, 0) + call s_add_particle_to_direction(k, 0, 1, 0) + if (p > 0) then + if (f_crosses_boundary(k, 3, -1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, -1, 1, -1) + call s_add_particle_to_direction(k, 0, 1, -1) + call s_add_particle_to_direction(k, -1, 0, -1) + call s_add_particle_to_direction(k, 0, 0, -1) + else if (f_crosses_boundary(k, 3, 1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, -1, 1, 1) + call s_add_particle_to_direction(k, 0, 1, 1) + call s_add_particle_to_direction(k, -1, 0, 1) + call s_add_particle_to_direction(k, 0, 0, 1) + end if + end if + else + if (p > 0) then + if (f_crosses_boundary(k, 3, -1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, -1, 0, -1) + call s_add_particle_to_direction(k, 0, 0, -1) + else if (f_crosses_boundary(k, 3, 1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, -1, 0, 1) + call s_add_particle_to_direction(k, 0, 0, 1) + end if + end if + end if + end if + else if (f_crosses_boundary(k, 1, 1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, 1, 0, 0) + if (n > 0) then + if (f_crosses_boundary(k, 2, -1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, 1, -1, 0) + call s_add_particle_to_direction(k, 0, -1, 0) + if (p > 0) then + if (f_crosses_boundary(k, 3, -1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, 1, -1, -1) + call s_add_particle_to_direction(k, 0, -1, -1) + call s_add_particle_to_direction(k, 1, 0, -1) + call s_add_particle_to_direction(k, 0, 0, -1) + else if (f_crosses_boundary(k, 3, 1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, 1, -1, 1) + call s_add_particle_to_direction(k, 0, -1, 1) + call s_add_particle_to_direction(k, 1, 0, 1) + call s_add_particle_to_direction(k, 0, 0, 1) + end if + end if + else if (f_crosses_boundary(k, 2, 1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, 1, 1, 0) + call s_add_particle_to_direction(k, 0, 1, 0) + if (p > 0) then + if (f_crosses_boundary(k, 3, -1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, 1, 1, -1) + call s_add_particle_to_direction(k, 0, 1, -1) + call s_add_particle_to_direction(k, 1, 0, -1) + call s_add_particle_to_direction(k, 0, 0, -1) + else if (f_crosses_boundary(k, 3, 1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, 1, 1, 1) + call s_add_particle_to_direction(k, 0, 1, 1) + call s_add_particle_to_direction(k, 1, 0, 1) + call s_add_particle_to_direction(k, 0, 0, 1) + end if + end if + else + if (p > 0) then + if (f_crosses_boundary(k, 3, -1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, 1, 0, -1) + call s_add_particle_to_direction(k, 0, 0, -1) + else if (f_crosses_boundary(k, 3, 1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, 1, 0, 1) + call s_add_particle_to_direction(k, 0, 0, 1) + end if + end if + end if + end if + else if (f_crosses_boundary(k, 2, -1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, 0, -1, 0) + if (p > 0) then + if (f_crosses_boundary(k, 3, -1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, 0, -1, -1) + call s_add_particle_to_direction(k, 0, 0, -1) + else if (f_crosses_boundary(k, 3, 1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, 0, -1, 1) + call s_add_particle_to_direction(k, 0, 0, 1) + end if + end if + else if (f_crosses_boundary(k, 2, 1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, 0, 1, 0) + if (p > 0) then + if (f_crosses_boundary(k, 3, -1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, 0, 1, -1) + call s_add_particle_to_direction(k, 0, 0, -1) + else if (f_crosses_boundary(k, 3, 1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, 0, 1, 1) + call s_add_particle_to_direction(k, 0, 0, 1) + end if + end if + else if (p > 0) then + if (f_crosses_boundary(k, 3, -1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, 0, 0, -1) + else if (f_crosses_boundary(k, 3, 1, pos, posPrev, include_ghost)) then + call s_add_particle_to_direction(k, 0, 0, 1) + end if + end if + end do + + contains + + logical function f_crosses_boundary(particle_id, dir, loc, pos, posPrev, include_ghost) + + integer, intent(in) :: particle_id, dir, loc + real(wp), dimension(:,:), intent(in) :: pos + real(wp), dimension(:,:), optional, intent(in) :: posPrev + logical, optional, intent(in) :: include_ghost + + if (present(include_ghost) .and. include_ghost) then + if (loc == -1) then ! Beginning of the domain + if (nidx(dir)%beg == 0) then + f_crosses_boundary = .false. + return + end if + + f_crosses_boundary = pos(particle_id, dir) < pcomm_coords_ghost(dir)%beg + else if (loc == 1) then ! End of the domain + if (nidx(dir)%end == 0) then + f_crosses_boundary = .false. + return + end if + + f_crosses_boundary = pos(particle_id, dir) > pcomm_coords_ghost(dir)%end + end if + else + if (loc == -1) then ! Beginning of the domain + if (nidx(dir)%beg == 0) then + f_crosses_boundary = .false. + return + end if + + f_crosses_boundary = (posPrev(particle_id, dir) >= pcomm_coords(dir)%beg .and. pos(particle_id, & + & dir) < pcomm_coords(dir)%beg) + else if (loc == 1) then ! End of the domain + if (nidx(dir)%end == 0) then + f_crosses_boundary = .false. + return + end if + + f_crosses_boundary = (posPrev(particle_id, dir) <= pcomm_coords(dir)%end .and. pos(particle_id, & + & dir) > pcomm_coords(dir)%end) + end if + end if + + end function f_crosses_boundary + + subroutine s_add_particle_to_direction(particle_id, dir_x, dir_y, dir_z) + + integer, intent(in) :: particle_id, dir_x, dir_y, dir_z + + p_send_ids(dir_x, dir_y, dir_z, p_send_counts(dir_x, dir_y, dir_z)) = particle_id + p_send_counts(dir_x, dir_y, dir_z) = p_send_counts(dir_x, dir_y, dir_z) + 1 + + end subroutine s_add_particle_to_direction + + end subroutine s_add_particles_to_transfer_list + + !! @param bub_R0 Initial radius of each bubble + !! @param Rmax_stats Maximum radius of each bubble + !! @param Rmin_stats Minimum radius of each bubble + !! @param gas_mg Mass of gas in each bubble + !! @param gas_betaT Heat flux model coefficient for each bubble + !! @param gas_betaC mass flux model coefficient for each bubble + !! @param bub_dphidt Subgrid velocity potential for each bubble + !! @param lag_id Global and local ID of each bubble + !! @param gas_p Pressure of the gas in each bubble + !! @param gas_mv Mass of vapor in each bubble + !! @param rad Radius of each bubble + !! @param rvel Radial velocity of each bubble + !! @param pos Position of each bubble + !! @param posPrev Previous position of each bubble + !! @param vel Velocity of each bubble + !! @param scoord Cell index in real format of each bubble + !! @param drad Radial velocity of each bubble + !! @param drvel Radial acceleration of each bubble + !! @param dgasp Time derivative of gas pressure in each bubble + !! @param dgasmv Time derivative of vapor mass in each bubble + !! @param dpos Time derivative of position of each bubble + !! @param dvel Time derivative of velocity of each bubble + !! @param lag_num_ts Number of stages in time-stepping scheme + !! @param nBubs Local number of bubbles + impure subroutine s_mpi_sendrecv_particles(bub_R0, Rmax_stats, Rmin_stats, gas_mg, gas_betaT, gas_betaC, bub_dphidt, lag_id, & + & gas_p, gas_mv, rad, rvel, pos, posPrev, vel, scoord, drad, drvel, dgasp, dgasmv, dpos, dvel, lag_num_ts, nbubs, dest) + + real(wp), dimension(:) :: bub_R0, Rmax_stats, Rmin_stats, gas_mg, gas_betaT, gas_betaC, bub_dphidt + integer, dimension(:,:) :: lag_id + real(wp), dimension(:,:) :: gas_p, gas_mv, rad, rvel, drad, drvel, dgasp, dgasmv + real(wp), dimension(:,:,:) :: pos, posPrev, vel, scoord, dpos, dvel + integer :: position, bub_id, lag_num_ts, tag, partner, send_tag, recv_tag, nbubs, p_recv_size, dest + integer :: i, j, k, l, q, r + integer :: req_send, req_recv, ierr !< Generic flag used to identify and report MPI errors + integer :: send_count, send_offset, recv_count, recv_offset + +#ifdef MFC_MPI + ! Phase 1: Exchange particle counts using non-blocking communication + send_count = 0 + recv_count = 0 + + ! Post all receives first + do l = 1, n_neighbors + i = neighbor_list(l, 1) + j = neighbor_list(l, 2) + k = neighbor_list(l, 3) + partner = neighbor_ranks(i, j, k) + recv_tag = neighbor_tag(i, j, k) + + recv_count = recv_count + 1 + call MPI_Irecv(p_recv_counts(i, j, k), 1, MPI_INTEGER, partner, recv_tag, MPI_COMM_WORLD, recv_requests(recv_count), & + & ierr) + end do + + ! Post all sends + do l = 1, n_neighbors + i = neighbor_list(l, 1) + j = neighbor_list(l, 2) + k = neighbor_list(l, 3) + partner = neighbor_ranks(i, j, k) + send_tag = neighbor_tag(-i, -j, -k) + + send_count = send_count + 1 + call MPI_Isend(p_send_counts(i, j, k), 1, MPI_INTEGER, partner, send_tag, MPI_COMM_WORLD, send_requests(send_count), & + & ierr) + end do + + ! Wait for all count exchanges to complete + if (recv_count > 0) then + call MPI_Waitall(recv_count, recv_requests(1:recv_count), MPI_STATUSES_IGNORE, ierr) + end if + if (send_count > 0) then + call MPI_Waitall(send_count, send_requests(1:send_count), MPI_STATUSES_IGNORE, ierr) + end if + + ! Phase 2: Exchange particle data using non-blocking communication + send_count = 0 + recv_count = 0 + + ! Post all receives for particle data first + recv_offset = 1 + do l = 1, n_neighbors + i = neighbor_list(l, 1) + j = neighbor_list(l, 2) + k = neighbor_list(l, 3) + + if (p_recv_counts(i, j, k) > 0) then + partner = neighbor_ranks(i, j, k) + p_recv_size = p_recv_counts(i, j, k)*p_var_size + recv_tag = neighbor_tag(i, j, k) + + recv_count = recv_count + 1 + call MPI_Irecv(p_recv_buff(recv_offset), p_recv_size, MPI_PACKED, partner, recv_tag, MPI_COMM_WORLD, & + & recv_requests(recv_count), ierr) + recv_offsets(l) = recv_offset + recv_offset = recv_offset + p_recv_size + end if + end do + + ! Pack and send particle data + send_offset = 0 + do l = 1, n_neighbors + i = neighbor_list(l, 1) + j = neighbor_list(l, 2) + k = neighbor_list(l, 3) + + if (p_send_counts(i, j, k) > 0 .and. abs(i) + abs(j) + abs(k) /= 0 .and. abs(i) + abs(j) + abs(k) /= 0) then + partner = neighbor_ranks(i, j, k) + send_tag = neighbor_tag(-i, -j, -k) + + ! Pack data for sending + position = 0 + do q = 0, p_send_counts(i, j, k) - 1 + bub_id = p_send_ids(i, j, k, q) + + call MPI_Pack(lag_id(bub_id, 1), 1, MPI_INTEGER, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + call MPI_Pack(bub_R0(bub_id), 1, mpi_p, p_send_buff(send_offset), p_buff_size, position, MPI_COMM_WORLD, ierr) + call MPI_Pack(Rmax_stats(bub_id), 1, mpi_p, p_send_buff(send_offset), p_buff_size, position, MPI_COMM_WORLD, & + & ierr) + call MPI_Pack(Rmin_stats(bub_id), 1, mpi_p, p_send_buff(send_offset), p_buff_size, position, MPI_COMM_WORLD, & + & ierr) + call MPI_Pack(gas_mg(bub_id), 1, mpi_p, p_send_buff(send_offset), p_buff_size, position, MPI_COMM_WORLD, ierr) + call MPI_Pack(gas_betaT(bub_id), 1, mpi_p, p_send_buff(send_offset), p_buff_size, position, MPI_COMM_WORLD, & + & ierr) + call MPI_Pack(gas_betaC(bub_id), 1, mpi_p, p_send_buff(send_offset), p_buff_size, position, MPI_COMM_WORLD, & + & ierr) + call MPI_Pack(bub_dphidt(bub_id), 1, mpi_p, p_send_buff(send_offset), p_buff_size, position, MPI_COMM_WORLD, & + & ierr) + do r = 1, 2 + call MPI_Pack(gas_p(bub_id, r), 1, mpi_p, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + call MPI_Pack(gas_mv(bub_id, r), 1, mpi_p, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + call MPI_Pack(rad(bub_id, r), 1, mpi_p, p_send_buff(send_offset), p_buff_size, position, MPI_COMM_WORLD, & + & ierr) + call MPI_Pack(rvel(bub_id, r), 1, mpi_p, p_send_buff(send_offset), p_buff_size, position, MPI_COMM_WORLD, & + & ierr) + call MPI_Pack(pos(bub_id,:,r), 3, mpi_p, p_send_buff(send_offset), p_buff_size, position, MPI_COMM_WORLD, & + & ierr) + call MPI_Pack(posPrev(bub_id,:,r), 3, mpi_p, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + call MPI_Pack(vel(bub_id,:,r), 3, mpi_p, p_send_buff(send_offset), p_buff_size, position, MPI_COMM_WORLD, & + & ierr) + call MPI_Pack(scoord(bub_id,:,r), 3, mpi_p, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + end do + do r = 1, lag_num_ts + call MPI_Pack(drad(bub_id, r), 1, mpi_p, p_send_buff(send_offset), p_buff_size, position, MPI_COMM_WORLD, & + & ierr) + call MPI_Pack(drvel(bub_id, r), 1, mpi_p, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + call MPI_Pack(dgasp(bub_id, r), 1, mpi_p, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + call MPI_Pack(dgasmv(bub_id, r), 1, mpi_p, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + call MPI_Pack(dpos(bub_id,:,r), 3, mpi_p, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + call MPI_Pack(dvel(bub_id,:,r), 3, mpi_p, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + end do + end do + + send_count = send_count + 1 + call MPI_Isend(p_send_buff(send_offset), position, MPI_PACKED, partner, send_tag, MPI_COMM_WORLD, & + & send_requests(send_count), ierr) + send_offset = send_offset + position + end if + end do + + ! Wait for all recvs for contiguous data to complete + call MPI_Waitall(recv_count, recv_requests(1:recv_count), MPI_STATUSES_IGNORE, ierr) + + ! Process received data as it arrives + do l = 1, n_neighbors + i = neighbor_list(l, 1) + j = neighbor_list(l, 2) + k = neighbor_list(l, 3) + + if (p_recv_counts(i, j, k) > 0 .and. abs(i) + abs(j) + abs(k) /= 0) then + p_recv_size = p_recv_counts(i, j, k)*p_var_size + recv_offset = recv_offsets(l) + + position = 0 + ! Unpack received data + do q = 0, p_recv_counts(i, j, k) - 1 + nbubs = nbubs + 1 + bub_id = nbubs + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, lag_id(bub_id, 1), 1, MPI_INTEGER, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, bub_R0(bub_id), 1, mpi_p, MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, Rmax_stats(bub_id), 1, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, Rmin_stats(bub_id), 1, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, gas_mg(bub_id), 1, mpi_p, MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, gas_betaT(bub_id), 1, mpi_p, MPI_COMM_WORLD, & + & ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, gas_betaC(bub_id), 1, mpi_p, MPI_COMM_WORLD, & + & ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, bub_dphidt(bub_id), 1, mpi_p, & + & MPI_COMM_WORLD, ierr) + do r = 1, 2 + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, gas_p(bub_id, r), 1, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, gas_mv(bub_id, r), 1, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, rad(bub_id, r), 1, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, rvel(bub_id, r), 1, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, pos(bub_id,:,r), 3, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, posPrev(bub_id,:,r), 3, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, vel(bub_id,:,r), 3, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, scoord(bub_id,:,r), 3, mpi_p, & + & MPI_COMM_WORLD, ierr) + end do + do r = 1, lag_num_ts + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, drad(bub_id, r), 1, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, drvel(bub_id, r), 1, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, dgasp(bub_id, r), 1, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, dgasmv(bub_id, r), 1, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, dpos(bub_id,:,r), 3, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, dvel(bub_id,:,r), 3, mpi_p, & + & MPI_COMM_WORLD, ierr) + end do + lag_id(bub_id, 2) = bub_id + end do + recv_offset = recv_offset + p_recv_size + end if + end do + + ! Wait for all sends to complete + if (send_count > 0) then + call MPI_Waitall(send_count, send_requests(1:send_count), MPI_STATUSES_IGNORE, ierr) + end if +#endif + + if (any(periodic_bc)) then + call s_wrap_particle_positions(pos, posPrev, nbubs, dest) + end if + + end subroutine s_mpi_sendrecv_particles + + !! @param particle_R0 Initial radius of each particle + !! @param Rmax_stats Maximum radius of each particle + !! @param Rmin_stats Minimum radius of each particle + !! @param particle_mass Mass of each particle + !! @param f_p Force on each particle + !! @param lag_id Global and local ID of each particle + !! @param rad Radius of each particle + !! @param pos Position of each particle + !! @param posPrev Previous position of each particle + !! @param vel Velocity of each particle + !! @param scoord Cell index in real format of each particle + !! @param drad Time derivative of particle's radius + !! @param dpos Time derivative of position of each particle + !! @param dvel Time derivative of velocity of each particle + !! @param lag_num_ts Number of stages in time-stepping scheme + !! @param nParticles Local number of particles + impure subroutine s_mpi_sendrecv_solid_particles(p_owner_rank, particle_R0, Rmax_stats, Rmin_stats, particle_mass, & + & particle_seed, f_p, fqs_fluct, lag_id, rad, pos, posPrev, vel, scoord, drad, dpos, dvel, lag_num_ts, nParticles, dest) + + integer, dimension(:) :: p_owner_rank + real(wp), dimension(:) :: particle_R0, Rmax_stats, Rmin_stats, particle_mass + integer, dimension(:) :: particle_seed + real(wp), dimension(:,:) :: f_p + real(wp), dimension(:,:) :: fqs_fluct + integer, dimension(:,:) :: lag_id + real(wp), dimension(:,:) :: rad, drad + real(wp), dimension(:,:,:) :: pos, posPrev, vel, scoord, dpos, dvel + integer :: position, particle_id, lag_num_ts, tag, partner, send_tag, recv_tag, nParticles, p_recv_size, dest + integer :: i, j, k, l, q, r + integer :: req_send, req_recv, ierr !< Generic flag used to identify and report MPI errors + integer :: send_count, send_offset, recv_count, recv_offset + +#ifdef MFC_MPI + ! Phase 1: Exchange particle counts using non-blocking communication + send_count = 0 + recv_count = 0 + + ! Post all receives first + do l = 1, n_neighbors + i = neighbor_list(l, 1) + j = neighbor_list(l, 2) + k = neighbor_list(l, 3) + partner = neighbor_ranks(i, j, k) + recv_tag = neighbor_tag(i, j, k) + + recv_count = recv_count + 1 + call MPI_Irecv(p_recv_counts(i, j, k), 1, MPI_INTEGER, partner, recv_tag, MPI_COMM_WORLD, recv_requests(recv_count), & + & ierr) + end do + + ! Post all sends + do l = 1, n_neighbors + i = neighbor_list(l, 1) + j = neighbor_list(l, 2) + k = neighbor_list(l, 3) + partner = neighbor_ranks(i, j, k) + send_tag = neighbor_tag(-i, -j, -k) + + send_count = send_count + 1 + call MPI_Isend(p_send_counts(i, j, k), 1, MPI_INTEGER, partner, send_tag, MPI_COMM_WORLD, send_requests(send_count), & + & ierr) + end do + + ! Wait for all count exchanges to complete + if (recv_count > 0) then + call MPI_Waitall(recv_count, recv_requests(1:recv_count), MPI_STATUSES_IGNORE, ierr) + end if + if (send_count > 0) then + call MPI_Waitall(send_count, send_requests(1:send_count), MPI_STATUSES_IGNORE, ierr) + end if + + ! Phase 2: Exchange particle data using non-blocking communication + send_count = 0 + recv_count = 0 + + ! Post all receives for particle data first + recv_offset = 1 + do l = 1, n_neighbors + i = neighbor_list(l, 1) + j = neighbor_list(l, 2) + k = neighbor_list(l, 3) + + if (p_recv_counts(i, j, k) > 0) then + partner = neighbor_ranks(i, j, k) + p_recv_size = p_recv_counts(i, j, k)*p_var_size + recv_tag = neighbor_tag(i, j, k) + + recv_count = recv_count + 1 + call MPI_Irecv(p_recv_buff(recv_offset), p_recv_size, MPI_PACKED, partner, recv_tag, MPI_COMM_WORLD, & + & recv_requests(recv_count), ierr) + recv_offsets(l) = recv_offset + recv_offset = recv_offset + p_recv_size + end if + end do + + ! Pack and send particle data + send_offset = 0 + do l = 1, n_neighbors + i = neighbor_list(l, 1) + j = neighbor_list(l, 2) + k = neighbor_list(l, 3) + + if (p_send_counts(i, j, k) > 0 .and. abs(i) + abs(j) + abs(k) /= 0 .and. abs(i) + abs(j) + abs(k) /= 0) then + partner = neighbor_ranks(i, j, k) + send_tag = neighbor_tag(-i, -j, -k) + + ! Pack data for sending + position = 0 + do q = 0, p_send_counts(i, j, k) - 1 + particle_id = p_send_ids(i, j, k, q) + + call MPI_Pack(lag_id(particle_id, 1), 1, MPI_INTEGER, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + call MPI_Pack(particle_R0(particle_id), 1, mpi_p, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + call MPI_Pack(Rmax_stats(particle_id), 1, mpi_p, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + call MPI_Pack(Rmin_stats(particle_id), 1, mpi_p, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + call MPI_Pack(particle_mass(particle_id), 1, mpi_p, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + call MPI_Pack(particle_seed(particle_id), 1, MPI_INTEGER, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + call MPI_Pack(f_p(particle_id,:), 3, mpi_p, p_send_buff(send_offset), p_buff_size, position, MPI_COMM_WORLD, & + & ierr) + call MPI_Pack(fqs_fluct(particle_id,:), 3, mpi_p, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + do r = 1, 2 + call MPI_Pack(rad(particle_id, r), 1, mpi_p, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + call MPI_Pack(pos(particle_id,:,r), 3, mpi_p, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + call MPI_Pack(posPrev(particle_id,:,r), 3, mpi_p, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + call MPI_Pack(vel(particle_id,:,r), 3, mpi_p, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + call MPI_Pack(scoord(particle_id,:,r), 3, mpi_p, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + end do + do r = 1, lag_num_ts + call MPI_Pack(drad(particle_id, r), 1, mpi_p, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + call MPI_Pack(dpos(particle_id,:,r), 3, mpi_p, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + call MPI_Pack(dvel(particle_id,:,r), 3, mpi_p, p_send_buff(send_offset), p_buff_size, position, & + & MPI_COMM_WORLD, ierr) + end do + end do + + send_count = send_count + 1 + call MPI_Isend(p_send_buff(send_offset), position, MPI_PACKED, partner, send_tag, MPI_COMM_WORLD, & + & send_requests(send_count), ierr) + send_offset = send_offset + position + end if + end do + + ! Wait for all recvs for contiguous data to complete + call MPI_Waitall(recv_count, recv_requests(1:recv_count), MPI_STATUSES_IGNORE, ierr) + + ! Process received data as it arrives + do l = 1, n_neighbors + i = neighbor_list(l, 1) + j = neighbor_list(l, 2) + k = neighbor_list(l, 3) + + if (p_recv_counts(i, j, k) > 0 .and. abs(i) + abs(j) + abs(k) /= 0) then + p_recv_size = p_recv_counts(i, j, k)*p_var_size + recv_offset = recv_offsets(l) + + position = 0 + ! Unpack received data + do q = 0, p_recv_counts(i, j, k) - 1 + nParticles = nParticles + 1 + particle_id = nParticles + + p_owner_rank(particle_id) = neighbor_ranks(i, j, k) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, lag_id(particle_id, 1), 1, MPI_INTEGER, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, particle_R0(particle_id), 1, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, Rmax_stats(particle_id), 1, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, Rmin_stats(particle_id), 1, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, particle_mass(particle_id), 1, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, particle_seed(particle_id), 1, MPI_INTEGER, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, f_p(particle_id,:), 3, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, fqs_fluct(particle_id,:), 3, mpi_p, & + & MPI_COMM_WORLD, ierr) + do r = 1, 2 + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, rad(particle_id, r), 1, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, pos(particle_id,:,r), 3, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, posPrev(particle_id,:,r), 3, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, vel(particle_id,:,r), 3, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, scoord(particle_id,:,r), 3, mpi_p, & + & MPI_COMM_WORLD, ierr) + end do + do r = 1, lag_num_ts + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, drad(particle_id, r), 1, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, dpos(particle_id,:,r), 3, mpi_p, & + & MPI_COMM_WORLD, ierr) + call MPI_Unpack(p_recv_buff(recv_offset), p_recv_size, position, dvel(particle_id,:,r), 3, mpi_p, & + & MPI_COMM_WORLD, ierr) + end do + lag_id(particle_id, 2) = particle_id + end do + recv_offset = recv_offset + p_recv_size + end if + end do + + ! Wait for all sends to complete + if (send_count > 0) then + call MPI_Waitall(send_count, send_requests(1:send_count), MPI_STATUSES_IGNORE, ierr) + end if +#endif + + if (any(periodic_bc)) then + call s_wrap_particle_positions(pos, posPrev, nParticles, dest) + end if + + end subroutine s_mpi_sendrecv_solid_particles + + !! @param i, j, k Indices of the neighbor in the range [-1, 1] + !! @return tag Unique integer tag for the neighbor + integer function neighbor_tag(i, j, k) result(tag) + + integer, intent(in) :: i, j, k + + tag = (k + 1)*9 + (j + 1)*3 + (i + 1) + + end function neighbor_tag + + subroutine s_wrap_particle_positions(pos, posPrev, nbubs, dest) + + real(wp), dimension(:,:,:) :: pos, posPrev + integer :: nbubs, dest + integer :: i, q + real(wp) :: offset + + do i = 1, nbubs + if (periodic_bc(1)) then + offset = glb_bounds(1)%end - glb_bounds(1)%beg + if (pos(i, 1, dest) > x_cb(m + buff_size)) then + do q = 1, 2 + pos(i, 1, q) = pos(i, 1, q) - offset + posPrev(i, 1, q) = posPrev(i, 1, q) - offset + end do + end if + if (pos(i, 1, dest) < x_cb(-1 - buff_size)) then + do q = 1, 2 + pos(i, 1, q) = pos(i, 1, q) + offset + posPrev(i, 1, q) = posPrev(i, 1, q) + offset + end do + end if + end if + + if (periodic_bc(2)) then + offset = glb_bounds(2)%end - glb_bounds(2)%beg + if (pos(i, 2, dest) > y_cb(n + buff_size)) then + do q = 1, 2 + pos(i, 2, q) = pos(i, 2, q) - offset + posPrev(i, 2, q) = posPrev(i, 2, q) - offset + end do + end if + if (pos(i, 2, dest) < y_cb(-buff_size - 1)) then + do q = 1, 2 + pos(i, 2, q) = pos(i, 2, q) + offset + posPrev(i, 2, q) = posPrev(i, 2, q) + offset + end do + end if + end if + + if (periodic_bc(3)) then + offset = glb_bounds(3)%end - glb_bounds(3)%beg + if (pos(i, 3, dest) > z_cb(p + buff_size)) then + do q = 1, 2 + pos(i, 3, q) = pos(i, 3, q) - offset + posPrev(i, 3, q) = posPrev(i, 3, q) - offset + end do + end if + if (pos(i, 3, dest) < z_cb(-1 - buff_size)) then + do q = 1, 2 + pos(i, 3, q) = pos(i, 3, q) + offset + posPrev(i, 3, q) = posPrev(i, 3, q) + offset + end do + end if + end if + end do + + end subroutine s_wrap_particle_positions + impure subroutine s_mpi_send_random_number(phi_rn, num_freq) integer, intent(in) :: num_freq @@ -245,7 +1279,6 @@ contains #ifdef MFC_MPI integer :: ierr !