diff --git a/docs/documentation/case.md b/docs/documentation/case.md index f480c927c9..7a89c662ce 100644 --- a/docs/documentation/case.md +++ b/docs/documentation/case.md @@ -1342,7 +1342,7 @@ This forcing is implemented for **2D cases only**; enabling it in 1D or 3D is re These drive a flow through a periodic direction with a mean pressure gradient, as in particle-resolved random-array studies (e.g. Tenneti, Garg & Subramaniam, IJMF 2011). Unlike `bf_x[y,z]`, the source \f$f_i = -\partial\bar p/\partial x_i\f$ is a force per unit volume, independent of density. It is added to the momentum equation, with work \f$\mathbf{u}\cdot\mathbf{f}\f$ added to the energy equation. -Immersed boundaries are not supported with the mean pressure gradient. +With immersed boundaries the force is not applied inside the bodies, and the fluid volume, mass flux and work in the controller sum over fluid cells only. When `mean_mflux(i)` is set, \f$f_i\f$ is updated once per time step to hold the fluid-averaged bulk mass flux \f$Q_i = \sum \rho u_i\,dV / \sum dV\f$ at \f$Q_i^\ast\f$: @@ -1358,11 +1358,12 @@ Each forced direction must be periodic (`bc_x[y,z]%%beg = bc_x[y,z]%%end = -1`) | Parameter | Type | Description | | ---: | :---: | :--- | | `mean_qdot` | Real | Uniform heat source per unit volume \f$\dot q\f$ (initial value if controlled; default 0) | -| `mean_temp` | Real | Target mass-averaged fluid temperature \f$T_b^\ast\f$; enables the controller | +| `mean_temp` | Real | Target mass-averaged fluid temperature \f$T_b^\ast\f$ (the mixing-cup \f$T_m\f$ with `mean_temp_wall`); enables the controller | | `mean_temp_gain` | Real | Controller gain \f$G\f$, required with `mean_temp`, \f$0 < G < 4/3\f$; needs a constant `dt` (no `cfl_adap_dt`) | +| `mean_temp_wall` | Real | Wall temperature \f$T_s\f$ of a thermally developed state; makes the source local (requires `mean_temp`) | The thermal analogue of the mean pressure gradient: a uniform volumetric heat source that holds the bulk gas temperature of a periodic domain (statistically stationary heat transfer, cf. the thermally fully developed periodic formulation of Tenneti, Sun, Garg & Subramaniam, IJHMT 58, 2013, and Sun, Tenneti & Subramaniam, IJHMT 86, 2015). -\f$\dot q\f$ is added to the energy equation. Immersed boundaries are not supported with the thermostat. +\f$\dot q\f$ is added to the energy equation. With immersed boundaries the source is not applied inside the bodies, and the controller sums run over fluid cells only. It requires `chemistry`; the controlled quantity is the temperature, so gas-phase heat release lowers the source needed and the controller holds \f$T_b^\ast\f$ net of chemistry (\f$\dot q\f$ may become negative). When `mean_temp` is set, \f$\dot q\f$ is updated once per time step from the mass-averaged fluid temperature \f$T_b = \sum \rho T\,dV / \sum \rho\,dV\f$, the quantity the energy budget acts on: @@ -1372,7 +1373,20 @@ When `mean_temp` is set, \f$\dot q\f$ is updated once per time step from the mas with \f$\overline{\rho c_v} = \sum \rho c_v\,dV / \sum dV\f$, the same controller as `mean_mflux` (deadbeat for \f$G = 1\f$ and a constant heat loss). \f$t\f$, \f$T_b\f$, the mixing-cup temperature \f$T_m = \sum \rho u_1 T\,dV / \sum \rho u_1\,dV\f$, \f$\dot q\f$, and the fluid volume \f$V_f\f$ (source power \f$\dot q V_f\f$) are written every step to `mean_temp.dat` in the case directory. As for `mean_dpdx`, the controller state is not saved in restart files: set `mean_qdot` on restart to the last value in `mean_temp.dat`. -All active directions must be periodic and Cartesian. +The domain must be Cartesian and periodic in \f$x\f$; \f$y\f$ and \f$z\f$ may be periodic or walls (`-15`, `-16`). + +With `mean_temp_wall`, the source instead gives the thermally fully developed state of flow past isothermal walls at \f$T_s\f$ (Sun, Tenneti & Subramaniam, IJHMT 86, 2015): \f$T = T_s + \psi\, e^{-\beta x}\f$ with \f$\psi\f$ periodic. +MFC solves for \f$\psi = T - T_s\f$ with the source of the \f$e^{-\beta x}\f$ factor, + +\f[ S = \beta\left[\rho c_p u_1 \psi - \partial_x(\lambda\psi) - \lambda\,\partial_x\psi + \beta\lambda\psi\right], \f] + +with local \f$c_p\f$ and conductivity \f$\lambda\f$ and central differences in \f$x\f$. +The controller (on \f$T_m\f$, below) sets the source total \f$\dot q V_f\f$; \f$\beta\f$ is the root of \f$\dot q V_f = \beta(A_1 + \beta A_2)\f$, with \f$A_1 = \sum [\rho c_p u_1 \psi - \partial_x(\lambda\psi) - \lambda\,\partial_x\psi]\,dV\f$ (the same discrete terms the source applies, evaluated once per step at its first stage and held through the Runge-Kutta stages like \f$\dot q\f$ and \f$\beta\f$, so the balance holds with immersed boundaries and varying properties) and \f$A_2 = \sum \lambda\psi\,dV\f$, that tends to \f$\dot q V_f/A_1\f$ as \f$A_2 \to 0\f$. It requires `chem_params%%diffusion`, `mean_mflux(1) > 0` (a held streamwise flow for the mixing-cup temperature), and every wall (`bc_y,z` of `-15`, `-16`, and every immersed boundary) isothermal at `mean_temp_wall`. +At steady state, \f$\beta\f$ is the streamwise decay rate of \f$T - T_s\f$ and the walls' heat equals \f$-\dot q V_f\f$. +\f$\beta\f$, \f$A_1\f$ and \f$A_2\f$ are written as columns 7-9 of `mean_temp.dat`. +In this mode the controller holds the mixing-cup temperature \f$T_m\f$ at `mean_temp`, not \f$T_b\f$: in flows with streamlines of very different speed (e.g. periodic particle arrays) the slowest-decaying mode can sit on a fast, unobstructed streak that carries little mass but much of the flux, and holding the mass mean let it grow without bound, while the flux-weighted \f$T_m\f$ feeds it back. +Keep \f$|T_s - T_m|\f$ small (a few percent of \f$T_m\f$): the cold or hot core of the developed state is several times deeper than \f$|T_s - T_m|\f$, and large amplitudes bias \f$\beta\f$ through the property changes. +Known issue: only the plane channel (`examples/2D_thermal_channel`, \f$\mathrm{Nu} = 7.541\f$ for constant properties) is verified. In flows with streamlines of very different speed the hot and cold wall cases relax at different rates and \f$\beta\f$ is not converged; treat such results as unverified. ### 14. Magnetohydrodynamics (MHD) diff --git a/docs/documentation/equations.md b/docs/documentation/equations.md index 51b02dc516..e682d5be84 100644 --- a/docs/documentation/equations.md +++ b/docs/documentation/equations.md @@ -811,6 +811,7 @@ With a target bulk mass flux \f$Q_i^\ast\f$, \f$f_i^{n+1} = f_i^n + (G/\Delta t) \f[\frac{\partial E}{\partial t}\bigg|_\text{mts} = \dot q, \qquad \dot q^{n+1} = \dot q^n + \frac{G\,\overline{\rho c_v}}{\Delta t}\left(T_b^\ast - 2T_b^n + T_b^{n-1}\right),\f] with \f$T_b\f$ the mass-averaged fluid temperature. +With `mean_temp_wall` \f$= T_s\f$, \f$\dot q\f$ becomes the local \f$\beta[\rho c_p u_1 \psi - \partial_x(\lambda\psi) - \lambda\partial_x\psi + \beta\lambda\psi]\f$, \f$\psi = T - T_s\f$, with \f$\beta\f$ from \f$\dot q V_f = \beta(\sum\rho c_p u_1\psi\,dV + \beta\sum\lambda\psi\,dV)\f$ and the controller on the mixing-cup \f$T_m\f$: the periodic part of the thermally developed \f$T = T_s + \psi e^{-\beta x}\f$. --- diff --git a/examples/2D_thermal_channel/case.py b/examples/2D_thermal_channel/case.py new file mode 100644 index 0000000000..9bdc01e3e4 --- /dev/null +++ b/examples/2D_thermal_channel/case.py @@ -0,0 +1,114 @@ +#!/usr/bin/env python3 +""" +2D plane channel between isothermal no-slip walls (bc_y = -16) at Tw, periodic in x, driven at a bulk mass flux +(mean_mflux). The thermostat with mean_temp_wall = Tw holds the gas in the thermally fully developed state +T = Tw + psi(y) exp(-beta x), with the mixing-cup temperature at T0. Constant-property reference (Shah & London 1978): +Nu = q_w D_h / (k (Tw - T_m)) = 7.541, D_h = 2H, T_m the mixing-cup temperature; axial conduction changes it by +under 0.02 % for Pe_Dh > 100. q_w = -mean_qdot V_f / (2 L_x) at steady state (mean_temp.dat). A hot/cold wall pair +(--tw above and below --t0) cancels the viscous heating to first order. +""" + +import argparse +import json +import math + +import cantera as ct + +parser = argparse.ArgumentParser() +parser.add_argument("--ny", type=int, default=32, help="cells across the gap H") +parser.add_argument("--nx", type=int, default=25, help="cells along x (WENO5 needs at least 25 per direction)") +parser.add_argument("--tw", type=float, default=330.0, help="wall temperature [K]") +parser.add_argument("--t0", type=float, default=300.0, help="initial gas and target mixing-cup temperature [K]") +parser.add_argument("--mach", type=float, default=0.1, help="bulk Mach number") +parser.add_argument("--re", type=float, default=150.0, help="Re_Dh = rho U_b 2H / mu") +parser.add_argument("--tend", type=float, default=0.5, help="run time [H^2 / alpha]; developed in about 0.1") +parser.add_argument("--saves", type=int, default=10) +args, _ = parser.parse_known_args() + +gas = ct.Solution("h2o2.yaml") +gas.TPY = args.t0, ct.one_atm, "O2:0.233,N2:0.767" +rho, mu, k = gas.density, gas.viscosity, gas.thermal_conductivity +a = math.sqrt(gas.cp_mass / gas.cv_mass * ct.one_atm / rho) +U = args.mach * a +H = args.re * mu / (2.0 * rho * U) +dy = H / args.ny +Lx = args.nx * dy +dt = 0.4 * dy / (U + a) +nt = args.saves * math.ceil(args.tend * H**2 * rho * gas.cp_mass / k / dt / args.saves) + +case = { + "run_time_info": "F", + "x_domain%beg": 0.0, + "x_domain%end": Lx, + "y_domain%beg": 0.0, + "y_domain%end": H, + "m": args.nx - 1, + "n": args.ny - 1, + "p": 0, + "dt": dt, + "t_step_start": 0, + "t_step_stop": nt, + "t_step_save": nt // args.saves, + "num_patches": 1, + "model_eqns": 2, + "num_fluids": 1, + "mpp_lim": "F", + "mixture_err": "T", + "time_stepper": 