< Generic flag used to identify and report MPI errors - call MPI_BCAST(phi_rn, num_freq, mpi_p, 0, MPI_COMM_WORLD, ierr) #endif @@ -258,6 +1291,13 @@ contains if (ib) then @:DEALLOCATE(ib_buff_send, ib_buff_recv) end if + + if (particles_lagrange) then + @:DEALLOCATE(p_send_buff, p_recv_buff, p_send_ids) + @:DEALLOCATE(force_send_counts, force_recv_counts) + @:DEALLOCATE(force_send_ids, force_send_vals) + @:DEALLOCATE(flat_send_ids, flat_send_vals) + end if #endif end subroutine s_finalize_mpi_proxy_module diff --git a/src/simulation/m_particles_EL.fpp b/src/simulation/m_particles_EL.fpp new file mode 100644 index 0000000000..5dfed3af01 --- /dev/null +++ b/src/simulation/m_particles_EL.fpp @@ -0,0 +1,2697 @@ +!> +!! @file m_particles_EL.fpp +!! @brief Contains module m_particles_EL + +#:include 'macros.fpp' + +!> @brief Euler-Lagrange solid particle solver with two-way coupling. +!! +!! Tracks non-deformable solid particles in compressible flow using Gaussian volume-averaging (Maeda & Colonius, J. Computational +!! Physics, 361, 2018). Supports multiple drag correlations, soft-sphere DEM collisions, pressure gradient and added mass forces. +!! Derived from the m_bubbles_EL module. Kernel functions are in m_particles_EL_kernels. +module m_particles_EL + + use m_global_parameters !< Definitions of the global parameters + use m_mpi_proxy !< Message passing interface (MPI) module proxy + use m_particles_EL_kernels !< Definitions of the kernel functions + use m_variables_conversion !< State variables type conversion procedures + use m_compile_specific + use m_boundary_common + use m_helper_basic !< Functions to compare floating point numbers + use m_sim_helpers + use m_helper + use m_mpi_common + use m_ibm + + implicit none + + real(wp) :: next_write_time + integer, allocatable, dimension(:,:) :: lag_part_id !< Global and local IDs + integer, allocatable, dimension(:) :: gid_to_local + real(wp), allocatable, dimension(:) :: particle_R0 !< Initial particle radius + real(wp), allocatable, dimension(:) :: Rmax_stats_part !< Maximum radius + real(wp), allocatable, dimension(:) :: Rmin_stats_part !< Minimum radius + $:GPU_DECLARE(create='[lag_part_id, gid_to_local, particle_R0, Rmax_stats_part, Rmin_stats_part]') + + real(wp), allocatable, dimension(:) :: particle_mass !< Particle Mass + $:GPU_DECLARE(create='[particle_mass]') + real(wp), allocatable, dimension(:) :: p_AM !< Particle Added Mass + $:GPU_DECLARE(create='[p_AM]') + + integer, allocatable, dimension(:) :: particle_seed !< Particle Seed for random number + $:GPU_DECLARE(create='[particle_seed]') + + integer, allocatable, dimension(:) :: p_owner_rank !< MPI rank that owns this particle + $:GPU_DECLARE(create='[p_owner_rank]') + + integer, allocatable, dimension(:) :: linked_list !< particle cell linked list + $:GPU_DECLARE(create='[linked_list]') + + integer, allocatable, dimension(:,:,:) :: particle_head !< particle heads at each cell + $:GPU_DECLARE(create='[particle_head]') + + ! Particle state arrays use dimensions (nParticles_glb, component, stage): component: 1=x, 2=y, 3=z for position/velocity stage: + ! 1=committed state at current time level, 2=intermediate RK stage value + + ! (nPart, 1 -> actual val or 2 -> temp val) + real(wp), allocatable, dimension(:,:) :: particle_rad !< Particle radius + $:GPU_DECLARE(create='[particle_rad]') + + ! (nPart, 1-> x or 2->y or 3 ->z, 1 -> actual or 2 -> temporal val) + real(wp), allocatable, dimension(:,:,:) :: particle_pos !< Particle's position + real(wp), allocatable, dimension(:,:,:) :: particle_posPrev !< Particle's previous position + real(wp), allocatable, dimension(:,:,:) :: particle_vel !< Particle's velocity + real(wp), allocatable, dimension(:,:,:) :: particle_s !< Particle's computational cell position in real format + $:GPU_DECLARE(create='[particle_pos, particle_posPrev, particle_vel, particle_s]') + ! (nPart, 1-> x or 2->y or 3 ->z, time-stage) + real(wp), allocatable, dimension(:,:) :: particle_draddt !< Time derivative of particle's radius + real(wp), allocatable, dimension(:,:,:) :: particle_dposdt !< Time derivative of the particle's position + real(wp), allocatable, dimension(:,:,:) :: particle_dveldt !< Time derivative of the particle's velocity + $:GPU_DECLARE(create='[particle_draddt, particle_dposdt, particle_dveldt]') + + integer, private :: lag_num_ts !< Number of time stages in the time-stepping scheme + $:GPU_DECLARE(create='[lag_num_ts]') + + real(wp) :: Rmax_glb, Rmin_glb !< Global maximum and minimum R/R0 ratio across all particles + !> Eulerian projection of particle data (volume fraction, momentum, sources) + type(scalar_field), dimension(:), allocatable :: q_particles + type(scalar_field), dimension(:), allocatable :: kahan_comp !< Kahan compensation for q_particles accumulation + integer :: q_particles_idx !< Size of the q vector field for particle cell (q)uantities + integer, parameter :: alphaf_id = 1 + integer, parameter :: alphaupx_id = 2 !< x particle momentum index + integer, parameter :: alphaupy_id = 3 !< y particle momentum index + integer, parameter :: alphaupz_id = 4 !< z particle momentum index + integer, parameter :: alphaup2x_id = 5 !< x particle velocity squared index + integer, parameter :: alphaup2y_id = 6 !< y particle velocity squared index + integer, parameter :: alphaup2z_id = 7 !< z particle velocity squared index + integer, parameter :: Smx_id = 8 + integer, parameter :: Smy_id = 9 + integer, parameter :: Smz_id = 10 + integer, parameter :: SE_id = 11 + + !> Interpolated Eulerian field gradients at particle locations + type(scalar_field), dimension(:), allocatable :: field_vars !< For cell quantities (field gradients, etc.) + integer, parameter :: dPx_id = 1 !< Spatial pressure gradient in x, y, and z + integer, parameter :: dPy_id = 2 + integer, parameter :: dPz_id = 3 + integer, parameter :: drhox_id = 4 !< Spatial density gradient in x, y, and z + integer, parameter :: drhoy_id = 5 + integer, parameter :: drhoz_id = 6 + integer, parameter :: dufxdx_id = 7 ! du_x/dx + integer, parameter :: dufxdy_id = 8 ! du_x/dy + integer, parameter :: dufxdz_id = 9 ! du_x/dz + integer, parameter :: dufydx_id = 10 ! du_y/dx + integer, parameter :: dufydy_id = 11 ! du_y/dy + integer, parameter :: dufydz_id = 12 ! du_y/dz + integer, parameter :: dufzdx_id = 13 ! du_z/dx + integer, parameter :: dufzdy_id = 14 ! du_z/dy + integer, parameter :: dufzdz_id = 15 ! du_z/dz + integer, parameter :: dalphafx_id = 16 !< Spatial fluid volume fraction gradient in x, y, and z + integer, parameter :: dalphafy_id = 17 + integer, parameter :: dalphafz_id = 18 + integer, parameter :: dalphap_upx_id = 19 !< Spatial particle momentum gradient in x, y, and z + integer, parameter :: dalphap_upy_id = 20 + integer, parameter :: dalphap_upz_id = 21 + integer, parameter :: nField_vars = 21 + + ! duidxj_id(i,j) gives the field_vars index for du_i/dx_j + integer, parameter :: duidxj_id(3, 3) = reshape([dufxdx_id, dufydx_id, dufzdx_id, dufxdy_id, dufydy_id, dufzdy_id, dufxdz_id, & + & dufydz_id, dufzdz_id], [3, 3]) + + type(scalar_field), dimension(:), allocatable :: rhs_old !< For previous rhs values + type(scalar_field), dimension(:), allocatable :: weights_x_interp !< For precomputing weights + type(scalar_field), dimension(:), allocatable :: weights_y_interp !< For precomputing weights + type(scalar_field), dimension(:), allocatable :: weights_z_interp !< For precomputing weights + integer :: nWeights_interp + type(scalar_field), dimension(:), allocatable :: weights_x_grad !< For precomputing weights + type(scalar_field), dimension(:), allocatable :: weights_y_grad !< For precomputing weights + type(scalar_field), dimension(:), allocatable :: weights_z_grad !< For precomputing weights + integer :: nWeights_grad + + $:GPU_DECLARE(create='[Rmax_glb, Rmin_glb, q_particles, kahan_comp, q_particles_idx, field_vars, rhs_old]') + $:GPU_DECLARE(create='[weights_x_interp, weights_y_interp, weights_z_interp, nWeights_interp]') + $:GPU_DECLARE(create='[weights_x_grad, weights_y_grad, weights_z_grad, nWeights_grad]') + + ! Particle Source terms for fluid coupling + real(wp), allocatable, dimension(:,:) :: f_p !< force on each particle + $:GPU_DECLARE(create='[f_p]') + + real(wp), allocatable, dimension(:,:) :: fqs_fluct !< QS fluctuation force on each particle + $:GPU_DECLARE(create='[fqs_fluct]') + + real(wp), allocatable, dimension(:) :: gSum !< gaussian sum for each particle + $:GPU_DECLARE(create='[gSum]') + + real(wp), allocatable, dimension(:) :: gSum_sources !< gaussian sum for each particle + $:GPU_DECLARE(create='[gSum_sources]') + + integer, allocatable :: force_recv_ids(:) !< ids of collision forces received from other ranks + real(wp), allocatable :: force_recv_vals(:) !< collision forces received from other ranks + $:GPU_DECLARE(create='[force_recv_ids, force_recv_vals]') + + integer, parameter :: LAG_EVOL_ID = 11 ! File id for lag_bubbles_evol_*.dat + integer, parameter :: LAG_STATS_ID = 12 ! File id for stats_lag_bubbles_*.dat + integer, parameter :: LAG_VOID_ID = 13 ! File id for voidfraction.dat + integer, allocatable, dimension(:) :: keep_bubble + integer, allocatable, dimension(:,:) :: wrap_bubble_loc, wrap_bubble_dir + $:GPU_DECLARE(create='[keep_bubble]') + $:GPU_DECLARE(create='[wrap_bubble_loc, wrap_bubble_dir]') + + integer :: error_flag ! Error flag for collisions + $:GPU_DECLARE(create='[error_flag]') + + integer, parameter :: ncc = 1 !< Number of collisions cells at boundaries + real(wp) :: eps_overlap = 1.e-12 + +contains + + !> Initializes the lagrangian subgrid particle solver + !! @param q_cons_vf Initial conservative variables + impure subroutine s_initialize_particles_EL_module(q_cons_vf, bc_type) + + type(scalar_field), dimension(sys_size), intent(inout) :: q_cons_vf + type(integer_field), dimension(1:num_dims,1:2), intent(in) :: bc_type + integer :: nParticles_glb, i, j, k, nf, l, npts + + ! PRIM TO CONS VARIABLES + real(wp) :: dyn_pres, pi_inf, qv, gamma, pres, T + real(wp) :: rhou, alpharhou, rho_f, alpharho + real(wp), dimension(3) :: fluid_vel + real(wp) :: rhoYks(1:num_species) + integer :: save_count + real(wp) :: qtime + integer :: ind_end_loc + + next_write_time = 0._wp + + if (cfl_dt) then + save_count = n_start + qtime = n_start*t_save + else + save_count = t_step_start + qtime = t_step_start*dt + end if + + pi_inf = 0._wp + qv = 0._wp + gamma = gammas(1) + + ! Setting number of time-stages for selected time-stepping scheme + lag_num_ts = time_stepper + + ! Allocate space for the Eulerian fields needed to map the effect of the particles + if (lag_params%solver_approach == 1) then + ! One-way coupling + q_particles_idx = 7 ! For tracking volume fraction, alpha_p u_p (x(2),y(3),z(4)), alpha_p u_p^2 (x(5),y(6),z(7)) + else if (lag_params%solver_approach == 2) then + ! Two-way coupling + q_particles_idx = 11 ! For tracking volume fraction(1), alpha_p u_p (x(2),y(3),z(4)), alpha_p u_p^2 (x(5),y(6),z(7)), x-mom(8), y-mom(9), z-mom(10), and energy(11) sources + else + call s_mpi_abort('Please check the lag_params%solver_approach input') + end if + + nWeights_interp = lag_params%interpolation_order + 1 + nWeights_grad = fd_order + 1 + + pcomm_coords(1)%beg = x_cb(-1) + pcomm_coords(1)%end = x_cb(m) + $:GPU_UPDATE(device='[pcomm_coords(1)]') + if (n > 0) then + pcomm_coords(2)%beg = y_cb(-1) + pcomm_coords(2)%end = y_cb(n) + $:GPU_UPDATE(device='[pcomm_coords(2)]') + if (p > 0) then + pcomm_coords(3)%beg = z_cb(-1) + pcomm_coords(3)%end = z_cb(p) + $:GPU_UPDATE(device='[pcomm_coords(3)]') + end if + end if + + pcomm_coords_ghost(1)%beg = x_cb(-1 + ncc) + pcomm_coords_ghost(1)%end = x_cb(m - ncc) + $:GPU_UPDATE(device='[pcomm_coords_ghost(1)]') + if (n > 0) then + pcomm_coords_ghost(2)%beg = y_cb(-1 + ncc) + pcomm_coords_ghost(2)%end = y_cb(n - ncc) + $:GPU_UPDATE(device='[pcomm_coords_ghost(2)]') + if (p > 0) then + pcomm_coords_ghost(3)%beg = z_cb(-1 + ncc) + pcomm_coords_ghost(3)%end = z_cb(p - ncc) + $:GPU_UPDATE(device='[pcomm_coords_ghost(3)]') + end if + end if + + $:GPU_UPDATE(device='[lag_num_ts, q_particles_idx]') + + @:ALLOCATE(q_particles(1:q_particles_idx)) + @:ALLOCATE(kahan_comp(1:q_particles_idx)) + do i = 1, q_particles_idx + @:ALLOCATE(q_particles(i)%sf(idwbuff(1)%beg:idwbuff(1)%end, idwbuff(2)%beg:idwbuff(2)%end, & + & idwbuff(3)%beg:idwbuff(3)%end)) + @:ACC_SETUP_SFs(q_particles(i)) + @:ALLOCATE(kahan_comp(i)%sf(idwbuff(1)%beg:idwbuff(1)%end, idwbuff(2)%beg:idwbuff(2)%end, & + & idwbuff(3)%beg:idwbuff(3)%end)) + @:ACC_SETUP_SFs(kahan_comp(i)) + end do + + @:ALLOCATE(field_vars(1:nField_vars)) + do i = 1, nField_vars + @:ALLOCATE(field_vars(i)%sf(idwbuff(1)%beg:idwbuff(1)%end, idwbuff(2)%beg:idwbuff(2)%end, & + & idwbuff(3)%beg:idwbuff(3)%end)) + @:ACC_SETUP_SFs(field_vars(i)) + end do + + @:ALLOCATE(rhs_old(1:sys_size)) + do i = 1, sys_size + @:ALLOCATE(rhs_old(i)%sf(idwint(1)%beg:idwint(1)%end, idwint(2)%beg:idwint(2)%end, idwint(3)%beg:idwint(3)%end)) + @:ACC_SETUP_SFs(rhs_old(i)) + end do + + @:ALLOCATE(weights_x_interp(1:nWeights_interp)) + do i = 1, nWeights_interp + @:ALLOCATE(weights_x_interp(i)%sf(idwbuff(1)%beg:idwbuff(1)%end,1:1,1:1)) + @:ACC_SETUP_SFs(weights_x_interp(i)) + end do + + @:ALLOCATE(weights_y_interp(1:nWeights_interp)) + do i = 1, nWeights_interp + @:ALLOCATE(weights_y_interp(i)%sf(idwbuff(2)%beg:idwbuff(2)%end,1:1,1:1)) + @:ACC_SETUP_SFs(weights_y_interp(i)) + end do + + @:ALLOCATE(weights_z_interp(1:nWeights_interp)) + do i = 1, nWeights_interp + @:ALLOCATE(weights_z_interp(i)%sf(idwbuff(3)%beg:idwbuff(3)%end,1:1,1:1)) + @:ACC_SETUP_SFs(weights_z_interp(i)) + end do + + @:ALLOCATE(weights_x_grad(1:nWeights_grad)) + do i = 1, nWeights_grad + @:ALLOCATE(weights_x_grad(i)%sf(idwbuff(1)%beg:idwbuff(1)%end,1:1,1:1)) + @:ACC_SETUP_SFs(weights_x_grad(i)) + end do + + @:ALLOCATE(weights_y_grad(1:nWeights_grad)) + do i = 1, nWeights_grad + @:ALLOCATE(weights_y_grad(i)%sf(idwbuff(2)%beg:idwbuff(2)%end,1:1,1:1)) + @:ACC_SETUP_SFs(weights_y_grad(i)) + end do + + @:ALLOCATE(weights_z_grad(1:nWeights_grad)) + do i = 1, nWeights_grad + @:ALLOCATE(weights_z_grad(i)%sf(idwbuff(3)%beg:idwbuff(3)%end,1:1,1:1)) + @:ACC_SETUP_SFs(weights_z_grad(i)) + end do + + ! Allocating space for lagrangian variables + nParticles_glb = lag_params%nParticles_glb + + @:ALLOCATE(lag_part_id(1:nParticles_glb, 1:2)) + @:ALLOCATE(gid_to_local(1:nParticles_glb)) + @:ALLOCATE(particle_R0(1:nParticles_glb)) + @:ALLOCATE(Rmax_stats_part(1:nParticles_glb)) + @:ALLOCATE(Rmin_stats_part(1:nParticles_glb)) + @:ALLOCATE(particle_mass(1:nParticles_glb)) + @:ALLOCATE(particle_seed(1:nParticles_glb)) + @:ALLOCATE(p_AM(1:nParticles_glb)) + @:ALLOCATE(p_owner_rank(1:nParticles_glb)) + @:ALLOCATE(particle_rad(1:nParticles_glb, 1:2)) + @:ALLOCATE(particle_pos(1:nParticles_glb, 1:3, 1:2)) + @:ALLOCATE(particle_posPrev(1:nParticles_glb, 1:3, 1:2)) + @:ALLOCATE(particle_vel(1:nParticles_glb, 1:3, 1:2)) + @:ALLOCATE(particle_s(1:nParticles_glb, 1:3, 1:2)) + @:ALLOCATE(particle_draddt(1:nParticles_glb, 1:lag_num_ts)) + @:ALLOCATE(particle_dposdt(1:nParticles_glb, 1:3, 1:lag_num_ts)) + @:ALLOCATE(particle_dveldt(1:nParticles_glb, 1:3, 1:lag_num_ts)) + @:ALLOCATE(f_p(1:nParticles_glb, 1:3)) + @:ALLOCATE(fqs_fluct(1:nParticles_glb, 1:3)) + @:ALLOCATE(gSum(1:nParticles_glb)) + @:ALLOCATE(gSum_sources(1:nParticles_glb)) + + @:ALLOCATE(linked_list(1:nParticles_glb)) + + @:ALLOCATE(particle_head(idwbuff(1)%beg:idwbuff(1)%end, idwbuff(2)%beg:idwbuff(2)%end, idwbuff(3)%beg:idwbuff(3)%end)) + + @:ALLOCATE(force_recv_ids(1:lag_params%nParticles_glb)) + @:ALLOCATE(force_recv_vals(1:3*lag_params%nParticles_glb)) + + @:ALLOCATE(keep_bubble(1:nParticles_glb)) + @:ALLOCATE(wrap_bubble_loc(1:nParticles_glb, 1:num_dims), wrap_bubble_dir(1:nParticles_glb, 1:num_dims)) + + if (adap_dt .and. f_is_default(adap_dt_tol)) adap_dt_tol = dflt_adap_dt_tol + + if (num_procs > 1) call s_initialize_solid_particles_mpi(lag_num_ts) + + ! Starting particles + if (lag_params%write_void_evol) call s_open_void_evol + if (lag_params%write_bubbles) call s_open_lag_bubble_evol() + if (lag_params%write_bubbles_stats) call s_open_lag_particle_stats() + + if (lag_params%vel_model > 0) then + moving_lag_particles = .true. + lag_pressure_force = lag_params%pressure_force + lag_gravity_force = lag_params%gravity_force + lag_vel_model = lag_params%vel_model + lag_drag_model = lag_params%drag_model + end if + + $:GPU_UPDATE(device='[moving_lag_particles, lag_pressure_force, lag_gravity_force, lag_vel_model, lag_drag_model]') + + call s_read_input_particles(q_cons_vf, bc_type) + + if (lag_params%qs_fluct_force) then + ind_end_loc = alphaup2z_id + else if (lag_params%solver_approach == 2) then + ind_end_loc = alphaupz_id + else + ind_end_loc = alphaf_id + end if + + call s_smear_field_contributions(bc_type, alphaf_id, ind_end_loc, .true.) + + if (lag_params%solver_approach == 2) then + call s_compute_gaussian_source_contribution() + end if + + npts = (nWeights_interp - 1)/2 + call s_compute_barycentric_weights(npts) ! For interpolation + + npts = (nWeights_grad - 1)/2 + call s_compute_fornberg_fd_weights(npts) ! For finite differences + + if (lag_params%solver_approach == 2) then + if (save_count == 0) then + !> Correcting initial conditions so they account for particles + $:GPU_PARALLEL_LOOP(private='[i, j, k, dyn_pres, fluid_vel, rho_f, alpharho, rhou, alpharhou]', collapse=3, & + & copyin = '[pi_inf, qv, gamma, rhoYks]') + do k = idwint(3)%beg, idwint(3)%end + do j = idwint(2)%beg, idwint(2)%end + do i = idwint(1)%beg, idwint(1)%end + !!!!!!!!! Mass + do l = 1, num_fluids ! num_fluid is just 1 right now + rho_f = q_cons_vf(l)%sf(i, j, k) + alpharho = q_particles(alphaf_id)%sf(i, j, k)*rho_f + q_cons_vf(l)%sf(i, j, k) = alpharho + end do + + !!!!!!!!! Momentum + dyn_pres = 0._wp + do l = momxb, momxe + fluid_vel(l - momxb + 1) = q_cons_vf(l)%sf(i, j, k)/rho_f + rhou = q_cons_vf(l)%sf(i, j, k) + alpharhou = q_particles(alphaf_id)%sf(i, j, k)*rhou + q_cons_vf(l)%sf(i, j, k) = alpharhou + dyn_pres = dyn_pres + q_cons_vf(l)%sf(i, j, k)*fluid_vel(l - momxb + 1)/2._wp + end do + + !!!!!!!!!Energy + call s_compute_pressure(q_cons_vf(E_idx)%sf(i, j, k), q_cons_vf(alf_idx)%sf(i, j, k), dyn_pres, & + & pi_inf, gamma, alpharho, qv, rhoYks, pres, T) + + q_cons_vf(E_idx)%sf(i, j, k) = gamma*pres + dyn_pres + pi_inf + qv ! Updating energy in cons + + do l = 1, sys_size + rhs_old(l)%sf(i, j, k) = 0._wp + end do + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + end if + end if + + end subroutine s_initialize_particles_EL_module + + !> Initialize particle data from input file or generate initial conditions + !! @param q_cons_vf Conservative variables + impure subroutine s_read_input_particles(q_cons_vf, bc_type) + + type(scalar_field), dimension(sys_size), intent(inout) :: q_cons_vf + type(integer_field), dimension(1:num_dims,1:2), intent(in) :: bc_type + real(wp), dimension(8) :: inputParticle + real(wp) :: qtime + integer :: id, particle_id, save_count + integer :: i, ios + logical :: file_exist, indomain + integer, dimension(3) :: cell + character(LEN=path_len + 2*name_len) :: path_D_dir + + ! Initialize number of particles + + particle_id = 0 + id = 0 + + ! Read the input lag_bubble file or restart point + if (cfl_dt) then + save_count = n_start + qtime = n_start*t_save + else + save_count = t_step_start + qtime = t_step_start*dt + end if + + if (save_count == 0) then + if (proc_rank == 0) print *, 'Reading lagrange particles input file.' + call my_inquire(trim(lag_params%input_path), file_exist) + if (file_exist) then + open (94, file=trim(lag_params%input_path), form='formatted', iostat=ios) + do while (ios == 0) + read (94, *, iostat=ios) (inputParticle(i), i=1, 8) + if (ios /= 0) cycle + indomain = particle_in_domain_physical(inputParticle(1:3)) + id = id + 1 + if (id > lag_params%nParticles_glb .and. proc_rank == 0) then + call s_mpi_abort("Current number of particles is larger than nParticles_glb") + end if + if (indomain) then + particle_id = particle_id + 1 + call s_add_particles(inputParticle, q_cons_vf, particle_id, id) + lag_part_id(particle_id, 1) = id ! global ID + lag_part_id(particle_id, 2) = particle_id ! local ID + n_el_particles_loc = particle_id ! local number of particles + end if + end do + close (94) + else + call s_mpi_abort("Initialize the lagrange particles in " // trim(lag_params%input_path)) + end if + else + if (proc_rank == 0) print *, 'Restarting lagrange particles at save_count: ', save_count + call s_restart_bubbles(particle_id, save_count) + end if + + print *, " Lagrange parrticles running, in proc", proc_rank, "number:", particle_id, "/", id + + if (num_procs > 1) then + call s_mpi_reduce_int_sum(n_el_particles_loc, n_el_particles_glb) + else + n_el_particles_glb = n_el_particles_loc + end if + + if (proc_rank == 0) then + if (n_el_particles_glb == 0) call s_mpi_abort('No particles in the domain. Check ' // trim(lag_params%input_path)) + end if + + $:GPU_UPDATE(device='[particles_lagrange, lag_params]') + + $:GPU_UPDATE(device='[lag_part_id, particle_R0, Rmax_stats_part, Rmin_stats_part, particle_mass, particle_seed, f_p, & + & fqs_fluct, p_AM, p_owner_rank, gid_to_local, particle_rad, particle_pos, particle_posPrev, particle_vel, & + & particle_s, particle_draddt, particle_dposdt, particle_dveldt, n_el_particles_loc]') + + Rmax_glb = min(dflt_real, -dflt_real) + Rmin_glb = max(dflt_real, -dflt_real) + $:GPU_UPDATE(device='[Rmax_glb, Rmin_glb]') + + $:GPU_UPDATE(device='[dx, dy, dz, x_cb, x_cc, y_cb, y_cc, z_cb, z_cc]') + + ! Populate temporal variables + call s_transfer_data_to_tmp_particles() + + if (save_count == 0) then + ! Create ./D directory + if (proc_rank == 0) then + write (path_D_dir, '(A,I0,A,I0)') trim(case_dir) // '/D' + call my_inquire(trim(path_D_dir), file_exist) + if (.not. file_exist) call s_create_directory(trim(path_D_dir)) + end if + call s_mpi_barrier() + call s_write_restart_lag_particles(save_count) ! Needed for post_processing + if (lag_params%write_void_evol) call s_write_void_evol_particles(qtime) + end if + + if (lag_params%write_bubbles) call s_write_lag_particle_evol(qtime) + + end subroutine s_read_input_particles + + !> The purpose of this procedure is to obtain the information of the particles when starting fresh + !! @param inputPart Particle information + !! @param q_cons_vf Conservative variables + !! @param part_id Local id of the particle + impure subroutine s_add_particles(inputPart, q_cons_vf, part_id, glb_part_id) + + type(scalar_field), dimension(sys_size), intent(in) :: q_cons_vf + real(wp), dimension(8), intent(in) :: inputPart + integer, intent(in) :: part_id, glb_part_id + integer :: i + real(wp) :: pliq, volparticle, concvap, totalmass, kparticle, cpparticle + real(wp) :: omegaN_local, PeG, PeT, rhol, pcrit, qv, gamma, pi_inf, dynP + integer, dimension(3) :: cell + real(wp), dimension(2) :: Re + real(wp) :: massflag, heatflag, Re_trans, Im_trans, myR, func_sum + real(wp), dimension(3) :: myPos, myVel + + massflag = 0._wp + heatflag = 0._wp + if (lag_params%massTransfer_model) massflag = 1._wp + if (lag_params%heatTransfer_model) heatflag = 1._wp + + particle_R0(part_id) = inputPart(7) + Rmax_stats_part(part_id) = min(dflt_real, -dflt_real) + Rmin_stats_part(part_id) = max(dflt_real, -dflt_real) + particle_rad(part_id, 1) = inputPart(7) + particle_pos(part_id,1:3,1) = inputPart(1:3) + particle_posPrev(part_id,1:3,1) = particle_pos(part_id,1:3,1) + particle_vel(part_id,1:3,1) = inputPart(4:6) + + ! Initialize Particle Sources + f_p(part_id,1:3) = 0._wp + fqs_fluct(part_id,1:3) = 0._wp + p_AM(part_id) = 0._wp + p_owner_rank(part_id) = proc_rank + gid_to_local(part_id) = -1 + + if (cyl_coord .and. p == 0) then + particle_pos(part_id, 2, 1) = sqrt(particle_pos(part_id, 2, 1)**2._wp + particle_pos(part_id, 3, 1)**2._wp) + ! Storing azimuthal angle (-Pi to Pi)) into the third coordinate variable + particle_pos(part_id, 3, 1) = atan2(inputPart(3), inputPart(2)) + particle_posPrev(part_id,1:3,1) = particle_pos(part_id,1:3,1) + end if + + cell = fd_number - buff_size + call s_locate_cell(particle_pos(part_id,1:3,1), cell, particle_s(part_id,1:3,1)) + + ! Check if the particle is located in the ghost cell of a symmetric, or wall boundary + if ((any(bc_x%beg == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, & + & BC_NO_SLIP_WALL/)) .and. cell(1) < 0) .or. (any(bc_x%end == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, & + & BC_NO_SLIP_WALL/)) .and. cell(1) > m) .or. (any(bc_y%beg == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, & + & BC_NO_SLIP_WALL/)) .and. cell(2) < 0) .or. (any(bc_y%end == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, & + & BC_NO_SLIP_WALL/)) .and. cell(2) > n)) then + call s_mpi_abort("Lagrange particle is in the ghost cells of a symmetric or wall boundary.") + end if + + if (p > 0) then + if ((any(bc_z%beg == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, & + & BC_NO_SLIP_WALL/)) .and. cell(3) < 0) .or. (any(bc_z%end == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, & + & BC_NO_SLIP_WALL/)) .and. cell(3) > p)) then + call s_mpi_abort("Lagrange particle is in the ghost cells of a symmetric or wall boundary.") + end if + end if + + ! Initial particle mass + volparticle = 4._wp/3._wp*pi*particle_R0(part_id)**3 ! volume + particle_mass(part_id) = volparticle*rho0ref_particle ! mass + if (particle_mass(part_id) <= 0._wp) then + call s_mpi_abort("The initial particle mass is negative or zero. Check the particle file.") + end if + + particle_seed(part_id) = glb_part_id*1103515245 + 12345 + + end subroutine s_add_particles + + !> Read particle data from a restart checkpoint + !! @param part_id Local ID of the particle + !! @param save_count File identifier + impure subroutine s_restart_bubbles(part_id, save_count) + + integer, intent(inout) :: part_id, save_count + character(LEN=path_len + 2*name_len) :: file_loc + real(wp) :: file_time, file_dt + integer :: file_num_procs, file_tot_part, tot_part + +#ifndef MFC_MPI + @:PROHIBIT(.true., "Lagrangian particle restart requires MPI (--mpi)") +#else + real(wp), dimension(20) :: inputvals + integer, dimension(MPI_STATUS_SIZE) :: status + integer(kind=MPI_OFFSET_KIND) :: disp + integer :: view + integer, dimension(3) :: cell + logical :: indomain, particle_file, file_exist + integer, dimension(2) :: gsizes, lsizes, start_idx_part + integer :: ifile, ierr, tot_data, id + integer :: i + integer, dimension(:), allocatable :: proc_particle_counts + real(wp), dimension(1:1,1:lag_io_vars) :: dummy + dummy = 0._wp + + ! Construct file path + write (file_loc, '(A,I0,A)') 'lag_bubbles_', save_count, '.dat' + file_loc = trim(case_dir) // '/restart_data' // trim(mpiiofs) // trim(file_loc) + + ! Check if file exists + inquire (FILE=trim(file_loc), EXIST=file_exist) + if (.not. file_exist) then + call s_mpi_abort('Restart file ' // trim(file_loc) // ' does not exist!') + end if + + if (.not. parallel_io) return + + if (proc_rank == 0) then + call MPI_FILE_OPEN(MPI_COMM_SELF, file_loc, MPI_MODE_RDONLY, mpi_info_int, ifile, ierr) + + call MPI_FILE_READ(ifile, file_tot_part, 1, MPI_INTEGER, status, ierr) + call MPI_FILE_READ(ifile, file_time, 1, mpi_p, status, ierr) + call MPI_FILE_READ(ifile, file_dt, 1, mpi_p, status, ierr) + call MPI_FILE_READ(ifile, file_num_procs, 1, MPI_INTEGER, status, ierr) + + call MPI_FILE_CLOSE(ifile, ierr) + end if + + call MPI_BCAST(file_tot_part, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr) + call MPI_BCAST(file_time, 1, mpi_p, 0, MPI_COMM_WORLD, ierr) + call MPI_BCAST(file_dt, 1, mpi_p, 0, MPI_COMM_WORLD, ierr) + call MPI_BCAST(file_num_procs, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr) + + allocate (proc_particle_counts(file_num_procs)) + + if (proc_rank == 0) then + call MPI_FILE_OPEN(MPI_COMM_SELF, file_loc, MPI_MODE_RDONLY, mpi_info_int, ifile, ierr) + + ! Skip to processor counts position + disp = int(sizeof(file_tot_part) + 2*sizeof(file_time) + sizeof(file_num_procs), MPI_OFFSET_KIND) + call MPI_FILE_SEEK(ifile, disp, MPI_SEEK_SET, ierr) + call MPI_FILE_READ(ifile, proc_particle_counts, file_num_procs, MPI_INTEGER, status, ierr) + + call MPI_FILE_CLOSE(ifile, ierr) + end if + + call MPI_BCAST(proc_particle_counts, file_num_procs, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr) + + ! Set time variables from file + mytime = file_time + dt = file_dt + + part_id = proc_particle_counts(proc_rank + 1) + + start_idx_part(1) = 0 + do i = 1, proc_rank + start_idx_part(1) = start_idx_part(1) + proc_particle_counts(i) + end do + + start_idx_part(2) = 0 + lsizes(1) = part_id + lsizes(2) = lag_io_vars + + gsizes(1) = file_tot_part + gsizes(2) = lag_io_vars + + if (part_id > 0) then + allocate (MPI_IO_DATA_lag_bubbles(part_id,1:lag_io_vars)) + + call MPI_TYPE_CREATE_SUBARRAY(2, gsizes, lsizes, start_idx_part, MPI_ORDER_FORTRAN, mpi_p, view, ierr) + call MPI_TYPE_COMMIT(view, ierr) + + call MPI_FILE_OPEN(MPI_COMM_WORLD, file_loc, MPI_MODE_RDONLY, mpi_info_int, ifile, ierr) + + ! Skip extended header + disp = int(sizeof(file_tot_part) + 2*sizeof(file_time) + sizeof(file_num_procs) & + & + file_num_procs*sizeof(proc_particle_counts(1)), MPI_OFFSET_KIND) + call MPI_FILE_SET_VIEW(ifile, disp, mpi_p, view, 'native', mpi_info_int, ierr) + + call MPI_FILE_READ_ALL(ifile, MPI_IO_DATA_lag_bubbles, lag_io_vars*part_id, mpi_p, status, ierr) + + call MPI_FILE_CLOSE(ifile, ierr) + call MPI_TYPE_FREE(view, ierr) + + n_el_particles_loc = part_id + + do i = 1, part_id + lag_part_id(i, 1) = int(MPI_IO_DATA_lag_bubbles(i, 1)) + particle_pos(i,1:3,1) = MPI_IO_DATA_lag_bubbles(i,2:4) + particle_posPrev(i,1:3,1) = MPI_IO_DATA_lag_bubbles(i,5:7) + particle_vel(i,1:3,1) = MPI_IO_DATA_lag_bubbles(i,8:10) + particle_rad(i, 1) = MPI_IO_DATA_lag_bubbles(i, 11) + particle_R0(i) = MPI_IO_DATA_lag_bubbles(i, 13) + Rmax_stats_part(i) = MPI_IO_DATA_lag_bubbles(i, 14) + Rmin_stats_part(i) = MPI_IO_DATA_lag_bubbles(i, 15) + particle_mass(i) = MPI_IO_DATA_lag_bubbles(i, 19) + cell = -buff_size + call s_locate_cell(particle_pos(i,1:3,1), cell, particle_s(i,1:3,1)) + end do + + deallocate (MPI_IO_DATA_lag_bubbles) + else + n_el_particles_loc = 0 + + call MPI_TYPE_CONTIGUOUS(0, mpi_p, view, ierr) + call MPI_TYPE_COMMIT(view, ierr) + + call MPI_FILE_OPEN(MPI_COMM_WORLD, file_loc, MPI_MODE_RDONLY, mpi_info_int, ifile, ierr) + + ! Skip extended header + disp = int(sizeof(file_tot_part) + 2*sizeof(file_time) + sizeof(file_num_procs) & + & + file_num_procs*sizeof(proc_particle_counts(1)), MPI_OFFSET_KIND) + call MPI_FILE_SET_VIEW(ifile, disp, mpi_p, view, 'native', mpi_info_int, ierr) + + call MPI_FILE_READ_ALL(ifile, dummy, 0, mpi_p, status, ierr) + + call MPI_FILE_CLOSE(ifile, ierr) + call MPI_TYPE_FREE(view, ierr) + end if + + if (proc_rank == 0) then + write (*, '(A,I0,A,I0)') 'Read ', file_tot_part, ' particles from restart file at t_step = ', save_count + write (*, '(A,E15.7,A,E15.7)') 'Restart time = ', mytime, ', dt = ', dt + end if + + deallocate (proc_particle_counts) +#endif + + end subroutine s_restart_bubbles + + !> Contains the particle dynamics subroutines. + !! @param q_cons_vf Conservative variables + !! @param q_prim_vf Primitive variables + !! @param rhs_vf Calculated change of conservative variables + !! @param t_step Current time step + !! @param stage Current stage in the time-stepper algorithm + subroutine s_compute_particle_EL_dynamics(q_cons_vf, q_prim_vf, bc_type, stage, vL_x, vL_y, vL_z, vR_x, vR_y, vR_z, rhs_vf) + + type(scalar_field), dimension(sys_size), intent(in) :: q_cons_vf + type(scalar_field), dimension(sys_size), intent(in) :: q_prim_vf + type(integer_field), dimension(1:num_dims,1:2), intent(in) :: bc_type + type(scalar_field), dimension(sys_size), intent(in) :: rhs_vf + integer, intent(in) :: stage + real(wp), dimension(idwbuff(1)%beg:,idwbuff(2)%beg:,idwbuff(3)%beg:,1:), intent(inout) :: vL_x, vL_y, vL_z + real(wp), dimension(idwbuff(1)%beg:,idwbuff(2)%beg:,idwbuff(3)%beg:,1:), intent(inout) :: vR_x, vR_y, vR_z + integer, dimension(3) :: cell + real(wp) :: myMass, myR, myBeta_c, myBeta_t, myR0, myRe, myGamma, rmass_add, func_sum, func_sum_sources + real(wp), dimension(3) :: myVel, myPos, force_vec, s_cell, myForce, my_fqs_fluct, new_fqs_fluct + integer :: mySeed, new_seed + integer :: k, l, i, j, dir + + if (lag_params%pressure_force .or. lag_params%added_mass_model > 0) then + do l = 1, num_dims + if (l == 1) then + call s_gradient_field(vL_x, vR_x, field_vars(dPx_id)%sf, l, E_idx) + do dir = 1, num_dims + call s_gradient_field(vL_x, vR_x, field_vars(duidxj_id(dir, l))%sf, l, momxb + dir - 1) + end do + else if (l == 2) then + call s_gradient_field(vL_y, vR_y, field_vars(dPy_id)%sf, l, E_idx) + do dir = 1, num_dims + call s_gradient_field(vL_y, vR_y, field_vars(duidxj_id(dir, l))%sf, l, momxb + dir - 1) + end do + else if (l == 3) then + call s_gradient_field(vL_z, vR_z, field_vars(dPz_id)%sf, l, E_idx) + do dir = 1, num_dims + call s_gradient_field(vL_z, vR_z, field_vars(duidxj_id(dir, l))%sf, l, momxb + dir - 1) + end do + end if + end do + end if + + if (lag_params%added_mass_model > 0) then + do l = 1, num_dims + if (l == 1) then + call s_gradient_field(vL_x, vR_x, field_vars(drhox_id)%sf, l, 1) + else if (l == 2) then + call s_gradient_field(vL_y, vR_y, field_vars(drhoy_id)%sf, l, 1) + else if (l == 3) then + call s_gradient_field(vL_z, vR_z, field_vars(drhoz_id)%sf, l, 1) + end if + end do + end if + + myGamma = (1._wp/fluid_pp(1)%gamma) + 1._wp + if (viscous) then + myRe = 1._wp/fluid_pp(1)%Re(1) + else + ! TODO: Wire to a fluid parameter for non-air flows + myRe = lag_params%mu_ref + end if + + call nvtxStartRange("LAGRANGE-PARTICLE-DYNAMICS") + + !> Compute Fluid-Particle Forces (drag/pressure/added mass) and convert to particle acceleration + $:GPU_PARALLEL_LOOP(private='[i, k, l, cell, s_cell, myMass, myR, myR0, myPos, myVel, mySeed, my_fqs_fluct, & + & new_fqs_fluct, force_vec, rmass_add, func_sum, new_seed]', copyin='[stage, myGamma, myRe]') + do k = 1, n_el_particles_loc + f_p(k,:) = 0._wp + p_owner_rank(k) = proc_rank + + s_cell = particle_s(k,1:3,2) + cell = int(s_cell(:)) + do i = 1, num_dims + if (s_cell(i) < 0._wp) cell(i) = cell(i) - 1 + end do + + ! Current particle state + myMass = particle_mass(k) + myR = particle_rad(k, 2) + myR0 = particle_R0(k) + myPos = particle_pos(k,:,2) + myVel = particle_vel(k,:,2) + + mySeed = particle_seed(k) + my_fqs_fluct = fqs_fluct(k,:) + + particle_dposdt(k,:,stage) = 0._wp + particle_dveldt(k,:,stage) = 0._wp + particle_draddt(k, stage) = 0._wp + + call s_get_particle_force(myPos, myR, myVel, myMass, myRe, myGamma, mySeed, my_fqs_fluct, cell, q_prim_vf, q_cons_vf, & + & q_particles, field_vars, rhs_old, duidxj_id, weights_x_interp, weights_y_interp, & + & weights_z_interp, force_vec, rmass_add, new_seed, new_fqs_fluct) + + p_AM(k) = rMass_add + f_p(k,:) = f_p(k,:) + force_vec(:) + + if (lag_params%qs_fluct_force) then + particle_seed(k) = new_seed + fqs_fluct(k,:) = new_fqs_fluct + end if + + if (.not. lag_params%collision_force) then + myMass = particle_mass(k) + p_AM(k) + myVel = particle_vel(k,:,2) + do l = 1, num_dims + particle_dposdt(k, l, stage) = myVel(l) + particle_dveldt(k, l, stage) = f_p(k, l)/myMass + particle_draddt(k, stage) = 0._wp + end do + end if + end do + $:END_GPU_PARALLEL_LOOP() + + if (lag_params%solver_approach == 2) then + call s_smear_field_contributions(bc_type, Smx_id, SE_id, .false.) + end if + + call nvtxStartRange("LAGRANGE-PARTICLE-COLLISIONS") + if (lag_params%collision_force) then + !> Compute Particle-Particle collision forces + call s_compute_particle_EL_collisions(stage, bc_type) + + $:GPU_PARALLEL_LOOP(private='[k, l, myMass, myVel]') + do k = 1, n_el_particles_loc + myMass = particle_mass(k) + p_AM(k) + myVel = particle_vel(k,:,2) + do l = 1, num_dims + particle_dposdt(k, l, stage) = myVel(l) + particle_dveldt(k, l, stage) = f_p(k, l)/myMass + particle_draddt(k, stage) = 0._wp + end do + end do + $:END_GPU_PARALLEL_LOOP() + end if + call nvtxEndRange + + call nvtxEndRange + + end subroutine s_compute_particle_EL_dynamics + + subroutine s_smear_field_contributions(bc_type, ind_start, ind_end, recompute_gSum) + + type(integer_field), dimension(1:num_dims,1:2), intent(in) :: bc_type + integer, intent(in) :: ind_start, ind_end + logical, intent(in) :: recompute_gSum + integer :: i, j, k, l, nVar + real(wp) :: myR, func_sum, func_sum_sources, func_sum_sources_dummy + real(wp), dimension(3) :: myVel, myPos, s_cell, myForce + integer, dimension(3) :: cell + integer, dimension(:), allocatable :: vars_send + + nVar = ind_end - ind_start + 1 + allocate (vars_send(nVar)) + + do i = 1, nVar + vars_send(i) = ind_start + (i - 1) + end do + + $:GPU_PARALLEL_LOOP(private='[i, j, k, l]', collapse=4) + do i = ind_start, ind_end + do l = idwbuff(3)%beg, idwbuff(3)%end + do k = idwbuff(2)%beg, idwbuff(2)%end + do j = idwbuff(1)%beg, idwbuff(1)%end + if (i <= q_particles_idx) then + q_particles(i)%sf(j, k, l) = 0._wp + kahan_comp(i)%sf(j, k, l) = 0._wp + end if + end do + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + + $:GPU_PARALLEL_LOOP(private='[i, k, cell, s_cell, myR, myPos, myVel, myForce, func_sum, func_sum_sources_dummy]') + do k = 1, n_el_particles_loc + myR = particle_rad(k, 2) + myPos = particle_pos(k,1:3,2) + myVel = particle_vel(k,1:3,2) + myForce = f_p(k,:) + + if (recompute_gSum) then + cell = fd_number - buff_size + call s_locate_cell(particle_pos(k,1:3,2), cell, particle_s(k,1:3,2)) + + ! Compute the total gaussian contribution for each particle for normalization + call s_compute_gaussian_contribution(myR, myPos, cell, func_sum, func_sum_sources_dummy, q_particles) + gSum(k) = func_sum + else + s_cell = particle_s(k,1:3,2) + cell = int(s_cell(:)) + do i = 1, num_dims + if (s_cell(i) < 0._wp) cell(i) = cell(i) - 1 + end do + func_sum = gSum(k) + func_sum_sources = gSum_sources(k) + end if + + call s_gaussian_atomic(myR, myVel, myPos, myForce, func_sum, func_sum_sources, cell, q_particles, kahan_comp, & + & ind_start, ind_end) + end do + + call nvtxStartRange("PARTICLES-LAGRANGE-BETA-COMM") + call s_populate_beta_buffers(q_particles, kahan_comp, bc_type, nVar, vars_send) + call nvtxEndRange + + if (alphaf_id >= ind_start .and. alphaf_id <= ind_end) then + ! Store 1-q_particles(1) + $:GPU_PARALLEL_LOOP(private='[j, k, l]', collapse=3) + do l = idwbuff(3)%beg, idwbuff(3)%end + do k = idwbuff(2)%beg, idwbuff(2)%end + do j = idwbuff(1)%beg, idwbuff(1)%end + q_particles(alphaf_id)%sf(j, k, l) = 1._wp - q_particles(alphaf_id)%sf(j, k, l) + ! Limiting void fraction given max value + q_particles(alphaf_id)%sf(j, k, l) = max(q_particles(alphaf_id)%sf(j, k, l), 1._wp - lag_params%valmaxvoid) + end do + end do + end do + end if + + !!!!!!!!!!!!!!!!!!! + + end subroutine s_smear_field_contributions + + !> Compute inter-particle collision forces using a soft-sphere DEM model. Uses a cell-based linked list for O(N) neighbor + !! search. The contact force model is a spring-dashpot (Hertzian stiffness with viscous damping). + subroutine s_compute_particle_EL_collisions(stage, bc_type) + + integer, intent(in) :: stage + type(integer_field), dimension(1:num_dims,1:2), intent(in) :: bc_type + integer, dimension(3) :: cell + real(wp), dimension(3) :: s_cell + integer, dimension(3) :: cellaux + integer :: i, k, l, q, ip, jp, kp, ii, jj, kk + logical :: celloutside + real(wp) :: pidtksp2, pidtksp2_wall, ksp, ksp_wall, nu1, nu2, Rp1, Rp2, E1, E2, Estar, cor, rmag, Rstar, dij, eta_n, & + & kappa_n, rmult, mp1, mp2, dt_loc + real(wp), dimension(3) :: xp1, xp2, vp1, vp2, v_rel, rpij, nij, vnij, Fnpp_ij, force_vec + integer :: kpz + integer :: total_recv + integer :: glb_id, count + integer :: n_el_particles_loc_before_ghost + + if (num_procs > 1) then + n_el_particles_loc_before_ghost = n_el_particles_loc + call s_add_ghost_particles() + end if + + kpz = 0 + if (num_dims == 3) kpz = ncc + + ksp = particle_pp%ksp_col ! Spring stiffness multiplier + ksp_wall = ksp ! Spring stiffness multiplier for wall collision + nu1 = particle_pp%nu_col ! Poisson's ratio, particle 1 (glass/steel-like) + nu2 = nu1 ! Poisson's ratio, particle 2 + E1 = particle_pp%E_col ! Young's modulus [Pa], particle 1 + E2 = E1 ! Young's modulus [Pa], particle 2 + cor = particle_pp%cor_col ! Coefficient of restitution + + pidtksp2 = (pi**2)/((dt*ksp)**2) + pidtksp2_wall = (pi**2)/((dt*ksp_wall)**2) + + Estar = 1._wp/(((1._wp - nu1**2)/E1) + ((1._wp - nu2**2)/E2)) + Estar = (4._wp/3._wp)*Estar + + call s_reset_linked_list() + + call nvtxStartRange("LAGRANGE-PARTICLE-COLLISIONS") + error_flag = 0 + $:GPU_UPDATE(device='[error_flag]') + + $:GPU_PARALLEL_LOOP(private='[i, k, cell, ip, jp, kp, Rp1, xp1, mp1, vp1, kk, jj, ii, cellaux, q, Rp2, xp2, mp2, vp2, & + & v_rel, Rstar, rpij, rmag, nij, vnij, dij, kappa_n, rmult, eta_n, Fnpp_ij, force_vec, s_cell, & + & celloutside, count]', copyin='[ksp, nu1, nu2, E1, E2, cor, pidtksp2, pidtksp2_wall, Estar, kpz]') + do k = 1, n_el_particles_loc + if (p_owner_rank(k) /= proc_rank) then + cycle + end if + + s_cell = particle_s(k,1:3,2) + cell = int(s_cell(:)) + do i = 1, num_dims + if (s_cell(i) < 0._wp) cell(i) = cell(i) - 1 + end do + + ip = cell(1) + jp = cell(2) + kp = cell(3) + + Rp1 = particle_rad(k, 2) + xp1 = particle_pos(k,:,2) + mp1 = particle_mass(k) + vp1 = particle_vel(k,:,2) + + do kk = kp - kpz, kp + kpz + do jj = jp - ncc, jp + ncc + do ii = ip - ncc, ip + ncc + cellaux(1) = ii + cellaux(2) = jj + cellaux(3) = kk + + call s_check_celloutside_wbuff(cellaux, celloutside) + + if (.not. celloutside) then + q = particle_head(ii, jj, kk) + ! Traverse linked list in that cell + + count = 0 + do while (q /= -1) + count = count + 1 + if (count > n_el_particles_loc) then + $:GPU_ATOMIC(atomic='write') + error_flag = 1 + exit + end if + + if (q /= k) then + Rp2 = particle_rad(q, 2) + xp2 = particle_pos(q,:,2) + mp2 = particle_mass(q) + vp2 = particle_vel(q,:,2) + v_rel = vp2 - vp1 + + Rstar = (Rp1*Rp2)/(Rp1 + Rp2) + rpij = xp2 - xp1 + rmag = sqrt(rpij(1)**2 + rpij(2)**2 + rpij(3)**2) + rmag = max(rmag, eps_overlap) + nij = rpij/rmag + vnij = dot_product(v_rel, nij)*nij + dij = (Rp1 + Rp2) - rmag + + if (dij > 0._wp) then + kappa_n = min((pidtksp2*mp1), (Estar*sqrt(Rstar)*sqrt(abs(dij)))) + + rmult = (mp1*mp2)/(mp1 + mp2) + eta_n = ((-2._wp*sqrt(kappa_n)*log(cor))/sqrt((log(cor))**2 + pi**2))*sqrt(rmult) + + Fnpp_ij = -kappa_n*dij*nij - eta_n*vnij + + f_p(k,:) = f_p(k,:) + Fnpp_ij + end if + end if + + q = linked_list(q) + end do + end if + end do + end do + end do + + !> Check each local particle for wall collisions + + call s_compute_wall_collisions(xp1, vp1, Rp1, mp1, Estar, pidtksp2_wall, cor, force_vec) + f_p(k,:) = f_p(k,:) + force_vec + end do + $:END_GPU_PARALLEL_LOOP() + + call nvtxEndRange + + $:GPU_UPDATE(host='[error_flag]') + if (error_flag == 1) then + call s_mpi_abort("Linked list infinite loop detected") + end if + + if (num_procs > 1) then + n_el_particles_loc = n_el_particles_loc_before_ghost + $:GPU_UPDATE(device='[n_el_particles_loc]') + end if + + end subroutine s_compute_particle_EL_collisions + + !> This subroutine checks for particles at solid walls to compute a collision force + subroutine s_compute_wall_collisions(pos, vel, rad, mass, Es, pidtksp, core, wcol_force) + + $:GPU_ROUTINE(function_name='s_compute_wall_collisions',parallelism='[seq]', cray_inline=True) + + real(wp), dimension(3), intent(in) :: pos, vel + real(wp), intent(in) :: rad, mass, Es, pidtksp, core + real(wp), dimension(3), intent(inout) :: wcol_force + real(wp) :: dij + + wcol_force = 0._wp + + ! Check for particles at solid boundaries + if (any(bc_x%beg == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, BC_NO_SLIP_WALL/))) then + dij = rad - (pos(1) - x_cb(-1)) + + if (dij > 0._wp) then + call s_compute_wall_collision_force(dij, vel, rad, mass, Es, pidtksp, core, 1, 1._wp, wcol_force) + end if + end if + + if (any(bc_x%end == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, BC_NO_SLIP_WALL/))) then + dij = rad - (x_cb(m) - pos(1)) + + if (dij > 0._wp) then + call s_compute_wall_collision_force(dij, vel, rad, mass, Es, pidtksp, core, 1, -1._wp, wcol_force) + end if + end if + + if (any(bc_y%beg == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, BC_NO_SLIP_WALL/))) then + dij = rad - (pos(2) - y_cb(-1)) + + if (dij > 0._wp) then + call s_compute_wall_collision_force(dij, vel, rad, mass, Es, pidtksp, core, 2, 1._wp, wcol_force) + end if + end if + + if (any(bc_y%end == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, BC_NO_SLIP_WALL/))) then + dij = rad - (y_cb(n) - pos(2)) + + if (dij > 0._wp) then + call s_compute_wall_collision_force(dij, vel, rad, mass, Es, pidtksp, core, 2, -1._wp, wcol_force) + end if + end if + + if (p > 0) then + if (any(bc_z%beg == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, BC_NO_SLIP_WALL/))) then + dij = rad - (pos(3) - z_cb(-1)) + + if (dij > 0._wp) then + call s_compute_wall_collision_force(dij, vel, rad, mass, Es, pidtksp, core, 3, 1._wp, wcol_force) + end if + end if + + if (any(bc_z%end == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, BC_NO_SLIP_WALL/))) then + dij = rad - (z_cb(p) - pos(3)) + + if (dij > 0._wp) then + call s_compute_wall_collision_force(dij, vel, rad, mass, Es, pidtksp, core, 3, -1._wp, wcol_force) + end if + end if + end if + + end subroutine s_compute_wall_collisions + + !