3, + "weno_order": 5, + "weno_eps": 1e-16, + "mapped_weno": "T", + "weno_Re_flux": "T", + "mp_weno": "F", + "weno_avg": "T", + "riemann_solver": 2, + "wave_speeds": 1, + "avg_state": 2, + "fd_order": 4, + "bc_x%beg": -1, + "bc_x%end": -1, + "bc_y%beg": -16, + "bc_y%end": -16, + "bc_y%isothermal_in": "T", + "bc_y%isothermal_out": "T", + "bc_y%Twall_in": args.tw, + "bc_y%Twall_out": args.tw, + "viscous": "T", + "chemistry": "T", + "chem_params%diffusion": "T", + "chem_params%reactions": "F", + "chem_params%transport_model": 1, + "cantera_file": "h2o2.yaml", + "chem_wrt_T": "T", + "format": 1, + "precision": 2, + "prim_vars_wrt": "T", + "parallel_io": "F", + "patch_icpp(1)%geometry": 3, + "patch_icpp(1)%x_centroid": 0.5 * Lx, + "patch_icpp(1)%y_centroid": 0.5 * H, + "patch_icpp(1)%length_x": Lx, + "patch_icpp(1)%length_y": H, + "patch_icpp(1)%vel(1)": U, + "patch_icpp(1)%vel(2)": 0.0, + "patch_icpp(1)%pres": ct.one_atm, + "patch_icpp(1)%alpha_rho(1)": rho, + "patch_icpp(1)%alpha(1)": 1.0, + "fluid_pp(1)%gamma": 1.0 / (1.4 - 1.0), + "fluid_pp(1)%eos": "stiffened_gas", + "fluid_pp(1)%pi_inf": 0.0, + "fluid_pp(1)%Re(1)": 1.0 / mu, + # Poiseuille drive and the developed wall loss (Nu 7.541) as initial controller states + "mean_dpdx(1)": -12.0 * mu * U / H**2, + "mean_mflux(1)": rho * U, + "mean_dpdx_gain": 0.05, + "mean_qdot": -7.541 * k * (args.tw - args.t0) / H**2, + "mean_temp": args.t0, + "mean_temp_gain": 0.05, + "mean_temp_wall": args.tw, +} +for i, y in enumerate(gas.Y): + case[f"patch_icpp(1)%Y({i + 1})"] = y + case[f"chem_wrt_Y({i + 1})"] = "T" + +print(json.dumps(case)) diff --git a/src/simulation/m_body_forces.fpp b/src/simulation/m_body_forces.fpp index e8896fe2b3..38095aa17e 100644 --- a/src/simulation/m_body_forces.fpp +++ b/src/simulation/m_body_forces.fpp @@ -4,13 +4,6 @@ #:include 'macros.fpp' -#! dV = volume of cell (j, k, l) -#:def CELL_DV() - dV = dx(j) - if (n > 0) dV = dV*dy(k) - if (p > 0) dV = dV*dz(l) -#:enddef - !> @brief Computes gravitational and body force source terms for the momentum equations module m_body_forces @@ -20,7 +13,9 @@ module m_body_forces use m_mpi_proxy use m_helper, only: s_prng_splitmix32, f_unit_vector, f_cross use m_helper_basic, only: f_is_default - use m_thermochem, only: num_species, gas_constant, get_mixture_molecular_weight, get_mixture_specific_heat_cp_mass + use m_ibm, only: ib_markers + use m_thermochem, only: num_species, gas_constant, get_mixture_molecular_weight, get_mixture_specific_heat_cp_mass, & + & get_mixture_thermal_conductivity_mixavg use m_nvtx implicit none @@ -29,12 +24,15 @@ module m_body_forces public :: s_apply_bodyforces, s_compute_body_forces_rhs, s_compute_synthetic_forces_rhs, s_initialize_body_forces_module, & & s_finalize_body_forces_module, s_update_mean_sources - logical, dimension(3) :: mpg_dir !< Mean pressure gradient active in this direction - real(wp), dimension(3) :: mflux_old !< Previous-step bulk mass flux, for the controller - integer :: mpg_unit !< mean_dpdx.dat history file unit - logical :: mts_on !< Mean gas heat source (thermostat) active - real(wp) :: temp_old !< Previous-step bulk temperature, for the controller - integer :: mts_unit !< mean_temp.dat history file unit + logical, dimension(3) :: mpg_dir !< Mean pressure gradient active in this direction + real(wp), dimension(3) :: mflux_old !< Previous-step bulk mass flux, for the controller + integer :: mpg_unit !< mean_dpdx.dat history file unit + logical :: mts_on !< Mean gas heat source (thermostat) active + real(wp) :: temp_old !< Previous-step bulk temperature, for the controller + logical :: mts_sim !< Self-similar thermostat (mean_temp_wall set) + real(wp) :: mts_beta !< Its streamwise decay rate beta [1/m] + integer :: mts_unit !< mean_temp.dat history file unit + logical :: mts_warned = .false. !< The beta quadratic had no real root (reported once) integer, parameter :: spbf_num_freq = 8 real(wp) :: spbf_amp real(wp) :: spbf_xc @@ -43,7 +41,9 @@ module m_body_forces real(wp) :: spbf_sigma real(wp), allocatable, dimension(:) :: freq, phase real(wp), allocatable, dimension(:,:,:) :: rhoM - $:GPU_DECLARE(create='[spbf_amp, spbf_xc, spbf_yc, spbf_conv_vel, spbf_sigma, freq, phase, rhoM]') + !> Self-similar source terms of each cell (s_compute_mts_terms) + real(wp), allocatable, dimension(:,:,:) :: mts_g1, mts_g2 + $:GPU_DECLARE(create='[spbf_amp, spbf_xc, spbf_yc, spbf_conv_vel, spbf_sigma, freq, phase, rhoM, mts_g1, mts_g2]') integer :: num_synthetic_wave_numbers $:GPU_DECLARE(create='[num_synthetic_wave_numbers]') @@ -60,6 +60,36 @@ module m_body_forces contains + !> True for a cell outside every immersed boundary + pure function f_is_fluid_cell(marks, j, k, l) result(fluid) + + $:GPU_ROUTINE(parallelism='[seq]') + + type(integer_field), intent(in) :: marks !