> This subroutine computes the collision force with a solid wall + subroutine s_compute_wall_collision_force(dij, vel, rad, mass, Es, pidtksp, core, dir, normal, wcol_force) + + $:GPU_ROUTINE(function_name='s_compute_wall_collision_force',parallelism='[seq]', cray_inline=True) + + real(wp), dimension(3), intent(in) :: vel + real(wp), intent(in) :: dij, rad, mass, Es, pidtksp, core, normal + integer, intent(in) :: dir + real(wp), dimension(3), intent(inout) :: wcol_force + real(wp), dimension(3) :: nij, v_rel, vnij + real(wp) :: kappa_n, eta_n + + ! Normal points away from wall (into domain) + nij = 0._wp + nij(dir) = normal + + ! Relative velocity (wall has zero velocity) + v_rel = vel + vnij = dot_product(v_rel, nij)*nij + + ! Wall has infinite mass so use mp1 only + kappa_n = min((pidtksp*mass), (Es*sqrt(rad)*sqrt(abs(dij)))) + + eta_n = ((-2._wp*sqrt(kappa_n)*log(core))/sqrt((log(core))**2 + pi**2))*(1._wp/sqrt(1._wp/mass)) + + wcol_force = wcol_force + (kappa_n*dij*nij - eta_n*vnij) + + end subroutine s_compute_wall_collision_force + + !> This subroutine adds temporary ghost particles for collision purposes + subroutine s_add_ghost_particles() + + integer :: k, i, q + integer :: patch_id, newBubs + integer, dimension(3) :: cell + logical :: inc_ghost = .true. + + call nvtxStartRange("LAG-GHOSTADD") + call nvtxStartRange("LAG-GHOSTADD-DEV2HOST") + $:GPU_UPDATE(host='[p_owner_rank, particle_R0, Rmax_stats_part, Rmin_stats_part, particle_mass, particle_seed, f_p, & + & fqs_fluct, lag_part_id, particle_rad, particle_pos, particle_posPrev, particle_vel, particle_s, & + & particle_draddt, particle_dposdt, particle_dveldt, n_el_particles_loc, wrap_bubble_dir, wrap_bubble_loc]') + call nvtxEndRange + + ! Handle MPI transfer of particles going to another processor's local domain + if (num_procs > 1) then + call nvtxStartRange("LAG-GHOSTADD-TRANSFER-LIST") + call s_add_particles_to_transfer_list(n_el_particles_loc, particle_pos(:,:,2), particle_posPrev(:,:,2), inc_ghost) + call nvtxEndRange + + call nvtxStartRange("LAG-GHOSTADD-SENDRECV") + call s_mpi_sendrecv_solid_particles(p_owner_rank, particle_R0, Rmax_stats_part, Rmin_stats_part, particle_mass, & + & particle_seed, f_p, fqs_fluct, lag_part_id, particle_rad, particle_pos, & + & particle_posPrev, particle_vel, particle_s, particle_draddt, particle_dposdt, & + & particle_dveldt, lag_num_ts, n_el_particles_loc, 2) + + call nvtxEndRange + end if + + call nvtxStartRange("LAG-GHOSTADD-HOST2DEV") + $:GPU_UPDATE(device='[p_owner_rank, particle_R0, Rmax_stats_part, Rmin_stats_part, particle_mass, particle_seed, f_p, & + & fqs_fluct, lag_part_id, particle_rad, particle_pos, particle_posPrev, particle_vel, particle_s, & + & particle_draddt, particle_dposdt, particle_dveldt, n_el_particles_loc]') + call nvtxEndRange + + call nvtxEndRange ! LAG-GHOSTADD + + $:GPU_PARALLEL_LOOP(private='[k, cell]') + do k = 1, n_el_particles_loc + cell = fd_number - buff_size + call s_locate_cell(particle_pos(k,1:3,2), cell, particle_s(k,1:3,2)) + end do + $:END_GPU_PARALLEL_LOOP() + + end subroutine s_add_ghost_particles + + !> The purpose of this subroutine is to check if the current cell is outside the computational domain or not (including ghost + !! cells). + !! @param cellaux Tested cell to smear the particle effect in. + !! @param celloutside If true, then cellaux is outside the computational domain. + subroutine s_check_celloutside_wbuff(cellaux, celloutside) + + $:GPU_ROUTINE(function_name='s_check_celloutside_wbuff',parallelism='[seq]', cray_inline=True) + + integer, dimension(3), intent(inout) :: cellaux + logical, intent(out) :: celloutside + + celloutside = .false. + + if (num_dims == 2) then + if ((cellaux(1) < -buff_size) .or. (cellaux(2) < -buff_size)) then + celloutside = .true. + end if + + if ((cellaux(1) > m + buff_size) .or. (cellaux(2) > n + buff_size)) then + celloutside = .true. + end if + else + if ((cellaux(1) < -buff_size) .or. (cellaux(2) < -buff_size) .or. (cellaux(3) < -buff_size)) then + celloutside = .true. + end if + + if ((cellaux(1) > m + buff_size) .or. (cellaux(2) > n + buff_size) .or. (cellaux(3) > p + buff_size)) then + celloutside = .true. + end if + end if + + end subroutine s_check_celloutside_wbuff + + !> Compute particle source terms for two-way Euler-Lagrange coupling (Maeda & Colonius, 2018) + !! @param q_cons_vf Conservative variables + !! @param q_prim_vf Primitive variables + !! @param rhs_vf Time derivative of the conservative variables + subroutine s_compute_particles_EL_source(q_cons_vf, q_prim_vf, rhs_vf, stage) + + type(scalar_field), dimension(sys_size), intent(inout) :: q_cons_vf + type(scalar_field), dimension(sys_size), intent(inout) :: q_prim_vf + type(scalar_field), dimension(sys_size), intent(inout) :: rhs_vf + integer, intent(in) :: stage + integer :: i, j, k, l, nf + real(wp) :: dalphapdt, alpha_f, udot_gradalpha + + ! Spatial derivative of the fluid volume fraction and eulerian particle momentum fields. + + do l = 1, num_dims + call s_gradient_dir_fornberg(q_particles(alphaf_id)%sf, field_vars(dalphafx_id + l - 1)%sf, l) + call s_gradient_dir_fornberg(q_particles(alphaupx_id + l - 1)%sf, field_vars(dalphap_upx_id + l - 1)%sf, l) + end do + + !> Apply particle sources to the Eulerian RHS + $:GPU_PARALLEL_LOOP(private='[i, j, k, alpha_f, dalphapdt, udot_gradalpha]', collapse=3) + do k = idwint(3)%beg, idwint(3)%end + do j = idwint(2)%beg, idwint(2)%end + do i = idwint(1)%beg, idwint(1)%end + if (q_particles(alphaf_id)%sf(i, j, k) > (1._wp - lag_params%valmaxvoid)) then + alpha_f = q_particles(alphaf_id)%sf(i, j, k) + + dalphapdt = 0._wp + udot_gradalpha = 0._wp + do l = 1, num_dims + dalphapdt = dalphapdt + field_vars(dalphap_upx_id + l - 1)%sf(i, j, k) + udot_gradalpha = udot_gradalpha + q_prim_vf(momxb + l - 1)%sf(i, j, & + & k)*field_vars(dalphafx_id + l - 1)%sf(i, j, k) + end do + dalphapdt = -dalphapdt + ! Add any contribution to dalphapdt from particles growing or shrinking + + !> Step 1: Source terms for volume fraction corrections + ! cons_var/alpha_f * (dalpha_p/dt - u dot grad(alpha_f)) + do l = 1, E_idx + rhs_vf(l)%sf(i, j, k) = rhs_vf(l)%sf(i, j, k) + (q_cons_vf(l)%sf(i, j, & + & k)/alpha_f)*(dalphapdt - udot_gradalpha) + end do + + ! momentum term -1/alpha_f * (p*grad(alpha_f) - Tau^v dot grad(alpha_f)) !Viscous term not implemented + do l = 1, num_dims + rhs_vf(momxb + l - 1)%sf(i, j, k) = rhs_vf(momxb + l - 1)%sf(i, j, & + & k) - ((1._wp/alpha_f)*(q_prim_vf(E_idx)%sf(i, j, k)*field_vars(dalphafx_id + l - 1)%sf(i, j, & + & k))) + end do + + ! energy term -1/alpha_f * (p*u dot grad(alpha_f) - (Tau^v dot u) dot grad(alpha_f)) !Viscous term not + ! implemented + rhs_vf(E_idx)%sf(i, j, k) = rhs_vf(E_idx)%sf(i, j, k) - ((1._wp/alpha_f)*(q_prim_vf(E_idx)%sf(i, j, & + & k)*udot_gradalpha)) + + !> Step 2: Add the drag/pressure/added mass forces to the fluid + rhs_vf(momxb)%sf(i, j, k) = rhs_vf(momxb)%sf(i, j, k) + q_particles(Smx_id)%sf(i, j, k)*(1._wp/alpha_f) + rhs_vf(momxb + 1)%sf(i, j, k) = rhs_vf(momxb + 1)%sf(i, j, k) + q_particles(Smy_id)%sf(i, j, & + & k)*(1._wp/alpha_f) + + ! Energy source + rhs_vf(E_idx)%sf(i, j, k) = rhs_vf(E_idx)%sf(i, j, k) + (q_particles(Smx_id)%sf(i, j, & + & k)*q_prim_vf(momxb)%sf(i, j, k) + q_particles(Smy_id)%sf(i, j, k)*q_prim_vf(momxb + 1)%sf(i, j, & + & k) + q_particles(SE_id)%sf(i, j, k))*(1._wp/alpha_f) + + if (num_dims == 3) then + rhs_vf(momxb + 2)%sf(i, j, k) = rhs_vf(momxb + 2)%sf(i, j, k) + q_particles(Smz_id)%sf(i, j, & + & k)*(1._wp/alpha_f) + ! Energy source + rhs_vf(E_idx)%sf(i, j, k) = rhs_vf(E_idx)%sf(i, j, k) + (q_particles(Smz_id)%sf(i, j, & + & k)*q_prim_vf(momxb + 2)%sf(i, j, k))*(1._wp/alpha_f) + end if + + do l = 1, E_idx + rhs_old(l)%sf(i, j, k) = rhs_vf(l)%sf(i, j, k) + end do + end if + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + + end subroutine s_compute_particles_EL_source + + !> Reset and rebuild the cell-based linked list for particle-to-cell mapping + subroutine s_reset_linked_list() + + integer :: j, k, l + + $:GPU_PARALLEL_LOOP(private='[j, k, l]', collapse=3) + do l = idwbuff(3)%beg, idwbuff(3)%end + do k = idwbuff(2)%beg, idwbuff(2)%end + do j = idwbuff(1)%beg, idwbuff(1)%end + particle_head(j, k, l) = -1 + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + + $:GPU_PARALLEL_LOOP(private='[k]') + do k = 1, n_el_particles_loc + linked_list(k) = -1 + end do + $:END_GPU_PARALLEL_LOOP() + + call s_build_linked_list() + + end subroutine s_reset_linked_list + + !> Build a cell-based linked list for particle-to-cell mapping. particle_head(i,j,k) points to the first particle in cell + !! (i,j,k). linked_list(k) points to the next particle in the same cell (-1 = end). + subroutine s_build_linked_list() + + integer :: k, glb_id, i + integer, dimension(3) :: cell + real(wp), dimension(3) :: s_cell + logical :: celloutside + + $:GPU_PARALLEL_LOOP(private='[i, k, cell, s_cell, glb_id, celloutside]') + do k = 1, n_el_particles_loc + glb_id = lag_part_id(k, 1) + gid_to_local(glb_id) = k + + s_cell = particle_s(k,1:3,2) + cell = int(s_cell(:)) + do i = 1, num_dims + if (s_cell(i) < 0._wp) cell(i) = cell(i) - 1 + end do + + call s_check_celloutside_wbuff(cell, celloutside) + + if (.not. celloutside) then + !!!!! Particle linked list building + $:GPU_ATOMIC(atomic='capture') + linked_list(k) = particle_head(cell(1), cell(2), cell(3)) + particle_head(cell(1), cell(2), cell(3)) = k + $:END_GPU_ATOMIC_CAPTURE() + end if + end do + $:END_GPU_PARALLEL_LOOP() + + end subroutine s_build_linked_list + + !> This subroutine updates the Lagrange variables using the tvd RK time steppers. The time derivative of the particle variables + !! must be stored at every stage to avoid precision errors. + !! @param stage Current tvd RK stage + impure subroutine s_update_lagrange_particles_tdv_rk(q_prim_vf, bc_type, stage) + + type(scalar_field), dimension(sys_size), intent(in) :: q_prim_vf + type(integer_field), dimension(1:num_dims,1:2), intent(in) :: bc_type + integer, intent(in) :: stage + integer :: k + + if (time_stepper == 1) then ! 1st order TVD RK + + $:GPU_PARALLEL_LOOP(private='[k]') + do k = 1, n_el_particles_loc + ! u{1} = u{n} + dt * RHS{n} + particle_rad(k, 1) = particle_rad(k, 1) + dt*particle_draddt(k, 1) + if (moving_lag_particles) then + particle_posPrev(k,1:3,1) = particle_pos(k,1:3,1) + particle_pos(k,1:3,1) = particle_pos(k,1:3,1) + dt*particle_dposdt(k,1:3,1) + particle_vel(k,1:3,1) = particle_vel(k,1:3,1) + dt*particle_dveldt(k,1:3,1) + end if + end do + $:END_GPU_PARALLEL_LOOP() + + call s_transfer_data_to_tmp_particles() + if (moving_lag_particles) call s_enforce_EL_particles_boundary_conditions(q_prim_vf, stage, bc_type) + if (lag_params%write_void_evol) call s_write_void_evol_particles(mytime) + if (lag_params%write_bubbles_stats) call s_calculate_lag_particle_stats() + if (lag_params%write_bubbles) then + ! $:GPU_UPDATE(host='[gas_p,gas_mv,particle_rad,intfc_vel]') + $:GPU_UPDATE(host='[particle_rad]') + call s_write_lag_particle_evol(mytime) + end if + else if (time_stepper == 2) then ! 2nd order TVD RK + if (stage == 1) then + $:GPU_PARALLEL_LOOP(private='[k]') + do k = 1, n_el_particles_loc + ! u{1} = u{n} + dt * RHS{n} + particle_rad(k, 2) = particle_rad(k, 1) + dt*particle_draddt(k, 1) + if (moving_lag_particles) then + particle_posPrev(k,1:3,2) = particle_pos(k,1:3,1) + particle_pos(k,1:3,2) = particle_pos(k,1:3,1) + dt*particle_dposdt(k,1:3,1) + particle_vel(k,1:3,2) = particle_vel(k,1:3,1) + dt*particle_dveldt(k,1:3,1) + end if + end do + $:END_GPU_PARALLEL_LOOP() + + if (moving_lag_particles) call s_enforce_EL_particles_boundary_conditions(q_prim_vf, stage, bc_type) + else if (stage == 2) then + $:GPU_PARALLEL_LOOP(private='[k]') + do k = 1, n_el_particles_loc + ! u{1} = u{n} + (1/2) * dt * (RHS{n} + RHS{1}) + particle_rad(k, 1) = particle_rad(k, 1) + dt*(particle_draddt(k, 1) + particle_draddt(k, 2))/2._wp + if (moving_lag_particles) then + particle_posPrev(k,1:3,1) = particle_pos(k,1:3,2) + particle_pos(k,1:3,1) = particle_pos(k,1:3,1) + dt*(particle_dposdt(k,1:3,1) + particle_dposdt(k,1:3, & + & 2))/2._wp + particle_vel(k,1:3,1) = particle_vel(k,1:3,1) + dt*(particle_dveldt(k,1:3,1) + particle_dveldt(k,1:3, & + & 2))/2._wp + end if + end do + $:END_GPU_PARALLEL_LOOP() + + call s_transfer_data_to_tmp_particles() + if (moving_lag_particles) call s_enforce_EL_particles_boundary_conditions(q_prim_vf, stage, bc_type) + if (lag_params%write_void_evol) call s_write_void_evol_particles(mytime) + if (lag_params%write_bubbles_stats) call s_calculate_lag_particle_stats() + if (lag_params%write_bubbles) then + $:GPU_UPDATE(host='[particle_rad]') + call s_write_lag_particle_evol(mytime) + end if + end if + else if (time_stepper == 3) then ! 3rd order TVD RK + if (stage == 1) then + $:GPU_PARALLEL_LOOP(private='[k]') + do k = 1, n_el_particles_loc + ! u{1} = u{n} + dt * RHS{n} + particle_rad(k, 2) = particle_rad(k, 1) + dt*particle_draddt(k, 1) + if (moving_lag_particles) then + particle_posPrev(k,1:3,2) = particle_pos(k,1:3,1) + particle_pos(k,1:3,2) = particle_pos(k,1:3,1) + dt*particle_dposdt(k,1:3,1) + particle_vel(k,1:3,2) = particle_vel(k,1:3,1) + dt*particle_dveldt(k,1:3,1) + end if + end do + $:END_GPU_PARALLEL_LOOP() + + if (moving_lag_particles) call s_enforce_EL_particles_boundary_conditions(q_prim_vf, stage, bc_type) + else if (stage == 2) then + $:GPU_PARALLEL_LOOP(private='[k]') + do k = 1, n_el_particles_loc + ! u{2} = u{n} + (1/4) * dt * [RHS{n} + RHS{1}] + particle_rad(k, 2) = particle_rad(k, 1) + dt*(particle_draddt(k, 1) + particle_draddt(k, 2))/4._wp + if (moving_lag_particles) then + particle_posPrev(k,1:3,2) = particle_pos(k,1:3,2) + particle_pos(k,1:3,2) = particle_pos(k,1:3,1) + dt*(particle_dposdt(k,1:3,1) + particle_dposdt(k,1:3, & + & 2))/4._wp + particle_vel(k,1:3,2) = particle_vel(k,1:3,1) + dt*(particle_dveldt(k,1:3,1) + particle_dveldt(k,1:3, & + & 2))/4._wp + end if + end do + $:END_GPU_PARALLEL_LOOP() + + if (moving_lag_particles) call s_enforce_EL_particles_boundary_conditions(q_prim_vf, stage, bc_type) + else if (stage == 3) then + $:GPU_PARALLEL_LOOP(private='[k]') + do k = 1, n_el_particles_loc + ! u{n+1} = u{n} + (2/3) * dt * [(1/4)* RHS{n} + (1/4)* RHS{1} + RHS{2}] + particle_rad(k, 1) = particle_rad(k, 1) + (2._wp/3._wp)*dt*(particle_draddt(k, 1)/4._wp + particle_draddt(k, & + & 2)/4._wp + particle_draddt(k, 3)) + if (moving_lag_particles) then + particle_posPrev(k,1:3,1) = particle_pos(k,1:3,2) + particle_pos(k,1:3,1) = particle_pos(k,1:3,1) + (2._wp/3._wp)*dt*(particle_dposdt(k,1:3, & + & 1)/4._wp + particle_dposdt(k,1:3,2)/4._wp + particle_dposdt(k,1:3,3)) + particle_vel(k,1:3,1) = particle_vel(k,1:3,1) + (2._wp/3._wp)*dt*(particle_dveldt(k,1:3, & + & 1)/4._wp + particle_dveldt(k,1:3,2)/4._wp + particle_dveldt(k,1:3,3)) + end if + end do + $:END_GPU_PARALLEL_LOOP() + + call s_transfer_data_to_tmp_particles() + if (moving_lag_particles) call s_enforce_EL_particles_boundary_conditions(q_prim_vf, stage, bc_type) + if (lag_params%write_void_evol) call s_write_void_evol_particles(mytime) + if (lag_params%write_bubbles_stats) call s_calculate_lag_particle_stats() + if (lag_params%write_bubbles .and. mytime >= next_write_time) then + $:GPU_UPDATE(host='[particle_mass, particle_rad]') + call s_write_lag_particle_evol(mytime) + next_write_time = next_write_time + t_save + end if + end if + end if + + end subroutine s_update_lagrange_particles_tdv_rk + + !> Enforce boundary conditions on Lagrangian particles. Phases: (1) GPU->host transfer, (2) MPI particle exchange with + !! neighbors, (3) host->GPU transfer, (4) per-particle BC (periodic wrap / reflect / remove), (5) compaction to remove deleted + !! particles, (6) re-smear onto Eulerian grid. + impure subroutine s_enforce_EL_particles_boundary_conditions(q_prim_vf, nstage, bc_type) + + type(scalar_field), dimension(sys_size), intent(in) :: q_prim_vf + type(integer_field), dimension(1:num_dims,1:2), intent(in) :: bc_type + integer, intent(in) :: nstage + real(wp) :: offset + integer :: k, i, q + integer :: patch_id, newBubs, new_idx + integer, dimension(3) :: cell + logical :: inc_ghost = .false. + integer :: ind_end_loc + + call nvtxStartRange("LAG-BC") + call nvtxStartRange("LAG-BC-DEV2HOST") + $:GPU_UPDATE(host='[p_owner_rank, particle_R0, Rmax_stats_part, Rmin_stats_part, particle_mass, particle_seed, f_p, & + & fqs_fluct, lag_part_id, particle_rad, particle_pos, particle_posPrev, particle_vel, particle_s, & + & particle_draddt, particle_dposdt, particle_dveldt, keep_bubble, n_el_particles_loc, wrap_bubble_dir, & + & wrap_bubble_loc]') + call nvtxEndRange + + ! Handle MPI transfer of particles going to another processor's local domain + if (num_procs > 1) then + call nvtxStartRange("LAG-BC-TRANSFER-LIST") + call s_add_particles_to_transfer_list(n_el_particles_loc, particle_pos(:,:,2), particle_posPrev(:,:,2), inc_ghost) + call nvtxEndRange + + call nvtxStartRange("LAG-BC-SENDRECV") + call s_mpi_sendrecv_solid_particles(p_owner_rank, particle_R0, Rmax_stats_part, Rmin_stats_part, particle_mass, & + & particle_seed, f_p, fqs_fluct, lag_part_id, particle_rad, particle_pos, & + & particle_posPrev, particle_vel, particle_s, particle_draddt, particle_dposdt, & + & particle_dveldt, lag_num_ts, n_el_particles_loc, 2) + call nvtxEndRange + end if + + call nvtxStartRange("LAG-BC-HOST2DEV") + $:GPU_UPDATE(device='[p_owner_rank, particle_R0, Rmax_stats_part, Rmin_stats_part, particle_mass, particle_seed, f_p, & + & fqs_fluct, lag_part_id, particle_rad, particle_pos, particle_posPrev, particle_vel, particle_s, & + & particle_draddt, particle_dposdt, particle_dveldt, n_el_particles_loc]') + call nvtxEndRange + + $:GPU_PARALLEL_LOOP(private='[k, cell]',copyin='[nstage]') + do k = 1, n_el_particles_loc + keep_bubble(k) = 1 + wrap_bubble_loc(k,:) = 0 + wrap_bubble_dir(k,:) = 0 + + ! Relocate particles at solid boundaries and delete particles that leave buffer regions + if (any(bc_x%beg == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, BC_NO_SLIP_WALL/)) .and. particle_pos(k, 1, & + & 2) < x_cb(-1) + eps_overlap) then + particle_pos(k, 1, 2) = x_cb(-1) + eps_overlap + if (nstage == lag_num_ts) then + particle_pos(k, 1, 1) = particle_pos(k, 1, 2) + end if + else if (any(bc_x%end == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, BC_NO_SLIP_WALL/)) .and. particle_pos(k, & + & 1, 2) > x_cb(m) - eps_overlap) then + particle_pos(k, 1, 2) = x_cb(m) - eps_overlap + if (nstage == lag_num_ts) then + particle_pos(k, 1, 1) = particle_pos(k, 1, 2) + end if + else if (bc_x%beg == BC_PERIODIC .and. particle_pos(k, 1, 2) < pcomm_coords(1)%beg .and. particle_posPrev(k, 1, & + & 2) >= pcomm_coords(1)%beg) then + wrap_bubble_dir(k, 1) = 1 + wrap_bubble_loc(k, 1) = -1 + else if (bc_x%end == BC_PERIODIC .and. particle_pos(k, 1, 2) > pcomm_coords(1)%end .and. particle_posPrev(k, 1, & + & 2) <= pcomm_coords(1)%end) then + wrap_bubble_dir(k, 1) = 1 + wrap_bubble_loc(k, 1) = 1 + else if (particle_pos(k, 1, 2) >= x_cb(m)) then + keep_bubble(k) = 0 + else if (particle_pos(k, 1, 2) < x_cb(-1)) then + keep_bubble(k) = 0 + end if + + if (any(bc_y%beg == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, BC_NO_SLIP_WALL/)) .and. particle_pos(k, 2, & + & 2) < y_cb(-1) + eps_overlap) then + particle_pos(k, 2, 2) = y_cb(-1) + eps_overlap + if (nstage == lag_num_ts) then + particle_pos(k, 2, 1) = particle_pos(k, 2, 2) + end if + else if (any(bc_y%end == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, BC_NO_SLIP_WALL/)) .and. particle_pos(k, & + & 2, 2) > y_cb(n) - eps_overlap) then + particle_pos(k, 2, 2) = y_cb(n) - eps_overlap + if (nstage == lag_num_ts) then + particle_pos(k, 2, 1) = particle_pos(k, 2, 2) + end if + else if (bc_y%beg == BC_PERIODIC .and. particle_pos(k, 2, 2) < pcomm_coords(2)%beg .and. particle_posPrev(k, 2, & + & 2) >= pcomm_coords(2)%beg) then + wrap_bubble_dir(k, 2) = 1 + wrap_bubble_loc(k, 2) = -1 + else if (bc_y%end == BC_PERIODIC .and. particle_pos(k, 2, 2) > pcomm_coords(2)%end .and. particle_posPrev(k, 2, & + & 2) <= pcomm_coords(2)%end) then + wrap_bubble_dir(k, 2) = 1 + wrap_bubble_loc(k, 2) = 1 + else if (particle_pos(k, 2, 2) >= y_cb(n)) then + keep_bubble(k) = 0 + else if (particle_pos(k, 2, 2) < y_cb(-1)) then + keep_bubble(k) = 0 + end if + + if (p > 0) then + if (any(bc_z%beg == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, BC_NO_SLIP_WALL/)) .and. particle_pos(k, 3, & + & 2) < z_cb(-1) + eps_overlap) then + particle_pos(k, 3, 2) = z_cb(-1) + eps_overlap + if (nstage == lag_num_ts) then + particle_pos(k, 3, 1) = particle_pos(k, 3, 2) + end if + else if (any(bc_z%end == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, & + & BC_NO_SLIP_WALL/)) .and. particle_pos(k, 3, 2) > z_cb(p) - eps_overlap) then + particle_pos(k, 3, 2) = z_cb(p) - eps_overlap + if (nstage == lag_num_ts) then + particle_pos(k, 3, 1) = particle_pos(k, 3, 2) + end if + else if (bc_z%beg == BC_PERIODIC .and. particle_pos(k, 3, 2) < pcomm_coords(3)%beg .and. particle_posPrev(k, 3, & + & 2) >= pcomm_coords(3)%beg) then + wrap_bubble_dir(k, 3) = 1 + wrap_bubble_loc(k, 3) = -1 + else if (bc_z%end == BC_PERIODIC .and. particle_pos(k, 3, 2) > pcomm_coords(3)%end .and. particle_posPrev(k, 3, & + & 2) <= pcomm_coords(3)%end) then + wrap_bubble_dir(k, 3) = 1 + wrap_bubble_loc(k, 3) = 1 + else if (particle_pos(k, 3, 2) >= z_cb(p)) then + keep_bubble(k) = 0 + else if (particle_pos(k, 3, 2) < z_cb(-1)) then + keep_bubble(k) = 0 + end if + end if + + if (keep_bubble(k) == 1) then + ! Remove bubbles that are no longer in a liquid + cell = fd_number - buff_size + call s_locate_cell(particle_pos(k,1:3,2), cell, particle_s(k,1:3,2)) + + if (q_prim_vf(advxb)%sf(cell(1), cell(2), cell(3)) < (1._wp - lag_params%valmaxvoid)) then + keep_bubble(k) = 0 + end if + end if + end do + $:END_GPU_PARALLEL_LOOP() + + if (n_el_particles_loc > 0) then + call nvtxStartRange("LAG-BC") + call nvtxStartRange("LAG-BC-DEV2HOST") + $:GPU_UPDATE(host='[p_owner_rank, particle_R0, Rmax_stats_part, Rmin_stats_part, particle_mass, particle_seed, f_p, & + & fqs_fluct, lag_part_id, particle_rad, particle_pos, particle_posPrev, particle_vel, particle_s, & + & particle_draddt, particle_dposdt, particle_dveldt, keep_bubble, n_el_particles_loc, wrap_bubble_dir, & + & wrap_bubble_loc]') + call nvtxEndRange + + newBubs = 0 + do k = 1, n_el_particles_loc + if (keep_bubble(k) == 1) then + newBubs = newBubs + 1 + if (newBubs /= k) then + call s_copy_lag_particle(newBubs, k) + wrap_bubble_dir(newBubs,:) = wrap_bubble_dir(k,:) + wrap_bubble_loc(newBubs,:) = wrap_bubble_loc(k,:) + end if + end if + end do + + n_el_particles_loc = newBubs + + ! Handle periodic wrapping of bubbles on same processor + newBubs = 0 + do k = 1, n_el_particles_loc + if (any(wrap_bubble_dir(k,:) == 1)) then + newBubs = newBubs + 1 + new_idx = n_el_particles_loc + newBubs + call s_copy_lag_particle(new_idx, k) + do i = 1, num_dims + if (wrap_bubble_dir(k, i) == 1) then + offset = glb_bounds(i)%end - glb_bounds(i)%beg + if (wrap_bubble_loc(k, i) == 1) then + do q = 1, 2 + particle_pos(new_idx, i, q) = particle_pos(new_idx, i, q) - offset + particle_posPrev(new_idx, i, q) = particle_posPrev(new_idx, i, q) - offset + end do + else if (wrap_bubble_loc(k, i) == -1) then + do q = 1, 2 + particle_pos(new_idx, i, q) = particle_pos(new_idx, i, q) + offset + particle_posPrev(new_idx, i, q) = particle_posPrev(new_idx, i, q) + offset + end do + end if + end if + end do + end if + end do + call nvtxStartRange("LAG-BC-HOST2DEV") + $:GPU_UPDATE(device='[p_owner_rank, particle_R0, Rmax_stats_part, Rmin_stats_part, particle_mass, particle_seed, f_p, & + & fqs_fluct, lag_part_id, particle_rad, particle_pos, particle_posPrev, particle_vel, particle_s, & + & particle_draddt, particle_dposdt, particle_dveldt, n_el_particles_loc]') + call nvtxEndRange + end if + + if (lag_params%qs_fluct_force) then + ind_end_loc = alphaup2z_id + else if (lag_params%solver_approach == 2) then + ind_end_loc = alphaupz_id + else + ind_end_loc = alphaf_id + end if + + call s_smear_field_contributions(bc_type, alphaf_id, ind_end_loc, .true.) + + if (lag_params%solver_approach == 2) then + call s_compute_gaussian_source_contribution() + end if + + call nvtxEndRange ! LAG-BC + + end subroutine s_enforce_EL_particles_boundary_conditions + + subroutine s_compute_gaussian_source_contribution() + + real(wp) :: myR, func_sum_dummy, func_sum_sources + real(wp), dimension(3) :: myPos, s_cell + integer :: k, i + integer, dimension(3) :: cell + + $:GPU_PARALLEL_LOOP(private='[k, i, cell, s_cell, myR, myPos, func_sum_dummy, func_sum_sources]') + do k = 1, n_el_particles_loc + myR = particle_rad(k, 2) + myPos = particle_pos(k,1:3,2) + + s_cell = particle_s(k,1:3,2) + cell = int(s_cell(:)) + do i = 1, num_dims + if (s_cell(i) < 0._wp) cell(i) = cell(i) - 1 + end do + + ! Compute the total gaussian contribution for each particle for normalization + call s_compute_gaussian_contribution(myR, myPos, cell, func_sum_dummy, func_sum_sources, q_particles) + gSum_sources(k) = func_sum_sources + end do + + end subroutine s_compute_gaussian_source_contribution + + !> This subroutine returns the computational coordinate of the cell for the given position. + !! @param pos Input coordinates + !! @param cell Computational coordinate of the cell + !! @param scoord Calculated particle coordinates + subroutine s_locate_cell(pos, cell, scoord) + + $:GPU_ROUTINE(function_name='s_locate_cell',parallelism='[seq]', cray_inline=True) + + real(wp), dimension(3), intent(in) :: pos + real(wp), dimension(3), intent(out) :: scoord + integer, dimension(3), intent(inout) :: cell + integer :: i + + do while (pos(1) < x_cb(cell(1) - 1) .and. cell(1) > -buff_size) + cell(1) = cell(1) - 1 + end do + + do while (pos(1) >= x_cb(cell(1)) .and. cell(1) < m + buff_size) + cell(1) = cell(1) + 1 + end do + + do while (pos(2) < y_cb(cell(2) - 1) .and. cell(2) > -buff_size) + cell(2) = cell(2) - 1 + end do + + do while (pos(2) >= y_cb(cell(2)) .and. cell(2) < n + buff_size) + cell(2) = cell(2) + 1 + end do + + if (p > 0) then + do while (pos(3) < z_cb(cell(3) - 1) .and. cell(3) > -buff_size) + cell(3) = cell(3) - 1 + end do + do while (pos(3) >= z_cb(cell(3)) .and. cell(3) < p + buff_size) + cell(3) = cell(3) + 1 + end do + end if + + ! The numbering of the cell of which left boundary is the domain boundary is 0. if comp.coord of the pos is s, the real + ! coordinate of s is (the coordinate of the left boundary of the Floor(s)-th cell) + (s-(int(s))*(cell-width). In other + ! words, the coordinate of the center of the cell is x_cc(cell). + + ! coordinates in computational space + scoord(1) = cell(1) + (pos(1) - x_cb(cell(1) - 1))/dx(cell(1)) + scoord(2) = cell(2) + (pos(2) - y_cb(cell(2) - 1))/dy(cell(2)) + scoord(3) = 0._wp + if (p > 0) scoord(3) = cell(3) + (pos(3) - z_cb(cell(3) - 1))/dz(cell(3)) + cell(:) = int(scoord(:)) + do i = 1, num_dims + if (scoord(i) < 0._wp) cell(i) = cell(i) - 1 + end do + + end subroutine s_locate_cell + + !> This subroutine transfer data into the temporal variables. + impure subroutine s_transfer_data_to_tmp_particles() + + integer :: k + + $:GPU_PARALLEL_LOOP(private='[k]') + do k = 1, n_el_particles_loc + particle_rad(k, 2) = particle_rad(k, 1) + particle_pos(k,1:3,2) = particle_pos(k,1:3,1) + particle_posPrev(k,1:3,2) = particle_posPrev(k,1:3,1) + particle_vel(k,1:3,2) = particle_vel(k,1:3,1) + particle_s(k,1:3,2) = particle_s(k,1:3,1) + end do + $:END_GPU_PARALLEL_LOOP() + + end subroutine s_transfer_data_to_tmp_particles + + !> The purpose of this procedure is to determine if the global coordinates of the bubbles are present in the current MPI + !! processor (including ghost cells). + !! @param pos_part Spatial coordinates of the bubble + function particle_in_domain(pos_part) + + logical :: particle_in_domain + real(wp), dimension(3), intent(in) :: pos_part + + ! 2D + + if (p == 0 .and. cyl_coord .neqv. .true.) then + ! Defining a virtual z-axis that has the same dimensions as y-axis defined in the input file + particle_in_domain = ((pos_part(1) < x_cb(m + buff_size - fd_number)) .and. (pos_part(1) >= x_cb(fd_number & + & - buff_size - 1)) .and. (pos_part(2) < y_cb(n + buff_size - fd_number)) .and. (pos_part(2) & + & >= y_cb(fd_number - buff_size - 1)) .and. (pos_part(3) < lag_params%charwidth/2._wp) & + & .and. (pos_part(3) > -lag_params%charwidth/2._wp)) + else + ! cyl_coord + particle_in_domain = ((pos_part(1) < x_cb(m + buff_size - fd_number)) .and. (pos_part(1) >= x_cb(fd_number & + & - buff_size - 1)) .and. (abs(pos_part(2)) < y_cb(n + buff_size - fd_number)) & + & .and. (abs(pos_part(2)) >= max(y_cb(fd_number - buff_size - 1), 0._wp))) + end if + + ! 3D + if (p > 0) then + particle_in_domain = ((pos_part(1) < x_cb(m + buff_size - fd_number)) .and. (pos_part(1) >= x_cb(fd_number & + & - buff_size - 1)) .and. (pos_part(2) < y_cb(n + buff_size - fd_number)) .and. (pos_part(2) & + & >= y_cb(fd_number - buff_size - 1)) .and. (pos_part(3) < z_cb(p + buff_size - fd_number)) & + & .and. (pos_part(3) >= z_cb(fd_number - buff_size - 1))) + end if + + ! For symmetric and wall boundary condition + if (any(bc_x%beg == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, BC_NO_SLIP_WALL/))) then + particle_in_domain = (particle_in_domain .and. (pos_part(1) >= x_cb(-1))) + end if + if (any(bc_x%end == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, BC_NO_SLIP_WALL/))) then + particle_in_domain = (particle_in_domain .and. (pos_part(1) < x_cb(m))) + end if + if (any(bc_y%beg == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, BC_NO_SLIP_WALL/)) .and. (.not. cyl_coord)) then + particle_in_domain = (particle_in_domain .and. (pos_part(2) >= y_cb(-1))) + end if + if (any(bc_y%end == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, BC_NO_SLIP_WALL/)) .and. (.not. cyl_coord)) then + particle_in_domain = (particle_in_domain .and. (pos_part(2) < y_cb(n))) + end if + if (p > 0) then + if (any(bc_z%beg == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, BC_NO_SLIP_WALL/))) then + particle_in_domain = (particle_in_domain .and. (pos_part(3) >= z_cb(-1))) + end if + if (any(bc_z%end == (/BC_REFLECTIVE, BC_CHAR_SLIP_WALL, BC_SLIP_WALL, BC_NO_SLIP_WALL/))) then + particle_in_domain = (particle_in_domain .and. (pos_part(3) < z_cb(p))) + end if + end if + + end function particle_in_domain + + !> Determine if a particle is located within the physical domain (excluding ghost cells) + !! @param pos_part Spatial coordinates of the particle + function particle_in_domain_physical(pos_part) + + $:GPU_ROUTINE(parallelism='[seq]') + + logical :: particle_in_domain_physical + real(wp), dimension(3), intent(in) :: pos_part + + particle_in_domain_physical = ((pos_part(1) < x_cb(m)) .and. (pos_part(1) >= x_cb(-1)) .and. (pos_part(2) < y_cb(n)) & + & .and. (pos_part(2) >= y_cb(-1))) + + if (p > 0) then + particle_in_domain_physical = (particle_in_domain_physical .and. (pos_part(3) < z_cb(p)) .and. (pos_part(3) & + & >= z_cb(-1))) + end if + + end function particle_in_domain_physical + + !> The purpose of this procedure is to calculate the gradient from reconstructed states along the x, y and z + !! @param vL_field left edge reconstructed values + !! @param vR_field right edge reconstructed values + !! @param dq Output gradient of q + !! @param dir Gradient spatial direction + !! @param field_var variable index for reconstructed states + subroutine s_gradient_field(vL_field, vR_field, dq, dir, field_var) + + real(stp), dimension(idwbuff(1)%beg:,idwbuff(2)%beg:,idwbuff(3)%beg:), intent(out) :: dq + real(wp), dimension(idwbuff(1)%beg:,idwbuff(2)%beg:,idwbuff(3)%beg:,1:), intent(in) :: vL_field + real(wp), dimension(idwbuff(1)%beg:,idwbuff(2)%beg:,idwbuff(3)%beg:,1:), intent(in) :: vR_field + integer, intent(in) :: dir, field_var + integer :: i, j, k + real(wp) :: mydx + + if (dir == 1) then + $:GPU_PARALLEL_LOOP(private='[i, j, k, mydx]', collapse=3,copyin='[dir, field_var]') + do k = idwbuff(3)%beg, idwbuff(3)%end + do j = idwbuff(2)%beg, idwbuff(2)%end + do i = idwbuff(1)%beg, idwbuff(1)%end + mydx = dx(i) + dq(i, j, k) = (vR_field(i, j, k, field_var) - vL_field(i, j, k, field_var))/mydx + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + else if (dir == 2) then + $:GPU_PARALLEL_LOOP(private='[i, j, k, mydx]', collapse=3,copyin='[dir, field_var]') + do k = idwbuff(3)%beg, idwbuff(3)%end + do j = idwbuff(1)%beg, idwbuff(1)%end + do i = idwbuff(2)%beg, idwbuff(2)%end + mydx = dy(i) + dq(j, i, k) = (vR_field(i, j, k, field_var) - vL_field(i, j, k, field_var))/mydx + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + else if (dir == 3) then + $:GPU_PARALLEL_LOOP(private='[i, j, k, mydx]', collapse=3,copyin='[dir, field_var]') + do k = idwbuff(1)%beg, idwbuff(1)%end + do j = idwbuff(2)%beg, idwbuff(2)%end + do i = idwbuff(3)%beg, idwbuff(3)%end + mydx = dz(i) + dq(k, j, i) = (vR_field(i, j, k, field_var) - vL_field(i, j, k, field_var))/mydx + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + end if + + end subroutine s_gradient_field + + !> The purpose of this procedure is to calculate the gradient of a scalar field along the x, y and z directions using Fornberg's + !! method + !! @param q Input scalar field + !! @param dq Output gradient of q + !! @param dir Gradient spatial direction + subroutine s_gradient_dir_fornberg(q, dq, dir) + + real(stp), dimension(idwbuff(1)%beg:,idwbuff(2)%beg:,idwbuff(3)%beg:), intent(in) :: q + real(stp), dimension(idwbuff(1)%beg:,idwbuff(2)%beg:,idwbuff(3)%beg:), intent(out) :: dq + integer, intent(in) :: dir + integer :: i, j, k, a, npts, s_idx + + npts = (nWeights_grad - 1)/2 + + if (dir == 1) then + $:GPU_PARALLEL_LOOP(private='[i, j, k, s_idx, a]', collapse=3,copyin='[npts]') + do k = idwbuff(3)%beg, idwbuff(3)%end + do j = idwbuff(2)%beg, idwbuff(2)%end + do i = idwbuff(1)%beg + 2, idwbuff(1)%end - 2 + dq(i, j, k) = 0._wp + do a = -npts, npts + s_idx = a + npts + 1 + dq(i, j, k) = dq(i, j, k) + weights_x_grad(s_idx)%sf(i, 1, 1)*q(i + a, j, k) + end do + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + else if (dir == 2) then + $:GPU_PARALLEL_LOOP(private='[i, j, k, s_idx, a]', collapse=3,copyin='[npts]') + do k = idwbuff(3)%beg, idwbuff(3)%end + do j = idwbuff(2)%beg + 2, idwbuff(2)%end - 2 + do i = idwbuff(1)%beg, idwbuff(1)%end + dq(i, j, k) = 0._wp + do a = -npts, npts + s_idx = a + npts + 1 + dq(i, j, k) = dq(i, j, k) + weights_y_grad(s_idx)%sf(j, 1, 1)*q(i, j + a, k) + end do + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + else if (dir == 3) then + $:GPU_PARALLEL_LOOP(private='[i, j, k, s_idx, a]', collapse=3,copyin='[npts]') + do k = idwbuff(3)%beg + 2, idwbuff(3)%end - 2 + do j = idwbuff(2)%beg, idwbuff(2)%end + do i = idwbuff(1)%beg, idwbuff(1)%end + dq(i, j, k) = 0._wp + do a = -npts, npts + s_idx = a + npts + 1 + dq(i, j, k) = dq(i, j, k) + weights_z_grad(s_idx)%sf(k, 1, 1)*q(i, j, k + a) + end do + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + end if + + end subroutine s_gradient_dir_fornberg + + !> The purpose of this procedure is to compute the Fornberg finite difference weights for derivatives (only done once at start + !! time) + impure subroutine s_compute_fornberg_fd_weights(npts) + + integer, intent(in) :: npts + integer :: i, j, k, a, m_order + integer :: s_idx + real(wp) :: x0, y0, z0 + real(wp) :: x_stencil(nWeights_grad) + real(wp) :: c(nWeights_grad,0:1) + + m_order = 1 ! first derivative + + $:GPU_PARALLEL_LOOP(private='[i, a, x_stencil, c, s_idx, x0]', copyin='[npts, m_order]') + do i = idwbuff(1)%beg + npts, idwbuff(1)%end - npts + do a = -npts, npts + s_idx = a + npts + 1 + x_stencil(s_idx) = x_cc(i + a) + end do + x0 = x_cc(i) + + call s_fornberg_weights(x0, x_stencil, nWeights_grad, m_order, c) + + do a = -npts, npts + s_idx = a + npts + 1 + weights_x_grad(s_idx)%sf(i, 1, 1) = c(s_idx, 1) + end do + end do + $:END_GPU_PARALLEL_LOOP() + + $:GPU_PARALLEL_LOOP(private='[j, a, x_stencil, c, s_idx, y0]', copyin='[npts, m_order]') + do j = idwbuff(2)%beg + npts, idwbuff(2)%end - npts + do a = -npts, npts + s_idx = a + npts + 1 + x_stencil(s_idx) = y_cc(j + a) + end do + y0 = y_cc(j) + + call s_fornberg_weights(y0, x_stencil, nWeights_grad, m_order, c) + + do a = -npts, npts + s_idx = a + npts + 1 + weights_y_grad(s_idx)%sf(j, 1, 1) = c(s_idx, 1) + end do + end do + $:END_GPU_PARALLEL_LOOP() + + if (num_dims == 3) then + $:GPU_PARALLEL_LOOP(private='[k, a, x_stencil, c, s_idx, z0]', copyin='[npts, m_order]') + do k = idwbuff(3)%beg + npts, idwbuff(3)%end - npts + do a = -npts, npts + s_idx = a + npts + 1 + x_stencil(s_idx) = z_cc(k + a) + end do + z0 = z_cc(k) + + call s_fornberg_weights(z0, x_stencil, nWeights_grad, m_order, c) + + do a = -npts, npts + s_idx = a + npts + 1 + weights_z_grad(s_idx)%sf(k, 1, 1) = c(s_idx, 1) + end do + end do + $:END_GPU_PARALLEL_LOOP() + end if + + end subroutine s_compute_fornberg_fd_weights + + !> The purpose of this procedure is to compute the Fornberg finite difference weights on a local stencil + subroutine s_fornberg_weights(x0, stencil, npts, m_order, coeffs) + + $:GPU_ROUTINE(parallelism='[seq]') + + integer, intent(in) :: npts ! number of stencil points + integer, intent(in) :: m_order ! highest derivative order + real(wp), intent(in) :: x0 ! evaluation point + real(wp), intent(in) :: stencil(npts) ! stencil coordinates + real(wp), intent(out) :: coeffs(npts,0:m_order) + integer :: i, j, k, mn + real(wp) :: c1, c2, c3, c4, c5 + + coeffs = 0.0_wp + c1 = 1.0_wp + c4 = stencil(1) - x0 + coeffs(1, 0) = 1.0_wp + + do i = 2, npts + mn = min(i - 1, m_order) + c2 = 1.0_wp + c5 = c4 + c4 = stencil(i) - x0 + + do j = 1, i - 1 + c3 = stencil(i) - stencil(j) + c2 = c2*c3 + + if (j == i - 1) then + do k = mn, 1, -1 + coeffs(i, k) = c1*(k*coeffs(i - 1, k - 1) - c5*coeffs(i - 1, k))/c2 + end do + coeffs(i, 0) = -c1*c5*coeffs(i - 1, 0)/c2 + end if + + do k = mn, 1, -1 + coeffs(j, k) = (c4*coeffs(j, k) - k*coeffs(j, k - 1))/c3 + end do + coeffs(j, 0) = c4*coeffs(j, 0)/c3 + end do + + c1 = c2 + end do + + end subroutine s_fornberg_weights + + !> The purpose of this procedure is to compute the barycentric weights for interpolation (only done once at start time) + impure subroutine s_compute_barycentric_weights(npts) + + integer, intent(in) :: npts + integer :: i, j, k, l, a, b + real(wp) :: prod_x, prod_y, prod_z, dx_loc, dy_loc, dz_loc + + $:GPU_PARALLEL_LOOP(private='[i, a, b, prod_x, dx_loc]', copyin = '[npts]') + do i = idwbuff(1)%beg + npts, idwbuff(1)%end - npts + do a = -npts, npts + prod_x = 1._wp + do b = -npts, npts + if (a /= b) then + dx_loc = x_cc(i + a) - x_cc(i + b) + prod_x = prod_x*dx_loc + end if + end do + weights_x_interp(a + npts + 1)%sf(i, 1, 1) = 1._wp/prod_x + end do + end do + $:END_GPU_PARALLEL_LOOP() + + $:GPU_PARALLEL_LOOP(private='[j, a, b, prod_y, dy_loc]', copyin = '[npts]') + do j = idwbuff(2)%beg + npts, idwbuff(2)%end - npts + do a = -npts, npts + prod_y = 1._wp + do b = -npts, npts + if (a /= b) then + dy_loc = y_cc(j + a) - y_cc(j + b) + prod_y = prod_y*dy_loc + end if + end do + weights_y_interp(a + npts + 1)%sf(j, 1, 1) = 1._wp/prod_y + end do + end do + $:END_GPU_PARALLEL_LOOP() + + if (num_dims == 3) then + $:GPU_PARALLEL_LOOP(private='[k, a, b, prod_z, dz_loc]', copyin = '[npts]') + do k = idwbuff(3)%beg + npts, idwbuff(3)%end - npts + do a = -npts, npts + prod_z = 1._wp + do b = -npts, npts + if (a /= b) then + dz_loc = z_cc(k + a) - z_cc(k + b) + prod_z = prod_z*dz_loc + end if + end do + weights_z_interp(a + npts + 1)%sf(k, 1, 1) = 1._wp/prod_z + end do + end do + end if + + end subroutine s_compute_barycentric_weights + + impure subroutine s_open_lag_bubble_evol + + character(LEN=path_len + 2*name_len) :: file_loc + logical :: file_exist + character(LEN=25) :: FMT + + write (file_loc, '(A,I0,A)') 'lag_bubble_evol_', proc_rank, '.dat' + file_loc = trim(case_dir) // '/D/' // trim(file_loc) + call my_inquire(trim(file_loc), file_exist) + + if (precision == 1) then + FMT = "(A16,A14,8A16)" + else + FMT = "(A24,A14,8A24)" + end if + + if (.not. file_exist) then + open (LAG_EVOL_ID, FILE=trim(file_loc), form='formatted', position='rewind') + write (LAG_EVOL_ID, FMT) 'currentTime', 'particleID', 'x', 'y', 'z', 'Vx', 'Vy', 'Vz', 'Fp_x', 'Fp_y', 'Fp_z', 'radius' + else + open (LAG_EVOL_ID, FILE=trim(file_loc), form='formatted', position='append') + end if + + end subroutine s_open_lag_bubble_evol + + !> Write particle evolution data at each output time step + !! @param qtime Current time + impure subroutine s_write_lag_particle_evol(qtime) + + real(wp), intent(in) :: qtime + integer :: k, ios + character(LEN=25) :: FMT + character(LEN=path_len + 2*name_len) :: file_loc, path + logical :: file_exist + + if (precision == 1) then + ! FMT = "(F16.8,I14,8F16.8)" + FMT = "(F16.8,I14,10F16.8)" + else + ! FMT = "(F24.16,I14,8F24.16)" + FMT = "(F24.16,I14,10F24.16)" + end if + + ! Cycle through list + do k = 1, n_el_particles_loc + write (LAG_EVOL_ID, FMT) qtime, lag_part_id(k, 1), particle_pos(k, 1, 1), particle_pos(k, 2, 1), particle_pos(k, 3, & + & 1), particle_vel(k, 1, 1), particle_vel(k, 2, 1), particle_vel(k, 3, 1), f_p(k, 1), f_p(k, 2), f_p(k, 3), & + & particle_rad(k, 1) + end do + + end subroutine s_write_lag_particle_evol + + impure subroutine s_close_lag_particle_evol + + close (LAG_EVOL_ID) + + end subroutine s_close_lag_particle_evol + + subroutine s_open_void_evol + + character(LEN=path_len + 2*name_len) :: file_loc + logical :: file_exist + + if (proc_rank == 0) then + write (file_loc, '(A)') 'voidfraction.dat' + file_loc = trim(case_dir) // '/D/' // trim(file_loc) + call my_inquire(trim(file_loc), file_exist) + if (.not. file_exist) then + open (LAG_VOID_ID, FILE=trim(file_loc), form='formatted', position='rewind') + ! write (12, *) 'currentTime, averageVoidFraction, ', & 'maximumVoidFraction, totalParticlesVolume' write (12, *) + ! 'The averageVoidFraction value does ', & 'not reflect the real void fraction in the cloud since the ', & 'cells + ! which do not have bubbles are not accounted' + else + open (LAG_VOID_ID, FILE=trim(file_loc), form='formatted', position='append') + end if + end if + + end subroutine s_open_void_evol + + !> Subroutine that writes some useful statistics related to the volume fraction of the particles (void fraction) in the + !! computatioational domain on each time step. + !! @param q_time Current time + impure subroutine s_write_void_evol_particles(qtime) + + real(wp), intent(in) :: qtime + real(wp) :: volcell, voltot + real(wp) :: lag_void_max, lag_void_avg, lag_vol + real(wp) :: void_max_glb, void_avg_glb, vol_glb + integer :: i, j, k + character(LEN=path_len + 2*name_len) :: file_loc + logical :: file_exist + + lag_void_max = 0._wp + lag_void_avg = 0._wp + lag_vol = 0._wp + $:GPU_PARALLEL_LOOP(private='[volcell]', collapse=3, reduction='[[lag_vol, lag_void_avg], [lag_void_max]]', & + & reductionOp='[+, MAX]', copy='[lag_vol, lag_void_avg, lag_void_max]') + do k = 0, p + do j = 0, n + do i = 0, m + lag_void_max = max(lag_void_max, 1._wp - q_particles(alphaf_id)%sf(i, j, k)) + call s_get_char_vol(i, j, k, volcell) + if ((1._wp - q_particles(alphaf_id)%sf(i, j, k)) > 5.0e-11_wp) then + lag_void_avg = lag_void_avg + (1._wp - q_particles(alphaf_id)%sf(i, j, k))*volcell + lag_vol = lag_vol + volcell + end if + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + +#ifdef MFC_MPI + if (num_procs > 1) then + call s_mpi_allreduce_max(lag_void_max, void_max_glb) + lag_void_max = void_max_glb + call s_mpi_allreduce_sum(lag_vol, vol_glb) + lag_vol = vol_glb + call s_mpi_allreduce_sum(lag_void_avg, void_avg_glb) + lag_void_avg = void_avg_glb + end if +#endif + voltot = lag_void_avg + ! This voidavg value does not reflect the real void fraction in the cloud since the cell which does not have bubbles are not + ! accounted + if (lag_vol > 0._wp) lag_void_avg = lag_void_avg/lag_vol + + if (proc_rank == 0) then + write (LAG_VOID_ID, '(6X,4e24.8)') qtime, lag_void_avg, lag_void_max, voltot + end if + + end subroutine s_write_void_evol_particles + + subroutine s_close_void_evol + + if (proc_rank == 0) close (LAG_VOID_ID) + + end subroutine s_close_void_evol + + !> Subroutine that writes the restarting files for the particles in the lagrangian solver. + !! @param t_step Current time step + impure subroutine s_write_restart_lag_particles(t_step) + + ! Generic string used to store the address of a particular file + integer, intent(in) :: t_step + character(LEN=path_len + 2*name_len) :: file_loc + logical :: file_exist + integer :: part_id, tot_part + integer :: i, k + +#ifdef MFC_MPI + ! For Parallel I/O + integer :: ifile, ierr + integer, dimension(MPI_STATUS_SIZE) :: status + integer(KIND=MPI_OFFSET_KIND) :: disp + integer :: view + integer, dimension(2) :: gsizes, lsizes, start_idx_part + integer, dimension(num_procs) :: part_order, part_ord_mpi + integer, dimension(num_procs) :: proc_particle_counts + real(wp), dimension(1:1,1:lag_io_vars) :: dummy + dummy = 0._wp + + part_id = 0 + if (n_el_particles_loc /= 0) then + do k = 1, n_el_particles_loc + if (particle_in_domain_physical(particle_pos(k,1:3,1))) then + part_id = part_id + 1 + end if + end do + end if + + if (.not. parallel_io) return + + lsizes(1) = part_id + lsizes(2) = lag_io_vars + + ! Total number of particles + call MPI_ALLREDUCE(part_id, tot_part, 1, MPI_integer, MPI_SUM, MPI_COMM_WORLD, ierr) + + call MPI_ALLGATHER(part_id, 1, MPI_INTEGER, proc_particle_counts, 1, MPI_INTEGER, MPI_COMM_WORLD, ierr) + + ! Calculate starting index for this processor's particles + call MPI_EXSCAN(lsizes(1), start_idx_part(1), 1, MPI_INTEGER, MPI_SUM, MPI_COMM_WORLD, ierr) + if (proc_rank == 0) start_idx_part(1) = 0 + start_idx_part(2) = 0 + + gsizes(1) = tot_part + gsizes(2) = lag_io_vars + + write (file_loc, '(A,I0,A)') 'lag_bubbles_', t_step, '.dat' + file_loc = trim(case_dir) // '/restart_data' // trim(mpiiofs) // trim(file_loc) + + ! Clean up existing file + if (proc_rank == 0) then + inquire (FILE=trim(file_loc), EXIST=file_exist) + if (file_exist) then + call MPI_FILE_DELETE(file_loc, mpi_info_int, ierr) + end if + end if + + call MPI_BARRIER(MPI_COMM_WORLD, ierr) + + if (proc_rank == 0) then + call MPI_FILE_OPEN(MPI_COMM_SELF, file_loc, ior(MPI_MODE_WRONLY, MPI_MODE_CREATE), mpi_info_int, ifile, ierr) + + ! Write header using MPI I/O for consistency + call MPI_FILE_WRITE(ifile, tot_part, 1, MPI_INTEGER, status, ierr) + call MPI_FILE_WRITE(ifile, mytime, 1, mpi_p, status, ierr) + call MPI_FILE_WRITE(ifile, dt, 1, mpi_p, status, ierr) + call MPI_FILE_WRITE(ifile, num_procs, 1, MPI_INTEGER, status, ierr) + call MPI_FILE_WRITE(ifile, proc_particle_counts, num_procs, MPI_INTEGER, status, ierr) + + call MPI_FILE_CLOSE(ifile, ierr) + end if + + call MPI_BARRIER(MPI_COMM_WORLD, ierr) + + if (part_id > 0) then + allocate (MPI_IO_DATA_lag_bubbles(max(1, part_id),1:lag_io_vars)) + + i = 1 + do k = 1, n_el_particles_loc + if (particle_in_domain_physical(particle_pos(k,1:3,1))) then + MPI_IO_DATA_lag_bubbles(i, 1) = real(lag_part_id(k, 1)) + MPI_IO_DATA_lag_bubbles(i,2:4) = particle_pos(k,1:3,1) + MPI_IO_DATA_lag_bubbles(i,5:7) = particle_posPrev(k,1:3,1) + MPI_IO_DATA_lag_bubbles(i,8:10) = particle_vel(k,1:3,1) + MPI_IO_DATA_lag_bubbles(i, 11) = particle_rad(k, 1) + MPI_IO_DATA_lag_bubbles(i, 13) = particle_R0(k) + MPI_IO_DATA_lag_bubbles(i, 14) = Rmax_stats_part(k) + MPI_IO_DATA_lag_bubbles(i, 15) = Rmin_stats_part(k) + MPI_IO_DATA_lag_bubbles(i, 19) = particle_mass(k) + i = i + 1 + end if + end do + + call MPI_TYPE_CREATE_SUBARRAY(2, gsizes, lsizes, start_idx_part, MPI_ORDER_FORTRAN, mpi_p, view, ierr) + call MPI_TYPE_COMMIT(view, ierr) + + call MPI_FILE_OPEN(MPI_COMM_WORLD, file_loc, ior(MPI_MODE_WRONLY, MPI_MODE_CREATE), mpi_info_int, ifile, ierr) + + ! Skip header (written by rank 0) + disp = int(sizeof(tot_part) + 2*sizeof(mytime) + sizeof(num_procs) + num_procs*sizeof(proc_particle_counts(1)), & + & MPI_OFFSET_KIND) + call MPI_FILE_SET_VIEW(ifile, disp, mpi_p, view, 'native', mpi_info_int, ierr) + + call MPI_FILE_WRITE_ALL(ifile, MPI_IO_DATA_lag_bubbles, lag_io_vars*part_id, mpi_p, status, ierr) + + call MPI_FILE_CLOSE(ifile, ierr) + + deallocate (MPI_IO_DATA_lag_bubbles) + else + call MPI_TYPE_CONTIGUOUS(0, mpi_p, view, ierr) + call MPI_TYPE_COMMIT(view, ierr) + + call MPI_FILE_OPEN(MPI_COMM_WORLD, file_loc, ior(MPI_MODE_WRONLY, MPI_MODE_CREATE), mpi_info_int, ifile, ierr) + + ! Skip header (written by rank 0) + disp = int(sizeof(tot_part) + 2*sizeof(mytime) + sizeof(num_procs) + num_procs*sizeof(proc_particle_counts(1)), & + & MPI_OFFSET_KIND) + call MPI_FILE_SET_VIEW(ifile, disp, mpi_p, view, 'native', mpi_info_int, ierr) + + call MPI_FILE_WRITE_ALL(ifile, dummy, 0, mpi_p, status, ierr) + + call MPI_FILE_CLOSE(ifile, ierr) + end if +#endif + + end subroutine s_write_restart_lag_particles + + !