< ib_markers, passed so the device routine reads the present copy + integer, intent(in) :: j, k, l + logical :: fluid + + fluid = .true. + if (ib) fluid = marks%sf(j, k, l) == 0 + + end function f_is_fluid_cell + + !> Volume of the fluid in cell (j, k, l): zero inside an immersed boundary + pure function f_fluid_volume(marks, j, k, l) result(dV) + + $:GPU_ROUTINE(parallelism='[seq]') + + type(integer_field), intent(in) :: marks + integer, intent(in) :: j, k, l + real(wp) :: dV + + dV = dx(j) + if (n > 0) dV = dV*dy(k) + if (p > 0) dV = dV*dz(l) + if (.not. f_is_fluid_cell(marks, j, k, l)) dV = 0._wp + + end function f_fluid_volume + !> Initialize the body forces module. When synthetic_turbulence is enabled, !> generates random wave vectors for each energy shell on rank 0, then !> broadcasts to all MPI ranks and copies to GPU. @@ -86,6 +116,13 @@ contains mpg_dir = mean_dpdx /= 0._wp .or. .not. f_is_default(mean_mflux) mts_on = mean_qdot /= 0._wp .or. .not. f_is_default(mean_temp) + mts_sim = .not. f_is_default(mean_temp_wall) + mts_beta = 0._wp + if (mts_sim) then + @:ALLOCATE(mts_g1(0:m, 0:n, 0:p), mts_g2(0:m, 0:n, 0:p)) + else + @:ALLOCATE(mts_g1(0:0, 0:0, 0:0), mts_g2(0:0, 0:0, 0:0)) + end if mflux_old = dflt_real temp_old = dflt_real if (any(mpg_dir)) call s_open_history(mpg_unit, 'mean_dpdx.dat') @@ -311,13 +348,16 @@ contains end subroutine s_compute_mixture_density !> Compute the body force source terms for momentum and energy equations - subroutine s_compute_body_forces_rhs(q_prim_vf, q_cons_vf, rhs_vf, bounds) + subroutine s_compute_body_forces_rhs(q_prim_vf, q_cons_vf, rhs_vf, bounds, q_T_sf) type(scalar_field), dimension(sys_size), intent(in) :: q_prim_vf type(scalar_field), dimension(sys_size), intent(in) :: q_cons_vf + type(scalar_field), intent(in), optional :: q_T_sf type(scalar_field), dimension(sys_size), intent(inout) :: rhs_vf type(int_bounds_info), dimension(1:3), intent(in) :: bounds integer :: i, j, k, l !< Loop variables + real(wp) :: f_mpg, q_mts, beta + logical :: sim if (bf_x .or. bf_y .or. bf_z) then call s_compute_acceleration(mytime) @@ -362,15 +402,17 @@ contains ! bf_*: rho*g; mean pressure gradient: uniform -dP/dx in fluid cells. Energy source u*f for both. #:for DIR, XYZ in [(1, 'x'), (2, 'y'), (3, 'z')] if (bf_${XYZ}$ .or. mpg_dir(${DIR}$)) then - $:GPU_PARALLEL_LOOP(private='[j, k, l]', collapse=3, copyin='[bounds]') + $:GPU_PARALLEL_LOOP(private='[j, k, l, f_mpg]', collapse=3, copyin='[bounds]') do l = bounds(3)%beg, bounds(3)%end do k = bounds(2)%beg, bounds(2)%end do j = bounds(1)%beg, bounds(1)%end + f_mpg = mpg_force(${DIR}$) + if (.not. f_is_fluid_cell(ib_markers, j, k, l)) f_mpg = 0._wp rhs_vf(eqn_idx%mom%beg + ${DIR - 1}$)%sf(j, k, l) = rhs_vf(eqn_idx%mom%beg + ${DIR - 1}$)%sf(j, k, & - & l) + rhoM(j, k, l)*accel_bf(${DIR}$) + mpg_force(${DIR}$) + & l) + rhoM(j, k, l)*accel_bf(${DIR}$) + f_mpg rhs_vf(eqn_idx%E)%sf(j, k, l) = rhs_vf(eqn_idx%E)%sf(j, k, & & l) + q_cons_vf(eqn_idx%mom%beg + ${DIR - 1}$)%sf(j, k, & - & l)*(accel_bf(${DIR}$) + mpg_force(${DIR}$)/max(rhoM(j, k, l), sgm_eps)) + & l)*(accel_bf(${DIR}$) + f_mpg/max(rhoM(j, k, l), sgm_eps)) end do end do end do @@ -378,13 +420,19 @@ contains end if #:endfor - ! Thermostat: uniform heat source per volume + ! Thermostat: uniform heat source, or with mean_temp_wall the periodic part psi = T - T_s of a thermally developed field + ! T_s + psi exp(-beta x): S = beta (g1 + beta g2), g1 and g2 from this stage's fields if (mts_on) then - $:GPU_PARALLEL_LOOP(private='[j, k, l]', collapse=3, copyin='[bounds]') + sim = mts_sim; beta = mts_beta + if (sim) call s_compute_mts_terms(q_cons_vf, q_T_sf) + $:GPU_PARALLEL_LOOP(private='[j, k, l, q_mts]', collapse=3, copyin='[bounds, sim, beta]') do l = bounds(3)%beg, bounds(3)%end do k = bounds(2)%beg, bounds(2)%end do j = bounds(1)%beg, bounds(1)%end - rhs_vf(eqn_idx%E)%sf(j, k, l) = rhs_vf(eqn_idx%E)%sf(j, k, l) + mts_qdot + q_mts = mts_qdot + if (sim) q_mts = beta*(mts_g1(j, k, l) + beta*mts_g2(j, k, l)) + if (.not. f_is_fluid_cell(ib_markers, j, k, l)) q_mts = 0._wp + rhs_vf(eqn_idx%E)%sf(j, k, l) = rhs_vf(eqn_idx%E)%sf(j, k, l) + q_mts end do end do end do @@ -393,17 +441,60 @@ contains end subroutine s_compute_body_forces_rhs + !> Source terms of the thermally developed state, psi = T - T_s, central in x: g1 = rho cp u psi - d(lam psi)/dx - lam dpsi/dx, + !! g2 = lam psi, for every cell. The applied source S = beta (g1 + beta g2) and the controller's A1 = sum(g1 dV), A2 = sum(g2 + !! dV) share them. + subroutine s_compute_mts_terms(q_cons_vf, q_T_sf) + + type(scalar_field), dimension(sys_size), intent(in) :: q_cons_vf + type(scalar_field), intent(in) :: q_T_sf + integer :: i, j, k, l, o + real(wp) :: rho, cp, T_o, lam_o, T_s + real(wp), dimension(num_species) :: Ys + real(wp), dimension(3) :: lam, psi !