> Calculate global maximum and minimum R/R0 ratio across all particles. + subroutine s_calculate_lag_particle_stats() + + integer :: k + + $:GPU_PARALLEL_LOOP(private='[k]', reduction='[[Rmax_glb], [Rmin_glb]]', reductionOp='[MAX, MIN]', & + & copy='[Rmax_glb, Rmin_glb]') + do k = 1, n_el_particles_loc + Rmax_glb = max(Rmax_glb, particle_rad(k, 1)/particle_R0(k)) + Rmin_glb = min(Rmin_glb, particle_rad(k, 1)/particle_R0(k)) + Rmax_stats_part(k) = max(Rmax_stats_part(k), particle_rad(k, 1)/particle_R0(k)) + Rmin_stats_part(k) = min(Rmin_stats_part(k), particle_rad(k, 1)/particle_R0(k)) + end do + $:END_GPU_PARALLEL_LOOP() + + end subroutine s_calculate_lag_particle_stats + + impure subroutine s_open_lag_particle_stats() + + character(LEN=path_len + 2*name_len) :: file_loc + character(LEN=20) :: FMT + logical :: file_exist + + write (file_loc, '(A,I0,A)') 'stats_lag_bubbles_', proc_rank, '.dat' + file_loc = trim(case_dir) // '/D/' // trim(file_loc) + call my_inquire(trim(file_loc), file_exist) + + if (precision == 1) then + FMT = "(A10,A14,5A16)" + else + FMT = "(A10,A14,5A24)" + end if + + if (.not. file_exist) then + open (LAG_STATS_ID, FILE=trim(file_loc), form='formatted', position='rewind') + write (LAG_STATS_ID, *) 'proc_rank, particleID, x, y, z, Rmax_glb, Rmin_glb' + else + open (LAG_STATS_ID, FILE=trim(file_loc), form='formatted', position='append') + end if + + end subroutine s_open_lag_particle_stats + + !> Write particle radius statistics to file. + impure subroutine s_write_lag_particle_stats() + + integer :: k + character(LEN=path_len + 2*name_len) :: file_loc + character(LEN=20) :: FMT + + $:GPU_UPDATE(host='[Rmax_glb, Rmin_glb]') + + if (precision == 1) then + FMT = "(I10,I14,5F16.8)" + else + FMT = "(I10,I14,5F24.16)" + end if + + do k = 1, n_el_particles_loc + write (LAG_STATS_ID, FMT) proc_rank, lag_part_id(k, 1), particle_pos(k, 1, 1), particle_pos(k, 2, 1), particle_pos(k, & + & 3, 1), Rmax_stats_part(k), Rmin_stats_part(k) + end do + + end subroutine s_write_lag_particle_stats + + subroutine s_close_lag_particle_stats + + close (LAG_STATS_ID) + + end subroutine s_close_lag_particle_stats + + !> The purpose of this subroutine is to remove one specific particle if dt is too small. + !! @param part_id Particle id + impure subroutine s_copy_lag_particle(dest, src) + + integer, intent(in) :: src, dest + + p_owner_rank(dest) = p_owner_rank(src) + particle_R0(dest) = particle_R0(src) + Rmax_stats_part(dest) = Rmax_stats_part(src) + Rmin_stats_part(dest) = Rmin_stats_part(src) + particle_mass(dest) = particle_mass(src) + particle_seed(dest) = particle_seed(src) + lag_part_id(dest, 1) = lag_part_id(src, 1) + particle_rad(dest,1:2) = particle_rad(src,1:2) + particle_vel(dest,1:3,1:2) = particle_vel(src,1:3,1:2) + particle_s(dest,1:3,1:2) = particle_s(src,1:3,1:2) + particle_pos(dest,1:3,1:2) = particle_pos(src,1:3,1:2) + particle_posPrev(dest,1:3,1:2) = particle_posPrev(src,1:3,1:2) + particle_draddt(dest,1:lag_num_ts) = particle_draddt(src,1:lag_num_ts) + f_p(dest,1:3) = f_p(src,1:3) + fqs_fluct(dest,1:3) = fqs_fluct(src,1:3) + particle_dposdt(dest,1:3,1:lag_num_ts) = particle_dposdt(src,1:3,1:lag_num_ts) + particle_dveldt(dest,1:3,1:lag_num_ts) = particle_dveldt(src,1:3,1:lag_num_ts) + + end subroutine s_copy_lag_particle + + !> The purpose of this subroutine is to deallocate variables + impure subroutine s_finalize_particle_lagrangian_solver() + + integer :: i + + if (lag_params%write_void_evol) call s_close_void_evol + if (lag_params%write_bubbles) call s_close_lag_particle_evol() + if (lag_params%write_bubbles_stats) call s_close_lag_particle_stats() + + do i = 1, q_particles_idx + @:DEALLOCATE(q_particles(i)%sf) + @:DEALLOCATE(kahan_comp(i)%sf) + end do + @:DEALLOCATE(q_particles) + @:DEALLOCATE(kahan_comp) + + do i = 1, nField_vars + @:DEALLOCATE(field_vars(i)%sf) + end do + @:DEALLOCATE(field_vars) + + do i = 1, sys_size + @:DEALLOCATE(rhs_old(i)%sf) + end do + @:DEALLOCATE(rhs_old) + + do i = 1, nWeights_interp + @:DEALLOCATE(weights_x_interp(i)%sf) + end do + @:DEALLOCATE(weights_x_interp) + + do i = 1, nWeights_interp + @:DEALLOCATE(weights_y_interp(i)%sf) + end do + @:DEALLOCATE(weights_y_interp) + + do i = 1, nWeights_interp + @:DEALLOCATE(weights_z_interp(i)%sf) + end do + @:DEALLOCATE(weights_z_interp) + + do i = 1, nWeights_grad + @:DEALLOCATE(weights_x_grad(i)%sf) + end do + @:DEALLOCATE(weights_x_grad) + + do i = 1, nWeights_grad + @:DEALLOCATE(weights_y_grad(i)%sf) + end do + @:DEALLOCATE(weights_y_grad) + + do i = 1, nWeights_grad + @:DEALLOCATE(weights_z_grad(i)%sf) + end do + @:DEALLOCATE(weights_z_grad) + + ! Deallocating space + @:DEALLOCATE(lag_part_id) + @:DEALLOCATE(gid_to_local) + @:DEALLOCATE(particle_R0) + @:DEALLOCATE(Rmax_stats_part) + @:DEALLOCATE(Rmin_stats_part) + @:DEALLOCATE(particle_mass) + @:DEALLOCATE(particle_seed) + @:DEALLOCATE(p_AM) + @:DEALLOCATE(p_owner_rank) + @:DEALLOCATE(particle_rad) + @:DEALLOCATE(particle_pos) + @:DEALLOCATE(particle_posPrev) + @:DEALLOCATE(particle_vel) + @:DEALLOCATE(particle_s) + @:DEALLOCATE(particle_draddt) + @:DEALLOCATE(particle_dposdt) + @:DEALLOCATE(particle_dveldt) + @:DEALLOCATE(f_p) + @:DEALLOCATE(fqs_fluct) + @:DEALLOCATE(gSum) + @:DEALLOCATE(gSum_sources) + + @:DEALLOCATE(force_recv_ids) + @:DEALLOCATE(force_recv_vals) + + @:DEALLOCATE(keep_bubble) + @:DEALLOCATE(wrap_bubble_loc, wrap_bubble_dir) + + @:DEALLOCATE(linked_list) + @:DEALLOCATE(particle_head) + + end subroutine s_finalize_particle_lagrangian_solver + +end module m_particles_EL diff --git a/src/simulation/m_particles_EL_kernels.fpp b/src/simulation/m_particles_EL_kernels.fpp new file mode 100644 index 0000000000..cfcb40d746 --- /dev/null +++ b/src/simulation/m_particles_EL_kernels.fpp @@ -0,0 +1,1125 @@ +!> +!! @file m_particles_EL_kernels.fpp +!! @brief Contains module m_particles_EL_kernels + +#:include 'macros.fpp' + +!> @brief This module contains kernel functions used to map the effect of the lagrangian particles in the Eulerian framework. +module m_particles_EL_kernels + + use m_mpi_proxy !< Message passing interface (MPI) module proxy + use ieee_arithmetic !< For checking NaN + use m_model !< For getting f_model_random_number + + implicit none + + integer, parameter :: alphaf_id_loc = 1 + integer, parameter :: alphaupx_id_loc = 2 !< x particle momentum index + integer, parameter :: alphaupy_id_loc = 3 !< y particle momentum index + integer, parameter :: alphaupz_id_loc = 4 !< z particle momentum index + integer, parameter :: alphaup2x_id_loc = 5 !< x particle velocity squared + integer, parameter :: alphaup2y_id_loc = 6 !< y particle velocity squared + integer, parameter :: alphaup2z_id_loc = 7 !< z particle velocity squared + integer, parameter :: Smx_id_loc = 8 + integer, parameter :: Smy_id_loc = 9 + integer, parameter :: Smz_id_loc = 10 + integer, parameter :: SE_id_loc = 11 + integer, parameter :: dPx_id_loc = 1 !< Spatial pressure gradient in x, y, and z + integer, parameter :: drhox_id_loc = 4 !< Spatial density gradient in x, y, and z + integer, parameter :: dufxdx_id_loc = 7 ! du_x/dx + integer, parameter :: dufxdy_id_loc = 8 ! du_x/dy + integer, parameter :: dufxdz_id_loc = 9 ! du_x/dz + integer, parameter :: dufydx_id_loc = 10 ! du_y/dx + integer, parameter :: dufydy_id_loc = 11 ! du_y/dy + integer, parameter :: dufydz_id_loc = 12 ! du_y/dz + integer, parameter :: dufzdx_id_loc = 13 ! du_z/dx + integer, parameter :: dufzdy_id_loc = 14 ! du_z/dy + integer, parameter :: dufzdz_id_loc = 15 ! du_z/dz + +contains + + ! !> The purpose of this subroutine is to compute each particles total contribution to the gaussian for proper normalization + subroutine s_compute_gaussian_contribution(rad, pos, cell, func_s, func_s_sources, updatedvar_old) + + $:GPU_ROUTINE(function_name='s_compute_gaussian_contribution',parallelism='[seq]', cray_inline=True) + + type(scalar_field), dimension(:), intent(in) :: updatedvar_old + real(wp), intent(in) :: rad + real(wp), intent(in), dimension(3) :: pos + integer, intent(in), dimension(3) :: cell + real(wp), intent(out) :: func_s, func_s_sources + real(wp) :: volpart, stddsv, Vol_loc, func, alpha_f + real(wp), dimension(3) :: nodecoord, center + integer :: ip, jp, kp, di, dj, dk, di_beg, di_end, dj_beg, dj_end, dk_beg, dk_end, mapCells_loc + integer, dimension(3) :: cellijk + + mapCells_loc = 1 + + volpart = (4._wp/3._wp)*pi*rad**3 + + call s_compute_stddsv(cell, volpart, stddsv) + + ip = cell(1) + jp = cell(2) + kp = cell(3) + + di_beg = ip - mapCells_loc + di_end = ip + mapCells_loc + dj_beg = jp - mapCells_loc + dj_end = jp + mapCells_loc + dk_beg = kp + dk_end = kp + + if (num_dims == 3) then + dk_beg = kp - mapCells_loc + dk_end = kp + mapCells_loc + end if + + func_s = 0._wp + func_s_sources = 0._wp + do dk = dk_beg, dk_end + do dj = dj_beg, dj_end + do di = di_beg, di_end + nodecoord(1) = x_cc(di) + nodecoord(2) = y_cc(dj) + nodecoord(3) = 0._wp + if (p > 0) nodecoord(3) = z_cc(dk) + + cellijk(1) = di + cellijk(2) = dj + cellijk(3) = dk + + center(1:2) = pos(1:2) + center(3) = 0._wp + if (p > 0) center(3) = pos(3) + + Vol_loc = dx(cellijk(1))*dy(cellijk(2)) + if (num_dims == 3) Vol_loc = dx(cellijk(1))*dy(cellijk(2))*dz(cellijk(3)) + + call s_applygaussian(center, cellijk, nodecoord, stddsv, 0._wp, func) + + alpha_f = updatedvar_old(alphaf_id_loc)%sf(cellijk(1), cellijk(2), cellijk(3)) + func_s = func_s + (func*Vol_loc) + func_s_sources = func_s_sources + (func*Vol_loc*alpha_f) + end do + end do + end do + + end subroutine s_compute_gaussian_contribution + + !> The purpose of this subroutine is to compute the gaussian smearing of particle volume fraction and source terms with atomic + !! cell updates + subroutine s_gaussian_atomic(rad, vel, pos, force_p, gauSum, gauSum_sources, cell, updatedvar, kcomp, ind_start, ind_end) + + $:GPU_ROUTINE(function_name='s_gaussian_atomic',parallelism='[seq]', cray_inline=True) + + real(wp), intent(in) :: rad, gauSum, gauSum_sources + real(wp), intent(in), dimension(3) :: pos, vel, force_p + integer, intent(in), dimension(3) :: cell + type(scalar_field), dimension(:), intent(inout) :: updatedvar + type(scalar_field), dimension(:), intent(inout) :: kcomp + integer, intent(in) :: ind_start, ind_end + real(wp) :: volpart, stddsv, Vol_loc, func, weight + real(wp) :: fp_x, fp_y, fp_z, vp_x, vp_y, vp_z + real(wp) :: addFun + real(wp), dimension(3) :: nodecoord, center + integer :: ip, jp, kp, di, dj, dk, di_beg, di_end, dj_beg, dj_end, dk_beg, dk_end, mapCells_loc, field_ind + integer, dimension(3) :: cellijk + + mapCells_loc = 1 + + volpart = (4._wp/3._wp)*pi*rad**3._wp + + call s_compute_stddsv(cell, volpart, stddsv) + + ip = cell(1) + jp = cell(2) + kp = cell(3) + + di_beg = ip - mapCells_loc + di_end = ip + mapCells_loc + dj_beg = jp - mapCells_loc + dj_end = jp + mapCells_loc + dk_beg = kp + dk_end = kp + + if (num_dims == 3) then + dk_beg = kp - mapCells_loc + dk_end = kp + mapCells_loc + end if + + fp_x = -force_p(1) + fp_y = -force_p(2) + fp_z = -force_p(3) + + vp_x = vel(1) + vp_y = vel(2) + vp_z = vel(3) + + center(1:2) = pos(1:2) + center(3) = 0._wp + if (p > 0) center(3) = pos(3) + + do dk = dk_beg, dk_end + do dj = dj_beg, dj_end + do di = di_beg, di_end + nodecoord(1) = x_cc(di) + nodecoord(2) = y_cc(dj) + nodecoord(3) = 0._wp + if (p > 0) nodecoord(3) = z_cc(dk) + + cellijk(1) = di + cellijk(2) = dj + cellijk(3) = dk + + Vol_loc = dx(cellijk(1))*dy(cellijk(2)) + if (num_dims == 3) Vol_loc = Vol_loc*dz(cellijk(3)) + + call s_applygaussian(center, cellijk, nodecoord, stddsv, 0._wp, func) + + weight = func/gauSum + + do field_ind = ind_start, ind_end + if (field_ind == alphaf_id_loc) then + addFun = weight*volpart + else if (field_ind == alphaupx_id_loc) then + addFun = weight*volpart*vp_x + else if (field_ind == alphaupy_id_loc) then + addFun = weight*volpart*vp_y + else if (field_ind == alphaupz_id_loc) then + addFun = weight*volpart*vp_z + else if (field_ind == alphaup2x_id_loc) then + addFun = weight*volpart*vp_x**2 + else if (field_ind == alphaup2y_id_loc) then + addFun = weight*volpart*vp_y**2 + else if (field_ind == alphaup2z_id_loc) then + addFun = weight*volpart*vp_z**2 + else if (field_ind == Smx_id_loc) then + weight = func/gauSum_sources + addFun = weight*fp_x + else if (field_ind == Smy_id_loc) then + weight = func/gauSum_sources + addFun = weight*fp_y + else if (field_ind == Smz_id_loc) then + weight = func/gauSum_sources + addFun = weight*fp_z + else if (field_ind == SE_id_loc) then + weight = func/gauSum_sources + addFun = 0._wp + end if + + $:GPU_ATOMIC(atomic='update') + updatedvar(field_ind)%sf(cellijk(1), cellijk(2), cellijk(3)) = updatedvar(field_ind)%sf(cellijk(1), & + & cellijk(2), cellijk(3)) + real(addFun, kind=stp) + end do + end do + end do + end do + + end subroutine s_gaussian_atomic + + !> The purpose of this subroutine is to apply the gaussian kernel function for each particle (Maeda and Colonius, 2018)). + subroutine s_applygaussian(center, cellaux, nodecoord, stddsv, strength_idx, func) + + $:GPU_ROUTINE(function_name='s_applygaussian',parallelism='[seq]', cray_inline=True) + + real(wp), dimension(3), intent(in) :: center + integer, dimension(3), intent(in) :: cellaux + real(wp), dimension(3), intent(in) :: nodecoord + real(wp), intent(in) :: stddsv + real(wp), intent(in) :: strength_idx + real(wp), intent(out) :: func + integer :: i + real(wp) :: distance + real(wp) :: theta, dtheta, L2, dzp, Lz2, zc + real(wp) :: Nr, Nr_count + + distance = sqrt((center(1) - nodecoord(1))**2._wp + (center(2) - nodecoord(2))**2._wp + (center(3) - nodecoord(3))**2._wp) + + if (num_dims == 3) then + !> 3D gaussian function + func = exp(-0.5_wp*(distance/stddsv)**2._wp)/(sqrt(2._wp*pi)*stddsv)**3._wp + else + if (cyl_coord) then + !> 2D cylindrical function: + ! We smear particles in the azimuthal direction for given r + theta = 0._wp + Nr = ceiling(2._wp*pi*nodecoord(2)/(y_cb(cellaux(2)) - y_cb(cellaux(2) - 1))) + dtheta = 2._wp*pi/Nr + L2 = center(2)**2._wp + nodecoord(2)**2._wp - 2._wp*center(2)*nodecoord(2)*cos(theta) + distance = sqrt((center(1) - nodecoord(1))**2._wp + L2) + ! Factor 2._wp is for symmetry (upper half of the 2D field (+r) is considered) + func = dtheta/2._wp/pi*exp(-0.5_wp*(distance/stddsv)**2._wp)/(sqrt(2._wp*pi)*stddsv)**3._wp + Nr_count = 0._wp + do while (Nr_count < Nr - 1._wp) + Nr_count = Nr_count + 1._wp + theta = Nr_count*dtheta + ! trigonometric relation + L2 = center(2)**2._wp + nodecoord(2)**2._wp - 2._wp*center(2)*nodecoord(2)*cos(theta) + distance = sqrt((center(1) - nodecoord(1))**2._wp + L2) + ! nodecoord(2)*dtheta is the azimuthal width of the cell + func = func + dtheta/2._wp/pi*exp(-0.5_wp*(distance/stddsv)**2._wp)/(sqrt(2._wp*pi)*stddsv) & + & **(3._wp*(strength_idx + 1._wp)) + end do + else + !> 2D cartesian function: Equation (48) from Maeda and Colonius 2018 + ! We smear particles considering a virtual depth (lag_params%charwidth) with lag_params%charNz cells + dzp = (lag_params%charwidth/(lag_params%charNz + 1._wp)) + + func = 0._wp + do i = 0, lag_params%charNz + zc = (-lag_params%charwidth/2._wp + dzp*(0.5_wp + i)) ! Center of virtual cell i in z-direction + Lz2 = (center(3) - zc)**2._wp + distance = sqrt((center(1) - nodecoord(1))**2._wp + (center(2) - nodecoord(2))**2._wp + Lz2) + func = func + dzp/lag_params%charwidth*exp(-0.5_wp*(distance/stddsv)**2._wp)/(sqrt(2._wp*pi)*stddsv)**3._wp + end do + end if + end if + + end subroutine s_applygaussian + + !> Calculates the standard deviation of the particle being smeared in the Eulerian framework. + !! @param cell Cell where the particle is located + !! @param volpart Volume of the particle + !! @param stddsv Standard deviaton + subroutine s_compute_stddsv(cell, volpart, stddsv) + + $:GPU_ROUTINE(function_name='s_compute_stddsv',parallelism='[seq]', cray_inline=True) + + integer, dimension(3), intent(in) :: cell + real(wp), intent(in) :: volpart + real(wp), intent(out) :: stddsv + real(wp) :: chardist, charvol + real(wp) :: rad + + !> Compute characteristic distance + chardist = sqrt(dx(cell(1))*dy(cell(2))) + if (p > 0) chardist = (dx(cell(1))*dy(cell(2))*dz(cell(3)))**(1._wp/3._wp) + + !> Compute characteristic volume + if (p > 0) then + charvol = dx(cell(1))*dy(cell(2))*dz(cell(3)) + else + if (cyl_coord) then + charvol = dx(cell(1))*dy(cell(2))*y_cc(cell(2))*2._wp*pi + else + charvol = dx(cell(1))*dy(cell(2))*lag_params%charwidth + end if + end if + + rad = (3._wp*volpart/(4._wp*pi))**(1._wp/3._wp) + stddsv = lag_params%epsilonb*max(chardist, rad) + + end subroutine s_compute_stddsv + + !> The purpose of this subroutine is to check if the current cell is outside the computational domain or not (including ghost + !! cells). + !! @param cellaux Tested cell to smear the particle effect in. + !! @param celloutside If true, then cellaux is outside the computational domain. + subroutine s_check_celloutside(cellaux, celloutside) + + $:GPU_ROUTINE(function_name='s_check_celloutside',parallelism='[seq]', cray_inline=True) + + integer, dimension(3), intent(inout) :: cellaux + logical, intent(out) :: celloutside + + celloutside = .false. + + if (num_dims == 2) then + if ((cellaux(1) < -buff_size) .or. (cellaux(2) < -buff_size)) then + celloutside = .true. + end if + + if ((cellaux(1) > m + buff_size) .or. (cellaux(2) > n + buff_size)) then + celloutside = .true. + end if + else + if ((cellaux(1) < -buff_size) .or. (cellaux(2) < -buff_size) .or. (cellaux(3) < -buff_size)) then + celloutside = .true. + end if + + if ((cellaux(1) > m + buff_size) .or. (cellaux(2) > n + buff_size) .or. (cellaux(3) > p + buff_size)) then + celloutside = .true. + end if + end if + + end subroutine s_check_celloutside + + !> This subroutine transforms the computational coordinates of the particle from real type into integer. + !! @param s Computational coordinates of the particle, real type + !! @param get_cell Computational coordinates of the particle, integer type + subroutine s_get_cell(s_cell, get_cell) + + $:GPU_ROUTINE(function_name='s_get_cell',parallelism='[seq]', cray_inline=True) + + real(wp), dimension(3), intent(in) :: s_cell + integer, dimension(3), intent(out) :: get_cell + integer :: i + + get_cell(:) = int(s_cell(:)) + do i = 1, num_dims + if (s_cell(i) < 0._wp) get_cell(i) = get_cell(i) - 1 + end do + + end subroutine s_get_cell + + !> The purpose of this procedure is to calculate the characteristic cell volume + !! @param cell Computational coordinates (x, y, z) + !! @param Charvol Characteristic volume + subroutine s_get_char_vol(cellx, celly, cellz, Charvol) + + $:GPU_ROUTINE(function_name='s_get_char_vol',parallelism='[seq]', cray_inline=True) + + integer, intent(in) :: cellx, celly, cellz + real(wp), intent(out) :: Charvol + + if (p > 0) then + Charvol = dx(cellx)*dy(celly)*dz(cellz) + else + if (cyl_coord) then + Charvol = dx(cellx)*dy(celly)*y_cc(celly)*2._wp*pi + else + Charvol = dx(cellx)*dy(celly)*lag_params%charwidth + end if + end if + + end subroutine s_get_char_vol + + !! This function calculates the force on a particle based on the pressure gradient, velocity, and drag model. + !! @param pos Position of the particle + !! @param rad Radius of the particle + !! @param vel_p Velocity of the particle + !! @param mass_p Particle mass + !! @param Re Viscosity! + !! @param rho Density of the fluid + !! @param vol_frac Particle Volume Fraction + !! @param cell Computational coordinates of the particle + !! @param q_prim_vf Eulerian field with primitive variables + !! @return a Acceleration of the particle in direction i + subroutine s_get_particle_force(pos, rad, vel_p, mass_p, Re, gamm, seed, fqsfluct, cell, q_prim_vf, q_cons_vf, q_particles, & + & fieldvars, rhs_old, duidxj_id_loc, wx, wy, wz, force, rmass_add, new_seed, new_fqsfluct) + $:GPU_ROUTINE(parallelism='[seq]') + real(wp), intent(in) :: rad, mass_p, Re, gamm + real(wp), dimension(3), intent(in) :: pos + integer, dimension(3), intent(in) :: cell + integer, intent(in) :: seed + real(wp), dimension(3), intent(in) :: vel_p, fqsfluct + integer, dimension(3, 3), intent(in) :: duidxj_id_loc + type(scalar_field), dimension(:), intent(in) :: q_particles + type(scalar_field), dimension(:), intent(in) :: fieldvars + type(scalar_field), dimension(:), intent(in) :: wx, wy, wz + type(scalar_field), dimension(sys_size), intent(in) :: q_prim_vf + type(scalar_field), dimension(sys_size), intent(in) :: q_cons_vf + type(scalar_field), dimension(sys_size), intent(in) :: rhs_old + real(wp), dimension(3), intent(out) :: force, new_fqsfluct + real(wp), intent(out) :: rmass_add + integer, intent(out) :: new_seed + integer :: seed_loc + real(wp) :: a, vol, rho_fluid, pressure_fluid, alpha_f + real(wp), dimension(3) :: v_rel, dp + real(wp) :: particle_diam, gas_mu, vmag, cson + real(wp) :: slip_velocity_x, slip_velocity_y, slip_velocity_z, beta + real(wp) :: vol_frac + real(wp), dimension(3) :: fluid_vel + integer :: dir, l + + ! Added pass params + real(wp) :: mach, Cam, flux_f, flux_b, SDrho, vrel_gradrho, drhodt + real(wp), dimension(3) :: rhoDuDt, grad_rho, fam, udot_gradu + integer, dimension(3) :: p1 + + ! QS Fluct + real(wp), dimension(3) :: vel_p_mean, vel2_p_mean + + ! Suth + real(wp) :: fluid_temp, R_fluid, suth, tref + + force = 0._wp + dp = 0._wp + grad_rho = 0._wp + fam = 0._wp + fluid_vel = 0._wp + v_rel = 0._wp + rhoDuDt = 0._wp + SDrho = 0._wp + + udot_gradu = 0._wp + + vel_p_mean = 0._wp + vel2_p_mean = 0._wp + + !!Interpolation - either even ordered barycentric or 0th order + if (lag_params%interpolation_order > 1) then + rho_fluid = f_interp_barycentric(pos, cell, q_prim_vf, 1, wx, wy, wz) + pressure_fluid = f_interp_barycentric(pos, cell, q_prim_vf, E_idx, wx, wy, wz) + alpha_f = f_interp_barycentric(pos, cell, q_particles, alphaf_id_loc, wx, wy, wz) + vol_frac = 1._wp - alpha_f + + do dir = 1, num_dims + vel_p_mean(dir) = f_interp_barycentric(pos, cell, q_particles, alphaupx_id_loc + dir - 1, wx, wy, & + & wz)/max(vol_frac, 1.e-12_wp) + vel2_p_mean(dir) = f_interp_barycentric(pos, cell, q_particles, alphaup2x_id_loc + dir - 1, wx, wy, & + & wz)/max(vol_frac, 1.e-12_wp) + fluid_vel(dir) = f_interp_barycentric(pos, cell, q_prim_vf, momxb + dir - 1, wx, wy, wz) + end do + + if (lag_params%added_mass_model > 0) then + drhodt = rhs_old(1)%sf(cell(1), cell(2), cell(3)) + end if + + do dir = 1, num_dims + if (lag_params%pressure_force .or. lag_params%added_mass_model > 0) then + dp(dir) = f_interp_barycentric(pos, cell, fieldvars, dPx_id_loc + dir - 1, wx, wy, wz) + end if + if (lag_params%added_mass_model > 0) then + grad_rho(dir) = f_interp_barycentric(pos, cell, fieldvars, drhox_id_loc + dir - 1, wx, wy, wz) + rhoDuDt(dir) = (rhs_old(momxb + dir - 1)%sf(cell(1), cell(2), cell(3)) - fluid_vel(dir)*drhodt)/rho_fluid + do l = 1, num_dims + udot_gradu(dir) = udot_gradu(dir) + fluid_vel(l)*f_interp_barycentric(pos, cell, fieldvars, & + & duidxj_id_loc(dir, l), wx, wy, wz) + end do + end if + end do + else + rho_fluid = q_prim_vf(1)%sf(cell(1), cell(2), cell(3)) + pressure_fluid = q_prim_vf(E_idx)%sf(cell(1), cell(2), cell(3)) + alpha_f = q_particles(alphaf_id_loc)%sf(cell(1), cell(2), cell(3)) + vol_frac = 1._wp - alpha_f + + do dir = 1, num_dims + vel_p_mean(dir) = q_particles(alphaupx_id_loc + dir - 1)%sf(cell(1), cell(2), cell(3))/max(vol_frac, 1.e-12_wp) + vel2_p_mean(dir) = q_particles(alphaup2x_id_loc + dir - 1)%sf(cell(1), cell(2), cell(3))/max(vol_frac, 1.e-12_wp) + fluid_vel(dir) = q_prim_vf(momxb + dir - 1)%sf(cell(1), cell(2), cell(3)) + end do + + if (lag_params%added_mass_model > 0) then + drhodt = rhs_old(1)%sf(cell(1), cell(2), cell(3)) + end if + + do dir = 1, num_dims + if (lag_params%pressure_force .or. lag_params%added_mass_model > 0) then + dp(dir) = fieldvars(dPx_id_loc + dir - 1)%sf(cell(1), cell(2), cell(3)) + end if + if (lag_params%added_mass_model > 0) then + grad_rho(dir) = fieldvars(drhox_id_loc + dir - 1)%sf(cell(1), cell(2), cell(3)) + rhoDuDt(dir) = (rhs_old(momxb + dir - 1)%sf(cell(1), cell(2), cell(3)) - fluid_vel(dir)*drhodt)/rho_fluid + do l = 1, num_dims + udot_gradu(dir) = udot_gradu(dir) + fluid_vel(l)*fieldvars(duidxj_id_loc(dir, l))%sf(cell(1), cell(2), & + & cell(3)) + end do + end if + end do + end if + + v_rel = vel_p - fluid_vel + + if (lag_params%qs_drag_model > 0 .or. lag_params%added_mass_model > 0) then + ! Quasi-steady Drag Force Parameters + slip_velocity_x = fluid_vel(1) - vel_p(1) + slip_velocity_y = fluid_vel(2) - vel_p(2) + if (num_dims == 3) then + slip_velocity_z = fluid_vel(3) - vel_p(3) + vmag = sqrt(slip_velocity_x*slip_velocity_x + slip_velocity_y*slip_velocity_y + slip_velocity_z*slip_velocity_z) + else if (num_dims == 2) then + vmag = sqrt(slip_velocity_x*slip_velocity_x + slip_velocity_y*slip_velocity_y) + end if + particle_diam = rad*2._wp + if (rho_fluid > 0._wp) then + cson = sqrt((gamm*pressure_fluid)/rho_fluid) + else + cson = 1._wp + end if + gas_mu = Re + + if (.not. viscous) then + tref = 273.15_wp + R_fluid = 287.05_wp ! J/kg-K for Air + suth = 110.4_wp + fluid_temp = pressure_fluid/(rho_fluid*R_fluid) + + gas_mu = gas_mu*sqrt(fluid_temp/tref)*(1.0_wp + suth/tref)/(1.0_wp + suth/fluid_temp) + end if + end if + + if (lag_params%added_mass_model > 0) then + rhoDuDt = rho_fluid*(rhoDuDt + udot_gradu) + vrel_gradrho = dot_product(-v_rel, grad_rho) + SDrho = drhodt + vel_p(1)*grad_rho(1) + vel_p(2)*grad_rho(2) + vel_p(3)*grad_rho(3) + mach = vmag/cson + end if + + ! Step 1: Force component quasi-steady + if (lag_params%qs_drag_model == 1) then + beta = QS_Parmar(rho_fluid, cson, gas_mu, gamm, vmag, particle_diam, vol_frac) + force = force - beta*v_rel + else if (lag_params%qs_drag_model == 2) then + beta = QS_Osnes(rho_fluid, cson, gas_mu, gamm, vmag, particle_diam, vol_frac) + force = force - beta*v_rel + else if (lag_params%qs_drag_model == 3) then + beta = QS_ModifiedParmar(rho_fluid, cson, gas_mu, gamm, vmag, particle_diam, vol_frac) + force = force - beta*v_rel + else if (lag_params%qs_drag_model == 4) then + beta = QS_Gidaspow(rho_fluid, cson, gas_mu, gamm, vmag, particle_diam, vol_frac) + force = force - beta*v_rel + else + ! No Quasi-Steady drag + end if + + ! Step 1.1: Stokes drag + if (lag_params%stokes_drag == 1) then ! Free slip Stokes drag + force = force - 4._wp*pi*gas_mu*rad*v_rel + else if (lag_params%stokes_drag == 2) then ! No slip Stokes drag + force = force - 6._wp*pi*gas_mu*rad*v_rel + else + ! No stokes drag + end if + + ! Step 2: Pressure Gradient Force + if (lag_params%pressure_force) then + vol = (4._wp/3._wp)*pi*(rad**3._wp) + force = force - vol*dp + end if + + ! Step 3: Gravitational Force + if (lag_params%gravity_force) then + force = force + (mass_p)*accel_bf + end if + + ! Step 4: Added Mass Force + if (lag_params%added_mass_model == 1) then + vol = (4._wp/3._wp)*pi*(rad**3._wp) + if (mach > 0.6_wp) then + Cam = 1._wp + 1.8_wp*(0.6_wp**2) + 7.6_wp*(0.6_wp**4) + else + Cam = 1._wp + 1.8_wp*mach**2 + 7.6_wp*mach**4 + end if + + Cam = 0.5_wp*Cam*(1._wp + 0.68_wp*vol_frac**2) + rmass_add = rho_fluid*vol*Cam + + fam = Cam*vol*(-v_rel*SDrho + rhoDuDt + fluid_vel*(vrel_gradrho)) + + do dir = 1, num_dims + if (.not. ieee_is_finite(fam(dir))) then + fam(dir) = 0._wp + rmass_add = 0._wp + end if + end do + force = force + fam + else + rmass_add = 0._wp + end if + + if (lag_params%qs_fluct_force) then + ! Step 5: QS Fluctuations + !> New addition: QS Fluctuations + seed_loc = seed + call s_compute_qs_fluctuations(vel_p, fluid_vel, rho_fluid, cson, gas_mu, particle_diam, vol_frac, vmag, vel_p_mean, & + & vel2_p_mean, seed_loc, fqsfluct, dt, new_fqsfluct) + force = force + new_fqsfluct + new_seed = seed_loc + !> + end if + + do dir = 1, num_dims + if (.not. ieee_is_finite(force(dir))) then + force(dir) = 0._wp + end if + end do + + end subroutine s_get_particle_force + + ! Quasi-steady force fluctuations Osnes, Vartdal, Khalloufi, Capecelatro (2023) Comprehensive quasi-steady force correlations + ! for compressible flow through random particle suspensions. International Journal of Multiphase Flows, Vo. 165, 104485. + ! Lattanzi, Tavanashad, Subramaniam, Capecelatro (2022) Stochastic model for the hydrodynamic force in Euler-Lagrange + ! silumations of particle-laden flows. Physical Review Fluids, Vol. 7, 014301. Note: To compute the granular temperature, we + ! assume the velocity fluctuations are uncorrelated. Note: The means are computed using a box filter with an adaptive filter + ! width. Compute mean using box filter for langevin model - not for feedback + ! + ! The mean is calculated according to Lattanzi etal, Physical Review Fluids, 2022. + subroutine s_compute_qs_fluctuations(vel_p, fluid_vel, rho_fluid, cson, gas_mu, particle_diam, vol_frac, vmag, vel_p_mean, & + & vel2_p_mean, seed, fqs_fluct_old, dt_loc, fqs_fluct_new) + $:GPU_ROUTINE(parallelism='[seq]') + + real(wp), dimension(3), intent(in) :: vel_p, fluid_vel + real(wp), intent(in) :: rho_fluid, cson, gas_mu, particle_diam, vol_frac, vmag + real(wp), dimension(3), intent(in) :: vel_p_mean, vel2_p_mean + integer, intent(inout) :: seed + real(wp), dimension(3), intent(in) :: fqs_fluct_old + real(wp), intent(in) :: dt_loc + real(wp), dimension(3), intent(out) :: fqs_fluct_new + real(wp) :: upmean, vpmean, wpmean + real(wp) :: u2pmean, v2pmean, w2pmean + real(wp) :: rphip, rep, rmachp, theta, chi, tF_inv + real(wp) :: fq, bq, Fs, sigD, sigT + real(wp) :: aSDE, bSDE_CD, bSDE_CL + real(wp) :: CD_prime, CD_frac, sigmoid_cf, f_CF + real(wp) :: Z1, Z2, dW1, dW2, cosrand, sinrand + real(wp), dimension(3) :: avec, bvec, cvec, dvec, eunit + real(wp), dimension(3) :: slip_vel + real(wp) :: denum, TwoPi + real(wp), dimension(5) :: UnifRnd + + fqs_fluct_new = 0._wp + + upmean = vel_p_mean(1) + vpmean = vel_p_mean(2) + wpmean = vel_p_mean(3) + + u2pmean = vel2_p_mean(1) + v2pmean = vel2_p_mean(2) + w2pmean = vel2_p_mean(3) + + TwoPi = 2._wp*pi + + ! Particle phase properties + rphip = vol_frac ! particle volume fraction + slip_vel = fluid_vel - vel_p + + ! Particle Reynolds number + rep = rho_fluid*vmag*particle_diam/gas_mu + + ! Particle Mach number + rmachp = vmag/cson + + ! Granular temperature from Eulerian fields \theta = ( - ^2) / 3 + theta = ((u2pmean + v2pmean + w2pmean) - (upmean**2 + vpmean**2 + wpmean**2))/3._wp + + if (theta <= 1.e-12_wp) theta = 0._wp + + ! Fluctuating drag magnitude (Osnes Eqs 9-12) + fq = 6.52_wp*rphip - 22.56_wp*(rphip**2) + 49.90_wp*(rphip**3) + Fs = 3._wp*pi*gas_mu*particle_diam*(1._wp + 0.15_wp*((rep*(1._wp - rphip))**0.687_wp))*(1._wp - rphip)*vmag + bq = min(sqrt(20._wp*rmachp), 1._wp)*0.55_wp*(rphip**0.7_wp)*(1._wp + tanh((rmachp - 0.5_wp)/0.2_wp)) + sigD = (fq + bq)*Fs + + ! Granular kinetic theory relaxation rate + chi = (1._wp + 2.50_wp*rphip + 4.51_wp*(rphip**2) + 4.52_wp*(rphip**3))/((1._wp - (rphip/0.64_wp)**3)**0.68_wp) + tF_inv = (24._wp*rphip*chi/particle_diam)*sqrt(theta/pi) + + ! SDE coefficients + aSDE = tF_inv + bSDE_CD = sigD*sqrt(2._wp*tF_inv) + + ! Unit slip velocity direction + if (vmag > 1.e-8_wp) then + avec = slip_vel/vmag + + ! Project old fluctuating force onto slip direction + CD_prime = fqs_fluct_old(1)*avec(1) + fqs_fluct_old(2)*avec(2) + fqs_fluct_old(3)*avec(3) + CD_frac = CD_prime/max(sigD, 1.e-30_wp) + else + avec = [1._wp, 0._wp, 0._wp] + CD_prime = 0._wp + sigD = 0._wp + CD_frac = 0._wp + end if + + ! Perpendicular fluctuation magnitude + sigmoid_cf = 1._wp/(1._wp + exp(-CD_frac)) + f_CF = 0.39356905_wp*sigmoid_cf + 0.43758848_wp + sigT = f_CF*sigD + bSDE_CL = sigT*sqrt(2._wp*tF_inv) + + ! Build orthogonal basis + eunit = [1._wp, 0._wp, 0._wp] + if (abs(avec(2)) + abs(avec(3)) <= 1.e-8_wp) then + eunit = [0._wp, 1._wp, 0._wp] + else if (abs(avec(1)) + abs(avec(3)) <= 1.e-8_wp) then + eunit = [0._wp, 0._wp, 1._wp] + end if + + ! bvec = avec x eunit + bvec(1) = avec(2)*eunit(3) - avec(3)*eunit(2) + bvec(2) = avec(3)*eunit(1) - avec(1)*eunit(3) + bvec(3) = avec(1)*eunit(2) - avec(2)*eunit(1) + denum = max(1.e-8_wp, sqrt(bvec(1)**2 + bvec(2)**2 + bvec(3)**2)) + bvec = bvec/denum + + ! cvec = avec x bvec + cvec(1) = avec(2)*bvec(3) - avec(3)*bvec(2) + cvec(2) = avec(3)*bvec(1) - avec(1)*bvec(3) + cvec(3) = avec(1)*bvec(2) - avec(2)*bvec(1) + denum = max(1.e-8_wp, sqrt(cvec(1)**2 + cvec(2)**2 + cvec(3)**2)) + cvec = cvec/denum + + ! Generate random numbers + UnifRnd(1) = f_model_random_number(seed) + UnifRnd(2) = f_model_random_number(seed) + UnifRnd(3) = f_model_random_number(seed) + UnifRnd(4) = f_model_random_number(seed) + UnifRnd(5) = f_model_random_number(seed) + + UnifRnd(1) = max(UnifRnd(1), 1.e-30_wp) + UnifRnd(3) = max(UnifRnd(3), 1.e-30_wp) + + ! Box-Muller transform + Z1 = sqrt(-2._wp*log(UnifRnd(1)))*cos(TwoPi*UnifRnd(2)) + Z2 = sqrt(-2._wp*log(UnifRnd(3)))*cos(TwoPi*UnifRnd(4)) + + ! Scaled stochastic increments + dW1 = sqrt(dt_loc)*Z1 + dW2 = sqrt(dt_loc)*Z2 + + ! Random perpendicular direction + cosrand = cos(TwoPi*UnifRnd(5)) + sinrand = sin(TwoPi*UnifRnd(5)) + dvec = bvec*cosrand + cvec*sinrand + denum = max(1.e-8_wp, sqrt(dvec(1)**2 + dvec(2)**2 + dvec(3)**2)) + dvec = dvec/denum + + ! Ornstein-Uhlenbeck update + fqs_fluct_new(1) = (1._wp - aSDE*dt_loc)*fqs_fluct_old(1) + bSDE_CD*dW1*avec(1) + bSDE_CL*dW2*dvec(1) + fqs_fluct_new(2) = (1._wp - aSDE*dt_loc)*fqs_fluct_old(2) + bSDE_CD*dW1*avec(2) + bSDE_CL*dW2*dvec(2) + if (num_dims == 3) then + fqs_fluct_new(3) = (1._wp - aSDE*dt_loc)*fqs_fluct_old(3) + bSDE_CD*dW1*avec(3) + bSDE_CL*dW2*dvec(3) + end if + + end subroutine s_compute_qs_fluctuations + + !> Interpolate an Eulerian field to a particle position using barycentric Lagrange interpolation with precomputed weights. Falls + !! back to nearest-cell value if the interpolant is non-finite. + !! @param pos Particle position + !! @param cell Grid cell containing the particle + !! @param field_vf Eulerian field to interpolate + !! @param field_index Component index in field_vf + function f_interp_barycentric(pos, cell, field_vf, field_index, wx, wy, wz) result(val) + + $:GPU_ROUTINE(parallelism='[seq]') + + real(wp), dimension(3), intent(in) :: pos + integer, dimension(3), intent(in) :: cell + type(scalar_field), dimension(:), intent(in) :: field_vf + type(scalar_field), dimension(:), intent(in) :: wx, wy, wz + integer, intent(in) :: field_index + integer :: i, j, k, ix, jy, kz, npts, npts_z, N, a, b + integer :: ix_count, jy_count, kz_count + real(wp) :: weight, numerator, denominator, xBar, eps + real(wp) :: val, local_min, local_max, prod_x, prod_y, prod_z + + i = cell(1) + j = cell(2) + k = cell(3) + + N = lag_params%interpolation_order + npts = N/2 + npts_z = npts + if (num_dims == 2) npts_z = 0 + eps = 1.e-12_wp + numerator = 0._wp + denominator = 0._wp + + ! if (abs(pos(1) - x_cc(i)) <= eps .and. & abs(pos(2) - y_cc(j)) <= eps .and. & abs(pos(3) - z_cc(k)) <= eps) then val = + ! field_vf(field_index)%sf(i, j, k) return end if + + ix_count = 0 + do ix = i - npts, i + npts + ix_count = ix_count + 1 + jy_count = 0 + do jy = j - npts, j + npts + jy_count = jy_count + 1 + kz_count = 0 + do kz = k - npts_z, k + npts_z + kz_count = kz_count + 1 + if (num_dims == 3) then + xBar = (pos(1) - x_cc(ix))*(pos(2) - y_cc(jy))*(pos(3) - z_cc(kz)) + weight = wx(ix_count)%sf(i, 1, 1)*wy(jy_count)%sf(j, 1, 1)*wz(kz_count)%sf(k, 1, 1) + else + xBar = (pos(1) - x_cc(ix))*(pos(2) - y_cc(jy)) + weight = wx(ix_count)%sf(i, 1, 1)*wy(jy_count)%sf(j, 1, 1) + end if + weight = weight/xBar + numerator = numerator + weight*field_vf(field_index)%sf(ix, jy, kz) + denominator = denominator + weight + end do + end do + end do + + val = numerator/denominator + + if (.not. ieee_is_finite(val)) then + val = field_vf(field_index)%sf(i, j, k) + else if (abs(val) <= eps) then + val = 0._wp + end if + + end function f_interp_barycentric + + ! Quasi-steady force (Re_p and Ma_p corrections): Improved Drag Correlation for Spheres and Application to Shock-Tube + ! Experiments - Parmar et al. (2010) - AIAA Journal + ! + ! Quasi-steady force (phi corrections): The Added Mass, Basset, and Viscous Drag Coefficients in Nondilute Bubbly Liquids + ! Undergoing Small-Amplitude Oscillatory Motion - Sangani et al. (1991) - Phys. Fluids A + function QS_Parmar(rho, cson, mu_fluid, gamma, vmag, dp, volume_fraction) result(beta) + + $:GPU_ROUTINE(parallelism='[seq]') + real(wp), intent(in) :: rho, cson, mu_fluid, gamma, vmag, dp, volume_fraction + real(wp) :: rcd1, rmacr, rcd_mcr, rcd_std, rmach_rat, rcd_M1 + real(wp) :: rcd_M2, C1, C2, C3, f1M, f2M, f3M, lrep, factor, cd, phi_corr + real(wp) :: beta + real(wp) :: rmachp, mp, phi, rep, re + + rmachp = vmag/cson + mp = max(rmachp, 0.01_wp) + phi = max(volume_fraction, 0.0001_wp) + rep = vmag*dp*rho/mu_fluid + re = max(rep, 0.1_wp) + + if (re < 1.e-14_wp) then + rcd1 = 1.0_wp + else + rmacr = 0.6_wp ! Critical rmachp no + rcd_mcr = (1._wp + 0.15_wp*re**(0.684_wp)) + (re/24.0_wp)*(0.513_wp/(1._wp + 483._wp/re**(0.669_wp))) + if (mp <= rmacr) then + rcd_std = (1._wp + 0.15_wp*re**(0.687_wp)) + (re/24.0_wp)*(0.42_wp/(1._wp + 42500._wp/re**(1.16_wp))) + rmach_rat = mp/rmacr + rcd1 = rcd_std + (rcd_mcr - rcd_std)*rmach_rat + else if (mp <= 1.0_wp) then + rcd_M1 = (1.0_wp + 0.118_wp*re**0.813_wp) + (re/24.0_wp)*0.69_wp/(1.0_wp + 3550.0_wp/re**0.793_wp) + C1 = 6.48_wp + C2 = 9.28_wp + C3 = 12.21_wp + f1M = -1.884_wp + 8.422_wp*mp - 13.70_wp*mp**2 + 8.162_wp*mp**3 + f2M = -2.228_wp + 10.35_wp*mp - 16.96_wp*mp**2 + 9.840_wp*mp**3 + f3M = 4.362_wp - 16.91_wp*mp + 19.84_wp*mp**2 - 6.296_wp*mp**3 + lrep = log(re) + factor = f1M*(lrep - C2)*(lrep - C3)/((C1 - C2)*(C1 - C3)) + f2M*(lrep - C1)*(lrep - C3)/((C2 - C1)*(C2 - C3)) & + & + f3M*(lrep - C1)*(lrep - C2)/((C3 - C1)*(C3 - C2)) + rcd1 = rcd_mcr + (rcd_M1 - rcd_mcr)*factor + else if (mp < 1.75_wp) then + rcd_M1 = (1.0_wp + 0.118_wp*re**0.813_wp) + (re/24.0_wp)*0.69_wp/(1.0_wp + 3550.0_wp/re**0.793_wp) + rcd_M2 = (1.0_wp + 0.107_wp*re**0.867_wp) + (re/24.0_wp)*0.646_wp/(1.0_wp + 861.0_wp/re**0.634_wp) + C1 = 6.48_wp + C2 = 8.93_wp + C3 = 12.21_wp + f1M = -2.963_wp + 4.392_wp*mp - 1.169_wp*mp**2 - 0.027_wp*mp**3 - 0.233_wp*exp((1.0_wp - mp)/0.011_wp) + f2M = -6.617_wp + 12.11_wp*mp - 6.501_wp*mp**2 + 1.182_wp*mp**3 - 0.174_wp*exp((1.0_wp - mp)/0.010_wp) + f3M = -5.866_wp + 11.57_wp*mp - 6.665_wp*mp**2 + 1.312_wp*mp**3 - 0.350_wp*exp((1.0_wp - mp)/0.012_wp) + lrep = log(re) + factor = f1M*(lrep - C2)*(lrep - C3)/((C1 - C2)*(C1 - C3)) + f2M*(lrep - C1)*(lrep - C3)/((C2 - C1)*(C2 - C3)) & + & + f3M*(lrep - C1)*(lrep - C2)/((C3 - C1)*(C3 - C2)) + rcd1 = rcd_M1 + (rcd_M2 - rcd_M1)*factor + else + rcd1 = (1.0_wp + 0.107_wp*re**0.867_wp) + (re/24.0_wp)*0.646_wp/(1.0_wp + 861.0_wp/re**0.634_wp) + end if ! mp + end if ! re + + ! Sangani's volume fraction correction for dilute random arrays Capping volume fraction at 0.5 + phi_corr = (1.0_wp + 5.94_wp*min(phi, 0.5_wp)) + + cd = (24.0_wp/re)*rcd1*phi_corr + + beta = rcd1*3.0_wp*pi*mu_fluid*dp + + beta = beta*phi_corr + + end function QS_Parmar + + ! Quasi-steady force (Re_p and Ma_p corrections): Improved Drag Correlation for Spheres and Application to Shock-Tube + ! Experiments - Parmar et al. (2010) - AIAA Journal + ! + ! Quasi-steady force (phi corrections): Sangani et al. (1991) volume fraction correction overshoots the drag coefficient. + ! + ! We adopt instead Osnes et al. (2023) volume fraction correction based on Tenneti et al. with one extra term. + ! + ! At Mach=0, the drag coefficient from this subroutine matches very well with the one calculated using the Osnes subroutine, for + ! various Reynolds numbers and volume fractions. + function QS_ModifiedParmar(rho, cson, mu_fluid, gamma, vmag, dp, volume_fraction) result(beta) + + $:GPU_ROUTINE(parallelism='[seq]') + real(wp), intent(in) :: rho, cson, mu_fluid, gamma, vmag, dp, volume_fraction + real(wp) :: rcd1, rmacr, rcd_mcr, rcd_std, rmach_rat, rcd_M1 + real(wp) :: rcd_M2, C1, C2, C3, f1M, f2M, f3M, lrep, factor, cd, phi_corr + real(wp) :: b1, b2, b3 + real(wp) :: beta + real(wp) :: rmachp, mp, phi, rep, re + + rmachp = vmag/cson + mp = max(rmachp, 0.01_wp) + phi = max(volume_fraction, 0.0001_wp) + rep = vmag*dp*rho/mu_fluid + re = max(rep, 0.1_wp) + + if (re < 1e-14_wp) then + rcd1 = 1.0_wp + else + rmacr = 0.6_wp ! Critical rmachp no. + rcd_mcr = (1._wp + 0.15_wp*re**(0.684_wp)) + (re/24.0_wp)*(0.513_wp/(1._wp + 483._wp/re**(0.669_wp))) + if (mp <= rmacr) then + rcd_std = (1._wp + 0.15_wp*re**(0.687_wp)) + (re/24.0_wp)*(0.42_wp/(1._wp + 42500._wp/re**(1.16_wp))) + rmach_rat = mp/rmacr + rcd1 = rcd_std + (rcd_mcr - rcd_std)*rmach_rat + else if (mp <= 1.0_wp) then + rcd_M1 = (1.0_wp + 0.118_wp*re**0.813_wp) + (re/24.0_wp)*0.69_wp/(1.0_wp + 3550.0_wp/re**0.793_wp) + C1 = 6.48_wp + C2 = 9.28_wp + C3 = 12.21_wp + f1M = -1.884_wp + 8.422_wp*mp - 13.70_wp*mp**2 + 8.162_wp*mp**3 + f2M = -2.228_wp + 10.35_wp*mp - 16.96_wp*mp**2 + 9.840_wp*mp**3 + f3M = 4.362_wp - 16.91_wp*mp + 19.84_wp*mp**2 - 6.296_wp*mp**3 + lrep = log(re) + factor = f1M*(lrep - C2)*(lrep - C3)/((C1 - C2)*(C1 - C3)) + f2M*(lrep - C1)*(lrep - C3)/((C2 - C1)*(C2 - C3)) & + & + f3M*(lrep - C1)*(lrep - C2)/((C3 - C1)*(C3 - C2)) + rcd1 = rcd_mcr + (rcd_M1 - rcd_mcr)*factor + else if (mp < 1.75_wp) then + rcd_M1 = (1.0_wp + 0.118_wp*re**0.813_wp) + (re/24.0_wp)*0.69_wp/(1.0_wp + 3550.0_wp/re**0.793_wp) + rcd_M2 = (1.0_wp + 0.107_wp*re**0.867_wp) + (re/24.0_wp)*0.646_wp/(1.0_wp + 861.0_wp/re**0.634_wp) + C1 = 6.48_wp + C2 = 8.93_wp + C3 = 12.21_wp + f1M = -2.963_wp + 4.392_wp*mp - 1.169_wp*mp**2 - 0.027_wp*mp**3 - 0.233_wp*exp((1.0_wp - mp)/0.011_wp) + f2M = -6.617_wp + 12.11_wp*mp - 6.501_wp*mp**2 + 1.182_wp*mp**3 - 0.174_wp*exp((1.0_wp - mp)/0.010_wp) + f3M = -5.866_wp + 11.57_wp*mp - 6.665_wp*mp**2 + 1.312_wp*mp**3 - 0.350_wp*exp((1.0_wp - mp)/0.012_wp) + lrep = log(re) + factor = f1M*(lrep - C2)*(lrep - C3)/((C1 - C2)*(C1 - C3)) + f2M*(lrep - C1)*(lrep - C3)/((C2 - C1)*(C2 - C3)) & + & + f3M*(lrep - C1)*(lrep - C2)/((C3 - C1)*(C3 - C2)) + rcd1 = rcd_M1 + (rcd_M2 - rcd_M1)*factor + else + rcd1 = (1.0_wp + 0.107_wp*re**0.867_wp) + (re/24.0_wp)*0.646_wp/(1.0_wp + 861.0_wp/re**0.634_wp) + end if ! mp + end if ! re + + ! Osnes's volume fraction correction + b1 = 5.81_wp*phi/((1.0_wp - phi)**2) + 0.48_wp*(phi**(1._wp/3._wp))/((1.0_wp - phi)**3) + + b2 = ((1.0_wp - phi)**2)*(phi**3)*re*(0.95_wp + 0.61_wp*(phi**3)/((1.0_wp - phi)**2)) + + b3 = min(sqrt(20.0_wp*mp), & + & 1.0_wp)*(5.65_wp*phi - 22.0_wp*(phi**2) + 23.4_wp*(phi**3))*(1._wp + tanh((mp - (0.65_wp - 0.24_wp*phi)) & + & /0.35_wp)) + + cd = (24.0_wp/re)*rcd1 + + cd = cd/(1.0_wp - phi) + b3 + (24.0_wp/re)*(1.0_wp - phi)*(b1 + b2) + + beta = 3.0_wp*pi*mu_fluid*dp*(re/24.0_wp)*cd + + end function QS_ModifiedParmar + + ! QS Force calculated as a function of Re, Ma and phi + ! + ! Use Osnes etal (2023) correlations A.N. Osnes, M. Vartdal, M. Khalloufi, J. Capecelatro, and S. Balachandar. Comprehensive + ! quasi-steady force correlations for compressible flow through random particle suspensions. International Journal of Multiphase + ! Flow, Vol. 165, 104485, (2023). doi: https://doi.org/10.1016/j.imultiphaseflow.2023.104485. + ! + ! E. Loth, J.T. Daspit, M. Jeong, T. Nagata, and T. Nonomura. Supersonic and hypersonic drag coefficients for a sphere. AIAA + ! Journal, Vol. 59(8), pp. 3261-3274, (2021). doi: https://doi.org/10.2514/1.J060153. + ! + ! NOTE: Re<45 Rarefied formula of Loth et al has been redefined by Balachandar to avoid singularity as Ma -> 0. + function QS_Osnes(rho, cson, mu_fluid, gamma, vmag, dp, volume_fraction) result(beta) + + $:GPU_ROUTINE(parallelism='[seq]') + real(wp), intent(in) :: rho, cson, mu_fluid, gamma, vmag, dp, volume_fraction + real(wp) :: rmachp, mp, phi, rep, re + real(wp) :: Knp, fKn, CD1, s, JM, CD2, cd_loth, CM, GM, HM, b1, b2, b3, cd, sgby2, JMt + real(wp) :: beta + + rmachp = vmag/cson + mp = max(rmachp, 0.01_wp) + phi = max(volume_fraction, 0.0001_wp) + rep = vmag*dp*rho/mu_fluid + re = max(rep, 0.1_wp) + + ! Loth's correlation + if (re <= 45.0_wp) then + ! Rarefied-dominated regime + Knp = sqrt(0.5_wp*pi*gamma)*mp/re + if (Knp > 0.01_wp) then + fKn = 1.0_wp/(1.0_wp + Knp*(2.514_wp + 0.8_wp*exp(-0.55_wp/Knp))) + else + fKn = 1.0_wp/(1.0_wp + Knp*(2.514_wp + 0.8_wp*exp(-0.55_wp/0.01_wp))) + end if + CD1 = (24.0_wp/re)*(1.0_wp + 0.15_wp*re**(0.687_wp))*fKn + s = mp*sqrt(0.5_wp*gamma) + sgby2 = sqrt(0.5_wp*gamma) + if (mp <= 1._wp) then + ! JMt = 2.26_wp*(mp**4) - 0.1_wp*(mp**3) + 0.14_wp*mp + JMt = 2.26_wp*(mp**4) + 0.14_wp*mp + else + JMt = 1.6_wp*(mp**4) + 0.25_wp*(mp**3) + 0.11_wp*(mp**2) + 0.44_wp*mp + end if + ! + ! Reformulated version of Loth et al. to avoid singularity at mp = 0 + ! + CD2 = (1.0_wp + 2.0_wp*(s**2))*exp(-s**2)*mp/((sgby2**3)*sqrt(pi)) + (4.0_wp*(s**4) + 4.0_wp*(s**2) - 1.0_wp)*erf(s) & + & /(2.0_wp*(sgby2**4)) + (2.0_wp*(mp**3)/(3.0_wp*sgby2))*sqrt(pi) + + CD2 = CD2/(1.0_wp + (((CD2/JMt) - 1.0_wp)*sqrt(re/45.0_wp))) + cd_loth = CD1/(1.0_wp + (mp**4)) + CD2/(1.0_wp + (mp**4)) + else + ! Compression-dominated regime TLJ: coefficients tweaked to get continuous values on the two branches at the critical + ! points + if (mp < 1.5_wp) then + CM = 1.65_wp + 0.65_wp*tanh(4._wp*mp - 3.4_wp) + else + ! CM = 2.18_wp - 0.13_wp*tanh(0.9_wp*mp - 2.7_wp) + CM = 2.18_wp - 0.12913149918318745_wp*tanh(0.9_wp*mp - 2.7_wp) + end if + if (mp < 0.8_wp) then + GM = 166.0_wp*(mp**3) + 3.29_wp*(mp**2) - 10.9_wp*mp + 20._wp + else + ! GM = 5.0_wp + 40._wp*(mp**(-3)) + GM = 5.0_wp + 47.809331200000017_wp*(mp**(-3)) + end if + if (mp < 1._wp) then + HM = 0.0239_wp*(mp**3) + 0.212_wp*(mp**2) - 0.074_wp*mp + 1._wp + else + ! HM = 0.93_wp + 1.0_wp / (3.5_wp + (mp**5)) + HM = 0.93967777777777772_wp + 1.0_wp/(3.5_wp + (mp**5)) + end if + + cd_loth = (24.0_wp/re)*(1._wp + 0.15_wp*(re**(0.687_wp)))*HM + 0.42_wp*CM/(1._wp + 42500._wp/re**(1.16_wp*CM) & + & + GM/sqrt(re)) + end if + + b1 = 5.81_wp*phi/((1.0_wp - phi)**2) + 0.48_wp*(phi**(1._wp/3._wp))/((1.0_wp - phi)**3) + + b2 = ((1.0_wp - phi)**2)*(phi**3)*re*(0.95_wp + 0.61_wp*(phi**3)/((1.0_wp - phi)**2)) + + b3 = min(sqrt(20.0_wp*mp), & + & 1.0_wp)*(5.65_wp*phi - 22.0_wp*(phi**2) + 23.4_wp*(phi**3))*(1._wp + tanh((mp - (0.65_wp - 0.24_wp*phi)) & + & /0.35_wp)) + + cd = cd_loth/(1.0_wp - phi) + b3 + (24.0_wp/re)*(1.0_wp - phi)*(b1 + b2) + + beta = 3.0_wp*pi*mu_fluid*dp*(re/24.0_wp)*cd + + end function QS_Osnes + + ! Subroutine for Quasi-Steady Drag Model of Gidaspow + ! + ! D. Gidaspow, Multiphase Flow and Fluidization (Academic Press, 1994) + ! + ! Note: Model is provided per cell volume. We convert that to per particle using the particle volume fraction and volume + function QS_Gidaspow(rho, cson, mu_fluid, gamma, vmag, dp, volume_fraction) result(beta) + + $:GPU_ROUTINE(parallelism='[seq]') + real(wp), intent(in) :: rho, cson, mu_fluid, gamma, vmag, dp, volume_fraction + real(wp) :: cd, phifRep, phif + real(wp) :: phi, rep, re + real(wp) :: beta + + rep = vmag*dp*rho/mu_fluid + phi = max(volume_fraction, 0.0001_wp) + phif = max(1._wp - volume_fraction, 0.0001_wp) + re = max(rep, 0.1_wp) + + phifRep = phif*re + + if (phifRep < 1000.0_wp) then + cd = 24.0_wp/phifRep*(1.0_wp + 0.15_wp*(phifRep)**0.687_wp) + else + cd = 0.44_wp + end if + + if (phif < 0.8_wp) then + beta = 150.0_wp*((phi**2)*mu_fluid)/(phif*dp**2) + 1.75_wp*(rho*phi*vmag/dp) + else + beta = 0.75_wp*cd*phi*rho*vmag/(dp*phif**1.65_wp) + end if + + beta = beta*(pi*dp**3)/(6.0_wp*phi) + + end function QS_Gidaspow + +end module m_particles_EL_kernels diff --git a/src/simulation/m_rhs.fpp b/src/simulation/m_rhs.fpp index 1f347a0289..bdcf8c8fb5 100644 --- a/src/simulation/m_rhs.fpp +++ b/src/simulation/m_rhs.fpp @@ -19,6 +19,7 @@ module m_rhs use m_cbc use m_bubbles_EE use m_bubbles_EL + use m_particles_EL use m_qbmm use m_hypoelastic use m_hyperelastic @@ -554,7 +555,6 @@ contains real(wp) :: t_start, t_finish integer :: id integer(kind=8) :: i, j, k, l, q !< Generic loop iterators - ! RHS: halo exchange -> reconstruct -> Riemann solve -> flux difference -> source terms call nvtxStartRange("COMPUTE-RHS") @@ -673,7 +673,6 @@ contains end if end if if ((.not. igr) .or. dummy) then ! Finite volume solve - ! Reconstructing Primitive/Conservative Variables call nvtxStartRange("RHS-WENO") @@ -751,6 +750,7 @@ contains irx%beg = 0; iry%beg = 0; irz%beg = -1 end if irx%end = m; iry%end = n; irz%end = p + ! Computing Riemann Solver Flux and Source Flux call nvtxStartRange("RHS-RIEMANN-SOLVER") call s_riemann_solver(qR_rsx_vf, qR_rsy_vf, qR_rsz_vf, dqR_prim_dx_n(id)%vf, dqR_prim_dy_n(id)%vf, & @@ -848,14 +848,31 @@ contains end if if (bubbles_lagrange) then - ! RHS additions for sub-grid bubbles_lagrange - call nvtxStartRange("RHS-EL-BUBBLES-SRC") - call s_compute_bubbles_EL_source(q_cons_qp%vf(1:sys_size), q_prim_qp%vf(1:sys_size), rhs_vf) - call nvtxEndRange - ! Compute bubble dynamics + ! RHS additions for sub-grid bubbles_lagrange Compute bubble dynamics if (.not. adap_dt) then call nvtxStartRange("RHS-EL-BUBBLES-DYN") - call s_compute_bubble_EL_dynamics(q_prim_qp%vf(1:sys_size), stage) + call s_compute_bubble_EL_dynamics(q_prim_qp%vf(1:sys_size), bc_type, stage) + call nvtxEndRange + end if + + if (lag_params%solver_approach == 2) then + call nvtxStartRange("RHS-EL-BUBBLES-SRC") + call s_compute_bubbles_EL_source(q_cons_qp%vf(1:sys_size), q_prim_qp%vf(1:sys_size), rhs_vf) + call nvtxEndRange + end if + end if + + if (particles_lagrange) then + ! Compute particle dynamics, forces, dvdt + call nvtxStartRange("RHS-EL-PARTICLES-DYN") + call s_compute_particle_EL_dynamics(q_cons_qp%vf(1:sys_size), q_prim_qp%vf(1:sys_size), bc_type, stage, qL_rsx_vf, & + & qL_rsy_vf, qL_rsz_vf, qR_rsx_vf, qR_rsy_vf, qR_rsz_vf, rhs_vf) + call nvtxEndRange + + ! RHS additions for sub-grid particles_lagrange + if (lag_params%solver_approach == 2) then + call nvtxStartRange("RHS-EL-PARTICLES-SRC") + call s_compute_particles_EL_source(q_cons_qp%vf(1:sys_size), q_prim_qp%vf(1:sys_size), rhs_vf, stage) call nvtxEndRange end if end if @@ -870,7 +887,7 @@ contains ! END: Additional physics and source terms - if (run_time_info .or. probe_wrt .or. ib .or. bubbles_lagrange) then + if (run_time_info .or. probe_wrt .or. ib .or. bubbles_lagrange .or. particles_lagrange) then if (.not. igr .or. dummy) then $:GPU_PARALLEL_LOOP(private='[i, j, k, l]', collapse=4) do i = 1, sys_size @@ -1010,7 +1027,7 @@ contains $:END_GPU_PARALLEL_LOOP() if (model_eqns == 3) then - $:GPU_PARALLEL_LOOP(collapse=4, private='[i_fluid_loop, k, l, q, inv_ds, advected_qty_val, pressure_val, & + $:GPU_PARALLEL_LOOP(collapse=4,private='[i_fluid_loop, k, l, q, inv_ds, advected_qty_val, pressure_val, & & flux_face1, flux_face2]') do l = 0, p do k = 0, n @@ -1106,7 +1123,7 @@ contains end if if (model_eqns == 3) then - $:GPU_PARALLEL_LOOP(collapse=4, private='[i_fluid_loop, k, l, q, inv_ds, advected_qty_val, pressure_val, & + $:GPU_PARALLEL_LOOP(collapse=4,private='[i_fluid_loop, k, l, q, inv_ds, advected_qty_val, pressure_val, & & flux_face1, flux_face2]') do k = 0, p do q = 0, n @@ -1133,7 +1150,6 @@ contains !> Add the advection source flux-difference terms for a single coordinate direction to the RHS subroutine s_add_directional_advection_source_terms(current_idir, rhs_vf_arg, q_cons_vf_arg, q_prim_vf_arg, & - & flux_src_n_vf_arg, Kterm_arg) integer, intent(in) :: current_idir type(scalar_field), dimension(sys_size), intent(inout) :: rhs_vf_arg diff --git a/src/simulation/m_sim_helpers.fpp b/src/simulation/m_sim_helpers.fpp index e20ec982fe..f20597d3ea 100644 --- a/src/simulation/m_sim_helpers.fpp +++ b/src/simulation/m_sim_helpers.fpp @@ -138,24 +138,25 @@ contains end subroutine s_compute_enthalpy !> Computes stability criterion for a specified dt - subroutine s_compute_stability_from_dt(vel, c, rho, Re_l, j, k, l, icfl_sf, vcfl_sf, Rc_sf) + !! @param icfl cell-centered inviscid cfl number + !! @param vcfl (optional) cell-centered viscous CFL number + !! @param Rc (optional) cell centered Rc + subroutine s_compute_stability_from_dt(vel, c, rho, Re_l, j, k, l, icfl, vcfl, Rc) $:GPU_ROUTINE(parallelism='[seq]') - real(wp), intent(in), dimension(num_vels) :: vel - real(wp), intent(in) :: c, rho - real(wp), dimension(0:m,0:n,0:p), intent(inout) :: icfl_sf - real(wp), dimension(0:m,0:n,0:p), intent(inout), optional :: vcfl_sf, Rc_sf - real(wp), dimension(2), intent(in) :: Re_l - integer, intent(in) :: j, k, l - real(wp) :: fltr_dtheta + real(wp), intent(in), dimension(num_vels) :: vel + real(wp), intent(in) :: c, rho + real(wp), intent(inout) :: icfl + real(wp), intent(inout), optional :: vcfl, Rc + real(wp), dimension(2), intent(in) :: Re_l + integer, intent(in) :: j, k, l + real(wp) :: fltr_dtheta ! Inviscid CFL calculation if (p > 0 .or. n > 0) then - ! 2D/3D - icfl_sf(j, k, l) = dt/f_compute_multidim_cfl_terms(vel, c, j, k, l) + icfl = dt/f_compute_multidim_cfl_terms(vel, c, j, k, l) else - ! 1D - icfl_sf(j, k, l) = (dt/dx(j))*(abs(vel(1)) + c) + icfl = (dt/dx(j))*(abs(vel(1)) + c) end if ! Viscous calculations @@ -165,23 +166,19 @@ contains ! 3D if (grid_geometry == 3) then fltr_dtheta = f_compute_filtered_dtheta(k, l) - vcfl_sf(j, k, l) = maxval(dt/Re_l/rho)/min(dx(j), dy(k), fltr_dtheta)**2._wp - Rc_sf(j, k, l) = min(dx(j)*(abs(vel(1)) + c), dy(k)*(abs(vel(2)) + c), & - & fltr_dtheta*(abs(vel(3)) + c))/maxval(1._wp/Re_l) + vcfl = maxval(dt/Re_l/rho)/min(dx(j), dy(k), fltr_dtheta)**2._wp + Rc = min(dx(j)*(abs(vel(1)) + c), dy(k)*(abs(vel(2)) + c), fltr_dtheta*(abs(vel(3)) + c))/maxval(1._wp/Re_l) else - vcfl_sf(j, k, l) = maxval(dt/Re_l/rho)/min(dx(j), dy(k), dz(l))**2._wp - Rc_sf(j, k, l) = min(dx(j)*(abs(vel(1)) + c), dy(k)*(abs(vel(2)) + c), & - & dz(l)*(abs(vel(3)) + c))/maxval(1._wp/Re_l) + vcfl = maxval(dt/Re_l/rho)/min(dx(j), dy(k), dz(l))**2._wp + Rc = min(dx(j)*(abs(vel(1)) + c), dy(k)*(abs(vel(2)) + c), dz(l)*(abs(vel(3)) + c))/maxval(1._wp/Re_l) end if #:endif else if (n > 0) then - ! 2D - vcfl_sf(j, k, l) = maxval(dt/Re_l/rho)/min(dx(j), dy(k))**2._wp - Rc_sf(j, k, l) = min(dx(j)*(abs(vel(1)) + c), dy(k)*(abs(vel(2)) + c))/maxval(1._wp/Re_l) + vcfl = maxval(dt/Re_l/rho)/min(dx(j), dy(k))**2._wp + Rc = min(dx(j)*(abs(vel(1)) + c), dy(k)*(abs(vel(2)) + c))/maxval(1._wp/Re_l) else - ! 1D - vcfl_sf(j, k, l) = maxval(dt/Re_l/rho)/dx(j)**2._wp - Rc_sf(j, k, l) = dx(j)*(abs(vel(1)) + c)/maxval(1._wp/Re_l) + vcfl = maxval(dt/Re_l/rho)/dx(j)**2._wp + Rc = dx(j)*(abs(vel(1)) + c)/maxval(1._wp/Re_l) end if end if @@ -191,13 +188,13 @@ contains subroutine s_compute_dt_from_cfl(vel, c, max_dt, rho, Re_l, j, k, l) $:GPU_ROUTINE(parallelism='[seq]') - real(wp), dimension(num_vels), intent(in) :: vel - real(wp), intent(in) :: c, rho - real(wp), dimension(0:m,0:n,0:p), intent(inout) :: max_dt - real(wp), dimension(2), intent(in) :: Re_l - integer, intent(in) :: j, k, l - real(wp) :: icfl_dt, vcfl_dt - real(wp) :: fltr_dtheta + real(wp), dimension(num_vels), intent(in) :: vel + real(wp), intent(in) :: c, rho + real(wp), intent(inout) :: max_dt + real(wp), dimension(2), intent(in) :: Re_l + integer, intent(in) :: j, k, l + real(wp) :: icfl_dt, vcfl_dt + real(wp) :: fltr_dtheta ! Inviscid CFL calculation if (p > 0 .or. n > 0) then @@ -227,10 +224,10 @@ contains end if end if - if (any(Re_size > 0)) then - max_dt(j, k, l) = min(icfl_dt, vcfl_dt) + if (viscous) then + max_dt = min(icfl_dt, vcfl_dt) else - max_dt(j, k, l) = icfl_dt + max_dt = icfl_dt end if end subroutine s_compute_dt_from_cfl diff --git a/src/simulation/m_start_up.fpp b/src/simulation/m_start_up.fpp index c3f38ef500..b93cd2a21d 100644 --- a/src/simulation/m_start_up.fpp +++ b/src/simulation/m_start_up.fpp @@ -31,6 +31,7 @@ module m_start_up use m_viscous use m_bubbles_EE use m_bubbles_EL + use m_particles_EL !< Lagrange particle dynamics routines use ieee_arithmetic use m_helper_basic use m_helper @@ -87,8 +88,6 @@ contains rdma_mpi, teno_CT, mp_weno, weno_avg, & riemann_solver, low_Mach, wave_speeds, avg_state, & bc_x, bc_y, bc_z, & - x_a, y_a, z_a, x_b, y_b, z_b, & - x_domain, y_domain, z_domain, & hypoelasticity, & ib, num_ibs, patch_ib, & ib_state_wrt, & @@ -110,7 +109,8 @@ contains & g_y, g_z, n_start, t_save, t_stop, cfl_adap_dt, cfl_const_dt, cfl_target, surface_tension, bubbles_lagrange, & & lag_params, hyperelasticity, R0ref, num_bc_patches, Bx0, cont_damage, tau_star, cont_damage_s, alpha_bar, & & hyper_cleaning, hyper_cleaning_speed, hyper_cleaning_tau, alf_factor, num_igr_iters, num_igr_warm_start_iters, & - & int_comp, ic_eps, ic_beta, nv_uvm_out_of_core, nv_uvm_igr_temps_on_gpu, nv_uvm_pref_gpu, down_sample, fft_wrt + & int_comp, ic_eps, ic_beta, nv_uvm_out_of_core, nv_uvm_igr_temps_on_gpu, nv_uvm_pref_gpu, down_sample, fft_wrt, & + & particles_lagrange, particle_pp inquire (FILE=trim(file_path), EXIST=file_exist) @@ -139,9 +139,13 @@ contains if (cfl_adap_dt .or. cfl_const_dt) cfl_dt = .true. - if (any((/bc_x%beg, bc_x%end, bc_y%beg, bc_y%end, bc_z%beg, bc_z%end/) == -17) .or. num_bc_patches > 0) then + if (any((/bc_x%beg, bc_x%end, bc_y%beg, bc_y%end, bc_z%beg, bc_z%end/) == BC_DIRICHLET) .or. num_bc_patches > 0) then bc_io = .true. end if + + if (bc_x%beg == BC_PERIODIC .and. bc_x%end == BC_PERIODIC) periodic_bc(1) = .true. + if (bc_y%beg == BC_PERIODIC .and. bc_y%end == BC_PERIODIC) periodic_bc(2) = .true. + if (bc_z%beg == BC_PERIODIC .and. bc_z%end == BC_PERIODIC) periodic_bc(3) = .true. else call s_mpi_abort(trim(file_path) // ' is missing. Exiting.') end if @@ -674,7 +678,6 @@ contains !> Collect per-process wall-clock times and write aggregate performance metrics to file impure subroutine s_save_performance_metrics(time_avg, time_final, io_time_avg, io_time_final, proc_time, io_proc_time, & - & file_exists) real(wp), intent(inout) :: time_avg, time_final @@ -796,7 +799,7 @@ contains if (bubbles_lagrange) then $:GPU_UPDATE(host='[lag_id, mtn_pos, mtn_posPrev, mtn_vel, intfc_rad, intfc_vel, bub_R0, Rmax_stats, Rmin_stats, & & bub_dphidt, gas_p, gas_mv, gas_mg, gas_betaT, gas_betaC]') - do i = 1, nBubs + do i = 1, n_el_bubs_loc if (ieee_is_nan(intfc_rad(i, 1)) .or. intfc_rad(i, 1) <= 0._wp) then call s_mpi_abort("Bubble radius is negative or NaN, please reduce dt.") end if @@ -807,6 +810,20 @@ contains $:GPU_UPDATE(host='[Rmax_stats, Rmin_stats, gas_p, gas_mv, intfc_vel]') call s_write_restart_lag_bubbles(save_count) ! parallel if (lag_params%write_bubbles_stats) call s_write_lag_bubble_stats() + else if (particles_lagrange) then + $:GPU_UPDATE(host='[lag_part_id, particle_pos, particle_posPrev, particle_vel, particle_rad, particle_R0, & + & Rmax_stats_part, Rmin_stats_part, particle_mass]') + do i = 1, n_el_particles_loc + if (ieee_is_nan(particle_rad(i, 1)) .or. particle_rad(i, 1) <= 0._wp) then + call s_mpi_abort("Particle radius is negative or NaN, please reduce dt.") + end if + end do + + $:GPU_UPDATE(host='[q_particles(1)%sf]') + call s_write_data_files(q_cons_ts(stor)%vf, q_T_sf, q_prim_vf, save_count, bc_type, q_particles(1)) + $:GPU_UPDATE(host='[Rmax_stats_part, Rmin_stats_part]') + call s_write_restart_lag_particles(save_count) ! parallel + if (lag_params%write_bubbles_stats) call s_write_lag_particle_stats() else call s_write_data_files(q_cons_ts(stor)%vf, q_T_sf, q_prim_vf, save_count, bc_type) end if @@ -848,6 +865,11 @@ contains if (bubbles_euler .or. bubbles_lagrange) then call s_initialize_bubbles_model() end if + + if (particles_lagrange) then + call s_initialize_particles_model() + end if + call s_initialize_mpi_common_module() call s_initialize_mpi_proxy_module() call s_initialize_variables_conversion_module() @@ -931,7 +953,9 @@ contains end if call s_initialize_derived_variables() - if (bubbles_lagrange) call s_initialize_bubbles_EL_module(q_cons_ts(1)%vf) + + if (bubbles_lagrange) call s_initialize_bubbles_EL_module(q_cons_ts(1)%vf, bc_type) + if (particles_lagrange) call s_initialize_particles_EL_module(q_cons_ts(1)%vf, bc_type) if (hypoelasticity) call s_initialize_hypoelastic_module() if (hyperelasticity) call s_initialize_hyperelastic_module() @@ -1052,6 +1076,10 @@ contains $:GPU_UPDATE(device='[bc_y%vb1, bc_y%vb2, bc_y%vb3, bc_y%ve1, bc_y%ve2, bc_y%ve3]') $:GPU_UPDATE(device='[bc_z%vb1, bc_z%vb2, bc_z%vb3, bc_z%ve1, bc_z%ve2, bc_z%ve3]') + $:GPU_UPDATE(device='[bc_x%beg, bc_x%end]') + $:GPU_UPDATE(device='[bc_y%beg, bc_y%end]') + $:GPU_UPDATE(device='[bc_z%beg, bc_z%end]') + $:GPU_UPDATE(device='[bc_x%grcbc_in, bc_x%grcbc_out, bc_x%grcbc_vel_out]') $:GPU_UPDATE(device='[bc_y%grcbc_in, bc_y%grcbc_out, bc_y%grcbc_vel_out]') $:GPU_UPDATE(device='[bc_z%grcbc_in, bc_z%grcbc_out, bc_z%grcbc_vel_out]') @@ -1105,6 +1133,7 @@ contains call s_finalize_boundary_common_module() if (relax) call s_finalize_relaxation_solver_module() if (bubbles_lagrange) call s_finalize_lagrangian_solver() + if (particles_lagrange) call s_finalize_particle_lagrangian_solver() if (viscous .and. (.not. igr)) then call s_finalize_viscous_module() end if diff --git a/src/simulation/m_time_steppers.fpp b/src/simulation/m_time_steppers.fpp index 4a741a4068..deb03ebe5a 100644 --- a/src/simulation/m_time_steppers.fpp +++ b/src/simulation/m_time_steppers.fpp @@ -15,6 +15,7 @@ module m_time_steppers use m_data_output use m_bubbles_EE use m_bubbles_EL + use m_particles_EL !< Lagrange particle dynamics routines use m_ibm use m_hyperelastic use m_mpi_proxy @@ -38,13 +39,12 @@ module m_time_steppers real(wp), allocatable, dimension(:,:,:,:,:) :: rhs_pb type(scalar_field) :: q_T_sf !< Cell-average temperature variables at the current time-stage real(wp), allocatable, dimension(:,:,:,:,:) :: rhs_mv - real(wp), allocatable, dimension(:,:,:) :: max_dt integer, private :: num_ts !< Number of time stages in the time-stepping scheme integer :: stor !< storage index real(wp), allocatable, dimension(:,:) :: rk_coef integer, private :: num_probe_ts - $:GPU_DECLARE(create='[q_cons_ts, q_prim_vf, q_T_sf, rhs_vf, q_prim_ts1, q_prim_ts2, rhs_mv, rhs_pb, max_dt, rk_coef, stor, bc_type]') + $:GPU_DECLARE(create='[q_cons_ts, q_prim_vf, q_T_sf, rhs_vf, q_prim_ts1, q_prim_ts2, rhs_mv, rhs_pb, rk_coef, stor, bc_type]') !> @cond #if defined(__NVCOMPILER_GPU_UNIFIED_MEM) @@ -72,7 +72,6 @@ contains #endif integer :: i, j !< Generic loop iterators ! Setting number of time-stages for selected time-stepping scheme - if (time_stepper == 1) then num_ts = 1 else if (any(time_stepper == (/2, 3/))) then @@ -399,10 +398,6 @@ contains call s_open_ib_state_file() end if - if (cfl_dt) then - @:ALLOCATE(max_dt(0:m, 0:n, 0:p)) - end if - ! Allocating arrays to store the bc types @:ALLOCATE(bc_type(1:num_dims,1:2)) @@ -497,7 +492,12 @@ contains end if end if - if (bubbles_lagrange .and. .not. adap_dt) call s_update_lagrange_tdv_rk(stage=s) + if (bubbles_lagrange .and. .not. adap_dt) call s_update_lagrange_tdv_rk(q_prim_vf, bc_type, stage=s) + + if (particles_lagrange) then + call s_update_lagrange_particles_tdv_rk(q_prim_vf, bc_type, stage=s) + end if + $:GPU_PARALLEL_LOOP(collapse=4) do i = 1, sys_size do l = 0, p @@ -601,23 +601,22 @@ contains integer, intent(in) :: stage type(vector_field) :: gm_alpha_qp - call s_convert_conservative_to_primitive_variables(q_cons_ts(1)%vf, q_T_sf, q_prim_vf, idwint) + call s_convert_conservative_to_primitive_variables(q_cons_ts(1)%vf, q_T_sf, q_prim_vf, idwbuff) if (bubbles_euler) then call s_compute_bubble_EE_source(q_cons_ts(1)%vf, q_prim_vf, rhs_vf, divu) call s_comp_alpha_from_n(q_cons_ts(1)%vf) else if (bubbles_lagrange) then call s_populate_variables_buffers(bc_type, q_prim_vf, pb_ts(1)%sf, mv_ts(1)%sf) - call s_compute_bubble_EL_dynamics(q_prim_vf, stage) - call s_transfer_data_to_tmp() - call s_smear_voidfraction() + call s_compute_bubble_EL_dynamics(q_prim_vf, bc_type, stage) + if (stage == 3) then if (lag_params%write_bubbles_stats) call s_calculate_lag_bubble_stats() if (lag_params%write_bubbles) then $:GPU_UPDATE(host='[gas_p, gas_mv, intfc_rad, intfc_vel]') - call s_write_lag_particles(mytime) + call s_write_lag_bubble_evol(mytime) end if - call s_write_void_evol(mytime) + if (lag_params%write_void_evol) call s_write_void_evol(mytime) end if end if @@ -644,6 +643,7 @@ contains real(wp) :: H !< Cell-avg. enthalpy real(wp), dimension(2) :: Re !< Cell-avg. Reynolds numbers type(vector_field) :: gm_alpha_qp + real(wp) :: max_dt real(wp) :: dt_local integer :: j, k, l !< Generic loop iterators @@ -651,7 +651,9 @@ contains call s_convert_conservative_to_primitive_variables(q_cons_ts(1)%vf, q_T_sf, q_prim_vf, idwint) end if - $:GPU_PARALLEL_LOOP(collapse=3, private='[vel, alpha, Re, rho, vel_sum, pres, gamma, pi_inf, c, H, qv]') + dt_local = huge(1.0_wp) + $:GPU_PARALLEL_LOOP(collapse=3, private='[vel, alpha, Re, rho, vel_sum, pres, gamma, pi_inf, c, H, qv]', & + & reduction='[[dt_local]]', reductionOp='[min]') do l = 0, p do k = 0, n do j = 0, m @@ -665,15 +667,12 @@ contains call s_compute_speed_of_sound(pres, rho, gamma, pi_inf, H, alpha, vel_sum, 0._wp, c, qv) call s_compute_dt_from_cfl(vel, c, max_dt, rho, Re, j, k, l) + dt_local = min(dt_local, max_dt) end do end do end do $:END_GPU_PARALLEL_LOOP() - #:call GPU_PARALLEL(copyout='[dt_local]', copyin='[max_dt]') - dt_local = minval(max_dt) - #:endcall GPU_PARALLEL - if (num_procs == 1) then dt = dt_local else @@ -754,8 +753,9 @@ contains ! update the angular velocity with the torque value patch_ib(i)%angular_vel = (patch_ib(i)%angular_vel*patch_ib(i)%moment) + (rk_coef(s, & & 3)*dt*patch_ib(i)%torque/rk_coef(s, 4)) ! add the torque to the angular momentum - call s_compute_moment_of_inertia(i, patch_ib(i)%angular_vel) - ! update the moment of inertia to be based on the direction of the angular momentum + call s_compute_moment_of_inertia(i, & + & patch_ib(i)%angular_vel) & + & ! update the moment of inertia to be based on the direction of the angular momentum patch_ib(i)%angular_vel = patch_ib(i)%angular_vel/patch_ib(i) & & %moment ! convert back to angular velocity with the new moment of inertia end if diff --git a/tests/016C1B8B/golden.txt b/tests/016C1B8B/golden.txt index 29eca83b98..e44a2ae8c7 100644 --- a/tests/016C1B8B/golden.txt +++ b/tests/016C1B8B/golden.txt @@ -1,4 +1,4 @@ -D/beta.9.00.000050.dat 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 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D/stats_lag_bubbles_0.dat 0.0 1.0 0.5 0.5 0.5 1.0 0.9998421540275337 -D/voidfraction.dat 2.1429198e-06 2.1429198e-06 2.1429198e-06 2.1429198e-06 2.1429197e-06 2.1429197e-06 2.1429196e-06 2.1429195e-06 2.1429193e-06 2.142919e-06 2.1429186e-06 2.142918e-06 2.1429172e-06 2.1429161e-06 2.1429148e-06 2.142913e-06 2.1429109e-06 2.1429083e-06 2.1429052e-06 2.1429015e-06 2.1428971e-06 2.1428919e-06 2.1428859e-06 2.142879e-06 2.1428711e-06 2.1428621e-06 2.1428519e-06 2.1428404e-06 2.1428275e-06 2.1428132e-06 2.1427972e-06 2.1427795e-06 2.1427599e-06 2.1427384e-06 2.1427148e-06 2.142689e-06 2.1426608e-06 2.1426302e-06 2.1425969e-06 2.142561e-06 2.1425221e-06 2.1424803e-06 2.1424352e-06 2.1423869e-06 2.1423351e-06 2.1422797e-06 2.1422206e-06 2.1421577e-06 2.1420907e-06 2.1420195e-06 2.141944e-06 \ No newline at end of file +D/voidfraction.dat 2.1429198e-06 2.1429198e-06 2.1429198e-06 2.1429198e-06 2.1429197e-06 2.1429197e-06 2.1429196e-06 2.1429195e-06 2.1429192e-06 2.1429189e-06 2.1429183e-06 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"Rayleigh-Plesset"}, + "choices": [0, 1, 2, 3], + "value_labels": {0: "Particle", 1: "Gilmore", 2: "Keller-Miksis", 3: "Rayleigh-Plesset"}, }, # Output "format": { @@ -880,6 +880,10 @@ def _load(): for n in ["polytropic", "bubbles_euler", "polydisperse", "qbmm", "bubbles_lagrange"]: _r(n, LOG, {"bubbles"}) + # Particles + for n in ["particles_lagrange"]: + _r(n, LOG, {"particles"}) + # Viscosity _r("viscous", LOG, {"viscosity"}) @@ -1053,6 +1057,13 @@ def _load(): _r(f"p_{d}", REAL, math=r"\f$\phi_" + d + r"\f$") _r(f"bf_{d}", LOG) + # Interfacial flow inputs + _r("normMag", REAL) + _r("p0_ic", REAL) + _r("g0_ic", REAL) + _r("normFac", REAL) + _r("interface_file", STR) + # INDEXED PARAMETERS # patch_icpp (10 patches) @@ -1149,10 +1160,12 @@ def _load(): ]: _r(f"bub_pp%{a}", REAL, {"bubbles"}, math=sym) + # --- particle_pp (particle properties) --- + for a in ["rho0ref_particle", "cp_particle", "ksp_col", "nu_col", "E_col", "cor_col"]: + _r(f"particle_pp%{a}", REAL, {"particles"}) + # patch_ib (immersed boundaries) — registered as indexed family for O(1) lookup. - # max_index is None so the parameter registry stays compact (no enumeration). - # The Fortran-side upper bound (num_patches_max in m_constants.fpp) is parsed - # and enforced by the case_validator, not by max_index here. + # max_index is sourced from Fortran's num_patches_max in m_constants.fpp. _ib_tags = {"ib"} _ib_attrs: Dict[str, tuple] = {} for a in ["geometry", "moving_ibm"]: @@ -1260,12 +1273,23 @@ def _load(): _r(f"simplex_params%perturb_vel_offset({d},{j})", REAL) # lag_params (Lagrangian bubbles) - for a in ["heatTransfer_model", "massTransfer_model", "pressure_corrector", "write_bubbles", "write_bubbles_stats"]: + for a in ["heatTransfer_model", "massTransfer_model", "pressure_corrector", "write_bubbles", "write_bubbles_stats", "pressure_force", "gravity_force", "write_void_evol"]: _r(f"lag_params%{a}", LOG, {"bubbles"}) - for a in ["solver_approach", "cluster_type", "smooth_type", "nBubs_glb"]: + for a in ["solver_approach", "cluster_type", "smooth_type", "nBubs_glb", "drag_model", "vel_model", "charNz"]: _r(f"lag_params%{a}", INT, {"bubbles"}) for a in ["epsilonb", "valmaxvoid", "charwidth", "c0", "rho0", "T0", "x0", "Thost"]: _r(f"lag_params%{a}", REAL, {"bubbles"}) + _r("lag_params%input_path", STR, {"bubbles"}) + + # --- lag_params (Lagrangian particles) --- + for a in ["nParticles_glb", "stokes_drag", "qs_drag_model", "added_mass_model", "interpolation_order"]: + _r(f"lag_params%{a}", INT, {"particles"}) + + for a in ["collision_force", "qs_fluct_force"]: + _r(f"lag_params%{a}", LOG, {'particles'}) + + for a in ["mu_ref"]: + _r(f"lag_params%{a}", REAL, {'particles'}) # chem_params for a in ["diffusion", "reactions"]: diff --git a/toolchain/mfc/params/descriptions.py b/toolchain/mfc/params/descriptions.py index 7906b6d38d..2a15f8ed37 100644 --- a/toolchain/mfc/params/descriptions.py +++ b/toolchain/mfc/params/descriptions.py @@ -250,6 +250,14 @@ "lag_mg_wrt": "Write bubble gas mass", "lag_betaT_wrt": "Write bubble heat transfer coefficient", "lag_betaC_wrt": "Write bubble mass transfer coefficient", + # Interfacial flow parameters + "interface_file": "Path to interface geometry data file", + "normFac": "Interface normalization factor", + "normMag": "Interface normal magnitude", + "g0_ic": "Initial gas volume fraction for interfacial IC", + "p0_ic": "Initial pressure for interfacial IC", + # Particle parameters + "particles_lagrange": "Enable Lagrangian solid particle solver", } # Patterns for auto-generating descriptions of indexed parameters diff --git a/toolchain/mfc/params/namelist_parser.py b/toolchain/mfc/params/namelist_parser.py index 5ac3913499..34a975223e 100644 --- a/toolchain/mfc/params/namelist_parser.py +++ b/toolchain/mfc/params/namelist_parser.py @@ -33,6 +33,8 @@ "bub_pp", "bubbles_euler", "bubbles_lagrange", + "particles_lagrange", + "particle_pp", "case_dir", "cfl_adap_dt", "cfl_const_dt", @@ -151,6 +153,8 @@ "bubble_model", "bubbles_euler", "bubbles_lagrange", + "particles_lagrange", + "particle_pp", "case_dir", "cfl_adap_dt", "cfl_const_dt", @@ -293,6 +297,8 @@ "bub_pp", "bubbles_euler", "bubbles_lagrange", + "particles_lagrange", + "particle_pp", "c_wrt", "case_dir", "cf_wrt", diff --git a/toolchain/mfc/test/cases.py b/toolchain/mfc/test/cases.py index 3666b930c3..f5c78ec79c 100644 --- a/toolchain/mfc/test/cases.py +++ b/toolchain/mfc/test/cases.py @@ -1325,6 +1325,7 @@ def alter_lag_bubbles(dimInfo): "lag_betaC_wrt": "T", "lag_params%write_bubbles": "T", "lag_params%write_bubbles_stats": "T", + "lag_params%write_void_evol": "T", "polytropic": "F", "bub_pp%R0ref": 1.0, "bub_pp%p0ref": 1.0,