< Conductivity and T - T_s at j-1, j, j+1 + + T_s = mean_temp_wall + $:GPU_PARALLEL_LOOP(private='[i, j, k, l, o, rho, cp, T_o, lam_o, Ys, lam, psi]', collapse=3, copyin='[T_s]') + do l = 0, p + do k = 0, n + do j = 0, m + rho = q_cons_vf(eqn_idx%cont%beg)%sf(j, k, l) + $:GPU_LOOP(parallelism='[seq]') + do i = 1, num_species + Ys(i) = q_cons_vf(eqn_idx%species%beg + i - 1)%sf(j, k, l)/max(rho, sgm_eps) + end do + ! Ys is cell j's composition for the neighbours' conductivities too: exact for composition uniform in x (the + ! thermally developed state), first order otherwise + $:GPU_LOOP(parallelism='[seq]') + do o = 1, 3 + T_o = q_T_sf%sf(j + o - 2, k, l) + call get_mixture_thermal_conductivity_mixavg(T_o, Ys, lam_o) + if (o == 2) call get_mixture_specific_heat_cp_mass(T_o, Ys, cp) + psi(o) = T_o - T_s + lam(o) = lam_o + end do + mts_g1(j, k, l) = cp*q_cons_vf(eqn_idx%mom%beg)%sf(j, k, & + & l)*psi(2) - (lam(3)*psi(3) - lam(1)*psi(1) + lam(2)*(psi(3) - psi(1)))/(x_cc(j + 1) - x_cc(j - 1)) + mts_g2(j, k, l) = lam(2)*psi(2) + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + + end subroutine s_compute_mts_terms + !> Apply the body forces source term at each Runge-Kutta stage - subroutine s_apply_bodyforces(q_cons_vf, q_prim_vf_in, rhs_vf_in, ldt) + subroutine s_apply_bodyforces(q_cons_vf, q_prim_vf_in, rhs_vf_in, ldt, q_T_sf) type(scalar_field), dimension(1:sys_size), intent(inout) :: q_cons_vf type(scalar_field), dimension(1:sys_size), intent(in) :: q_prim_vf_in type(scalar_field), dimension(1:sys_size), intent(inout) :: rhs_vf_in - real(wp), intent(in) :: ldt !< local dt + real(wp), intent(in) :: ldt !< local dt + type(scalar_field), intent(in), optional :: q_T_sf !< absent in the AMR fine advance (mean_temp: no amr) integer :: i, j, k, l call nvtxStartRange("RHS-BODYFORCES") - call s_compute_body_forces_rhs(q_prim_vf_in, q_cons_vf, rhs_vf_in, idwint) + call s_compute_body_forces_rhs(q_prim_vf_in, q_cons_vf, rhs_vf_in, idwint, q_T_sf) $:GPU_PARALLEL_LOOP(collapse=4) do i = eqn_idx%mom%beg, eqn_idx%E @@ -453,18 +544,23 @@ contains !> Once per step, fluid-cell averages driving the mean sources (sums over fluid cells). Mean pressure gradient: bulk mass flux !! Q_i = sum(rho u_i dV)/sum(dV), controlled to mean_mflux(i) by -dP/dx; logged to mean_dpdx.dat. Thermostat: mass-averaged !! temperature T_b = sum(rho T dV)/sum(rho dV), controlled to mean_temp by the heat source with capacity rho c_v (fluid mean); - !! logged to mean_temp.dat with the mixing-cup T_m = sum(rho u_1 T dV)/sum(rho u_1 dV) and the fluid volume. + !! logged to mean_temp.dat with the mixing-cup T_m = sum(rho u_1 T dV)/sum(rho u_1 dV) and the fluid volume. With + !! mean_temp_wall, the controller holds T_m instead and beta solves source total = beta (A1 + beta A2), A1 = sum(rho cp u_1 psi + !! dV), A2 = sum(lam psi dV), psi = T - T_s, with A1 including the discrete conduction terms of the applied source; beta, A1, A2 + !! are logged too. impure subroutine s_update_mean_sources(q_cons_vf, q_T_sf, t_step) type(scalar_field), dimension(sys_size), intent(in) :: q_cons_vf type(scalar_field), intent(in) :: q_T_sf integer, intent(in) :: t_step - real(wp), dimension(1, 8) :: sums_loc, sums_glb + real(wp), dimension(1, 10) :: sums_loc, sums_glb real(wp) :: q1, q2, q3, vol, rm, rT, rcv, ruT, dV, rho, T, cp, mw + real(wp) :: a1, a2, src, rad real(wp), dimension(num_species) :: Ys real(wp), dimension(3) :: mflux real(wp) :: temp_b, temp_m, rcv_b integer :: i, j, k, l + logical :: sim if (.not. (any(mpg_dir) .or. mts_on)) return @@ -473,7 +569,7 @@ contains do l = 0, p do k = 0, n do j = 0, m - @:CELL_DV() + dV = f_fluid_volume(ib_markers, j, k, l) vol = vol + dV q1 = q1 + q_cons_vf(eqn_idx%mom%beg)%sf(j, k, l)*dV if (n > 0) q2 = q2 + q_cons_vf(eqn_idx%mom%beg + 1)%sf(j, k, l)*dV @@ -483,15 +579,17 @@ contains end do $:END_GPU_PARALLEL_LOOP() - rm = 0._wp; rT = 0._wp; rcv = 0._wp; ruT = 0._wp + rm = 0._wp; rT = 0._wp; rcv = 0._wp; ruT = 0._wp; a1 = 0._wp; a2 = 0._wp if (mts_on) then ! q_T_sf holds T at t^n here: the stage-1 RHS has just converted q_cons_vf - $:GPU_PARALLEL_LOOP(private='[i, j, k, l, dV, rho, T, cp, mw, Ys]', collapse=3, reduction='[[rm, rT, rcv, ruT]]', & - & reductionOp='[+]') + sim = mts_sim + if (sim) call s_compute_mts_terms(q_cons_vf, q_T_sf) + $:GPU_PARALLEL_LOOP(private='[i, j, k, l, dV, rho, T, cp, mw, Ys]', collapse=3, reduction='[[rm, rT, rcv, ruT, a1, & + & a2]]', reductionOp='[+]', copyin='[sim]') do l = 0, p do k = 0, n do j = 0, m - @:CELL_DV() + dV = f_fluid_volume(ib_markers, j, k, l) rho = q_cons_vf(eqn_idx%cont%beg)%sf(j, k, l) T = q_T_sf%sf(j, k, l) $:GPU_LOOP(parallelism='[seq]') @@ -504,14 +602,18 @@ contains rT = rT + rho*T*dV rcv = rcv + rho*(cp - gas_constant/mw)*dV ruT = ruT + q_cons_vf(eqn_idx%mom%beg)%sf(j, k, l)*T*dV + if (sim) then + a1 = a1 + mts_g1(j, k, l)*dV + a2 = a2 + mts_g2(j, k, l)*dV + end if end do end do end do $:END_GPU_PARALLEL_LOOP() end if - sums_loc(1,:) = [q1, q2, q3, vol, rm, rT, rcv, ruT] - call s_mpi_allreduce_vectors_sum(sums_loc, sums_glb, 1, 8) + sums_loc(1,:) = [q1, q2, q3, vol, rm, rT, rcv, ruT, a1, a2] + call s_mpi_allreduce_vectors_sum(sums_loc, sums_glb, 1, 10) vol = sums_glb(1, 4) if (any(mpg_dir)) then @@ -526,11 +628,26 @@ contains if (mts_on) then temp_b = sums_glb(1, 6)/sums_glb(1, 5) rcv_b = sums_glb(1, 7)/vol - call s_mean_controller(mts_qdot, temp_b, temp_old, mean_temp, mean_temp_gain, rcv_b) - $:GPU_UPDATE(device='[mts_qdot]') temp_m = temp_b if (sums_glb(1, 1) /= 0._wp) temp_m = sums_glb(1, 8)/sums_glb(1, 1) - if (proc_rank == 0) write (mts_unit, '(I0, 6(1X, ES24.16))') t_step, mytime, temp_b, temp_m, mts_qdot, vol + ! Self-similar mode pins the flux-weighted T_m: a mass mean barely sees a growing fast-streak mode + call s_mean_controller(mts_qdot, merge(temp_m, temp_b, mts_sim), temp_old, mean_temp, mean_temp_gain, rcv_b) + $:GPU_UPDATE(device='[mts_qdot]') + if (mts_sim) then + a1 = sums_glb(1, 9); a2 = sums_glb(1, 10); src = mts_qdot*vol + ! Root of a2 beta^2 + a1 beta = src that tends to src/a1 as a2 -> 0 + if (a1**2 + 4._wp*a2*src < 0._wp .and. .not. mts_warned .and. proc_rank == 0) then + print '(A,I0,A)', ' mean_temp_wall: no real root for beta at step ', t_step, '; using the vertex 2 src/A1' + mts_warned = .true. + end if + rad = sign(sqrt(max(a1**2 + 4._wp*a2*src, 0._wp)), a1) + mts_beta = 0._wp + if (a1 + rad /= 0._wp) mts_beta = 2._wp*src/(a1 + rad) + if (proc_rank == 0) write (mts_unit, '(I0, 9(1X, ES24.16))') t_step, mytime, temp_b, temp_m, mts_qdot, vol, & + & mts_beta, a1, a2 + else if (proc_rank == 0) then + write (mts_unit, '(I0, 6(1X, ES24.16))') t_step, mytime, temp_b, temp_m, mts_qdot, vol + end if end if end subroutine s_update_mean_sources @@ -654,7 +771,7 @@ contains !> Finalize the body forces module impure subroutine s_finalize_body_forces_module - @:DEALLOCATE(rhoM) + @:DEALLOCATE(rhoM, mts_g1, mts_g2) if (proc_rank == 0) then if (any(mpg_dir)) close (mpg_unit) diff --git a/src/simulation/m_global_parameters.fpp b/src/simulation/m_global_parameters.fpp index 373a8c9c33..73fad7c341 100644 --- a/src/simulation/m_global_parameters.fpp +++ b/src/simulation/m_global_parameters.fpp @@ -708,6 +708,7 @@ contains mean_qdot = 0._wp mean_temp = dflt_real mean_temp_gain = dflt_real + mean_temp_wall = dflt_real !> amplitude, frequency, and phase shift sinusoid in each direction #:for dir in ['x', 'y', 'z'] #:for param in ['k', 'w', 'p', 'g'] diff --git a/src/simulation/m_time_steppers.fpp b/src/simulation/m_time_steppers.fpp index abb4815efb..27f47d3f08 100644 --- a/src/simulation/m_time_steppers.fpp +++ b/src/simulation/m_time_steppers.fpp @@ -576,7 +576,7 @@ contains $:END_GPU_PARALLEL_LOOP() end if - if (bodyForces) call s_apply_bodyforces(q_cons_ts(1)%vf, q_prim_vf, rhs_vf, rk_coef(s, 3)*dt/rk_coef(s, 4)) + if (bodyForces) call s_apply_bodyforces(q_cons_ts(1)%vf, q_prim_vf, rhs_vf, rk_coef(s, 3)*dt/rk_coef(s, 4), q_T_sf) if (synthetic_turbulence) call s_apply_synthetic_turbulence_force(q_cons_ts(1)%vf, q_prim_vf, rhs_vf, rk_coef(s, & & 3)*dt/rk_coef(s, 4)) diff --git a/tests/88ADD5C1/golden-metadata.txt b/tests/88ADD5C1/golden-metadata.txt new file mode 100644 index 0000000000..88853c2c18 --- /dev/null +++ b/tests/88ADD5C1/golden-metadata.txt @@ -0,0 +1,143 @@ +This file was created on 2026-11-09 20:23:45.751294. + +mfc.sh: + + Invocation: test --gpu mp --mpi -j 4 --only 88ADD5C1 D7D6DEEB F8D466BD C02C399E --generate -- -c tio + Lock: mpi=Yes & gpu=Mp & debug=No & reldebug=No & gcov=No & unified=No & single=No & mixed=No & fastmath=No + Git: fb327b11d2140f3831ab58a85347d0fcb0f99058 on HEAD (dirty) + +simulation: + + CMake Configuration: + + CMake v3.24.2 on tioga37 + + C : Clang v20.0.0 (/opt/cray/pe/craype/2.7.36/bin/cc) + Fortran : LLVMFlang v24.0.0 (/p/vast1/bryngelson1/afar/therock-afar-24.3.0-multiarch-10.1.0-592954c/bin/amdflang) + + PRE_PROCESS : OFF + SIMULATION : ON + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /p/vast1/bryngelson1/mfc-tioga-item6m/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/cray/pe/craype/2.7.36/bin/cc + CXX : /opt/cray/pe/craype/2.7.36/bin/CC + FC : /p/vast1/bryngelson1/afar/therock-afar-24.3.0-multiarch-10.1.0-592954c/bin/amdflang + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +syscheck: + + CMake Configuration: + + CMake v3.24.2 on tioga37 + + C : Clang v20.0.0 (/opt/cray/pe/craype/2.7.36/bin/cc) + Fortran : LLVMFlang v24.0.0 (/p/vast1/bryngelson1/afar/therock-afar-24.3.0-multiarch-10.1.0-592954c/bin/amdflang) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : ON + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /p/vast1/bryngelson1/mfc-tioga-item6m/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/cray/pe/craype/2.7.36/bin/cc + CXX : /opt/cray/pe/craype/2.7.36/bin/CC + FC : /p/vast1/bryngelson1/afar/therock-afar-24.3.0-multiarch-10.1.0-592954c/bin/amdflang + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +pre_process: + + CMake Configuration: + + CMake v3.24.2 on tioga37 + + C : Clang v20.0.0 (/opt/cray/pe/craype/2.7.36/bin/cc) + Fortran : LLVMFlang v24.0.0 (/p/vast1/bryngelson1/afar/therock-afar-24.3.0-multiarch-10.1.0-592954c/bin/amdflang) + + PRE_PROCESS : ON + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /p/vast1/bryngelson1/mfc-tioga-item6m/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/cray/pe/craype/2.7.36/bin/cc + CXX : /opt/cray/pe/craype/2.7.36/bin/CC + FC : /p/vast1/bryngelson1/afar/therock-afar-24.3.0-multiarch-10.1.0-592954c/bin/amdflang + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +CPU: + + CPU Info: + From lscpu + Architecture: x86_64 + CPU op-mode(s): 32-bit, 64-bit + Byte Order: Little Endian + CPU(s): 128 + On-line CPU(s) list: 0-127 + Thread(s) per core: 2 + Core(s) per socket: 64 + Socket(s): 1 + NUMA node(s): 4 + Vendor ID: AuthenticAMD + CPU family: 25 + Model: 48 + Model name: AMD EPYC 7A53 64-Core Processor + Stepping: 1 + CPU MHz: 2000.000 + CPU max MHz: 3541.0149 + CPU min MHz: 1500.0000 + BogoMIPS: 3992.55 + Virtualization: AMD-V + L1d cache: 32K + L1i cache: 32K + L2 cache: 512K + L3 cache: 32768K + NUMA node0 CPU(s): 0-15,64-79 + NUMA node1 CPU(s): 16-31,80-95 + NUMA node2 CPU(s): 32-47,96-111 + NUMA node3 CPU(s): 48-63,112-127 + Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush mmx fxsr sse sse2 ht syscall nx mmxext fxsr_opt pdpe1gb rdtscp lm constant_tsc rep_good nopl nonstop_tsc cpuid extd_apicid aperfmperf pni pclmulqdq monitor ssse3 fma cx16 pcid sse4_1 sse4_2 x2apic movbe popcnt aes xsave avx f16c rdrand lahf_lm cmp_legacy svm extapic cr8_legacy abm sse4a misalignsse 3dnowprefetch osvw 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\ No newline at end of file diff --git a/tests/C02C399E/golden-metadata.txt b/tests/C02C399E/golden-metadata.txt new file mode 100644 index 0000000000..ad843ad217 --- /dev/null +++ b/tests/C02C399E/golden-metadata.txt @@ -0,0 +1,143 @@ +This file was created on 2026-11-10 07:38:53.431202. + +mfc.sh: + + Invocation: test --gpu mp --mpi -j 4 --only F8D466BD C02C399E --generate -- -c tio + Lock: mpi=Yes & gpu=Mp & debug=No & reldebug=No & gcov=No & unified=No & single=No & mixed=No & fastmath=No + Git: ecf8985a1d32030edb3b603f6bad1146b4bb1d0a on HEAD (dirty) + +syscheck: + + CMake Configuration: + + CMake v3.24.2 on tioga37 + + C : Clang v20.0.0 (/opt/cray/pe/craype/2.7.36/bin/cc) + Fortran : LLVMFlang v24.0.0 (/p/vast1/bryngelson1/afar/therock-afar-24.3.0-multiarch-10.1.0-592954c/bin/amdflang) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : ON + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /p/vast1/bryngelson1/mfc-tioga-item6m/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/cray/pe/craype/2.7.36/bin/cc + CXX : /opt/cray/pe/craype/2.7.36/bin/CC + FC : /p/vast1/bryngelson1/afar/therock-afar-24.3.0-multiarch-10.1.0-592954c/bin/amdflang + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +pre_process: + + CMake Configuration: + + CMake v3.24.2 on tioga37 + + C : Clang v20.0.0 (/opt/cray/pe/craype/2.7.36/bin/cc) + Fortran : LLVMFlang v24.0.0 (/p/vast1/bryngelson1/afar/therock-afar-24.3.0-multiarch-10.1.0-592954c/bin/amdflang) + + PRE_PROCESS : ON + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /p/vast1/bryngelson1/mfc-tioga-item6m/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/cray/pe/craype/2.7.36/bin/cc + CXX : /opt/cray/pe/craype/2.7.36/bin/CC + FC : /p/vast1/bryngelson1/afar/therock-afar-24.3.0-multiarch-10.1.0-592954c/bin/amdflang + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +simulation: + + CMake Configuration: + + CMake v3.24.2 on tioga37 + + C : Clang v20.0.0 (/opt/cray/pe/craype/2.7.36/bin/cc) + Fortran : LLVMFlang v24.0.0 (/p/vast1/bryngelson1/afar/therock-afar-24.3.0-multiarch-10.1.0-592954c/bin/amdflang) + + PRE_PROCESS : OFF + SIMULATION : ON + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /p/vast1/bryngelson1/mfc-tioga-item6m/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/cray/pe/craype/2.7.36/bin/cc + CXX : /opt/cray/pe/craype/2.7.36/bin/CC + FC : /p/vast1/bryngelson1/afar/therock-afar-24.3.0-multiarch-10.1.0-592954c/bin/amdflang + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +CPU: + + CPU Info: + From lscpu + Architecture: x86_64 + CPU op-mode(s): 32-bit, 64-bit + Byte Order: Little Endian + CPU(s): 128 + On-line CPU(s) list: 0-127 + Thread(s) per core: 2 + Core(s) per socket: 64 + Socket(s): 1 + NUMA node(s): 4 + Vendor ID: AuthenticAMD + CPU family: 25 + Model: 48 + Model name: AMD EPYC 7A53 64-Core Processor + Stepping: 1 + CPU MHz: 2000.000 + CPU max MHz: 3541.0149 + CPU min MHz: 1500.0000 + BogoMIPS: 3992.46 + Virtualization: AMD-V + L1d cache: 32K + L1i cache: 32K + L2 cache: 512K + L3 cache: 32768K + NUMA node0 CPU(s): 0-15,64-79 + NUMA node1 CPU(s): 16-31,80-95 + NUMA node2 CPU(s): 32-47,96-111 + NUMA node3 CPU(s): 48-63,112-127 + Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush mmx fxsr sse sse2 ht syscall nx mmxext fxsr_opt pdpe1gb rdtscp lm constant_tsc rep_good nopl nonstop_tsc cpuid extd_apicid aperfmperf pni pclmulqdq monitor ssse3 fma cx16 pcid sse4_1 sse4_2 x2apic movbe popcnt aes xsave avx f16c rdrand lahf_lm cmp_legacy svm extapic cr8_legacy abm sse4a misalignsse 3dnowprefetch osvw ibs wdt tce topoext perfctr_core perfctr_nb bpext perfctr_llc mwaitx cpb cat_l3 cdp_l3 invpcid_single hw_pstate ssbd mba ibrs ibpb stibp vmmcall fsgsbase bmi1 avx2 smep bmi2 erms invpcid cqm rdt_a rdseed adx smap clflushopt clwb sha_ni xsaveopt xsavec xgetbv1 xsaves cqm_llc cqm_occup_llc cqm_mbm_total cqm_mbm_local clzero irperf xsaveerptr wbnoinvd amd_ppin arat npt lbrv svm_lock nrip_save tsc_scale vmcb_clean flushbyasid decodeassists pausefilter pfthreshold avic v_vmsave_vmload vgif v_spec_ctrl umip pku ospke vaes vpclmulqdq rdpid overflow_recov succor smca fsrm + diff --git a/tests/C02C399E/golden.txt b/tests/C02C399E/golden.txt new file mode 100644 index 0000000000..573669cd39 --- /dev/null +++ b/tests/C02C399E/golden.txt @@ -0,0 +1,32 @@ +D/cons.1.00.000000.dat 1.1762331 1.1762331 1.1762331 1.1762331 1.1762331 1.1762331 1.1762331 1.1762331 1.1762331 1.1762331 1.1762331 1.1762331 1.1762331 1.1762331 1.1762331 1.1762331 1.1762331 1.1762331 1.1762331 1.1762331 1.1762331 1.1762331 1.1762331 1.1762331 1.1762331 1.1762331 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Clang v20.0.0 (/opt/cray/pe/craype/2.7.36/bin/cc) + Fortran : LLVMFlang v24.0.0 (/p/vast1/bryngelson1/afar/therock-afar-24.3.0-multiarch-10.1.0-592954c/bin/amdflang) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : ON + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /p/vast1/bryngelson1/mfc-tioga-item6m/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/cray/pe/craype/2.7.36/bin/cc + CXX : /opt/cray/pe/craype/2.7.36/bin/CC + FC : /p/vast1/bryngelson1/afar/therock-afar-24.3.0-multiarch-10.1.0-592954c/bin/amdflang + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +pre_process: + + CMake Configuration: + + CMake v3.24.2 on tioga37 + + C : Clang v20.0.0 (/opt/cray/pe/craype/2.7.36/bin/cc) + Fortran : LLVMFlang v24.0.0 (/p/vast1/bryngelson1/afar/therock-afar-24.3.0-multiarch-10.1.0-592954c/bin/amdflang) + + PRE_PROCESS : ON + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /p/vast1/bryngelson1/mfc-tioga-item6m/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/cray/pe/craype/2.7.36/bin/cc + CXX : /opt/cray/pe/craype/2.7.36/bin/CC + FC : /p/vast1/bryngelson1/afar/therock-afar-24.3.0-multiarch-10.1.0-592954c/bin/amdflang + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +simulation: + + CMake Configuration: + + CMake v3.24.2 on tioga37 + + C : Clang v20.0.0 (/opt/cray/pe/craype/2.7.36/bin/cc) + Fortran : LLVMFlang v24.0.0 (/p/vast1/bryngelson1/afar/therock-afar-24.3.0-multiarch-10.1.0-592954c/bin/amdflang) + + PRE_PROCESS : OFF + SIMULATION : ON + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /p/vast1/bryngelson1/mfc-tioga-item6m/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/cray/pe/craype/2.7.36/bin/cc + CXX : /opt/cray/pe/craype/2.7.36/bin/CC + FC : /p/vast1/bryngelson1/afar/therock-afar-24.3.0-multiarch-10.1.0-592954c/bin/amdflang + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +CPU: + + CPU Info: + From lscpu + Architecture: x86_64 + CPU op-mode(s): 32-bit, 64-bit + Byte Order: Little Endian + CPU(s): 128 + On-line CPU(s) list: 0-127 + Thread(s) per core: 2 + Core(s) per socket: 64 + Socket(s): 1 + NUMA node(s): 4 + Vendor ID: AuthenticAMD + CPU family: 25 + Model: 48 + Model name: AMD EPYC 7A53 64-Core Processor + Stepping: 1 + CPU MHz: 3062.991 + CPU max MHz: 3541.0149 + CPU min MHz: 1500.0000 + BogoMIPS: 3992.46 + Virtualization: AMD-V + L1d cache: 32K + L1i cache: 32K + L2 cache: 512K + L3 cache: 32768K + NUMA node0 CPU(s): 0-15,64-79 + NUMA node1 CPU(s): 16-31,80-95 + NUMA node2 CPU(s): 32-47,96-111 + NUMA node3 CPU(s): 48-63,112-127 + Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush mmx fxsr sse sse2 ht syscall nx mmxext fxsr_opt pdpe1gb rdtscp lm constant_tsc rep_good nopl nonstop_tsc cpuid extd_apicid aperfmperf pni pclmulqdq monitor ssse3 fma cx16 pcid sse4_1 sse4_2 x2apic movbe popcnt aes xsave avx f16c rdrand lahf_lm cmp_legacy svm extapic cr8_legacy abm sse4a misalignsse 3dnowprefetch osvw ibs wdt tce topoext perfctr_core perfctr_nb bpext perfctr_llc mwaitx cpb cat_l3 cdp_l3 invpcid_single hw_pstate ssbd mba ibrs ibpb stibp vmmcall fsgsbase bmi1 avx2 smep bmi2 erms invpcid cqm rdt_a rdseed adx smap clflushopt clwb sha_ni xsaveopt xsavec xgetbv1 xsaves cqm_llc cqm_occup_llc cqm_mbm_total cqm_mbm_local clzero irperf xsaveerptr wbnoinvd amd_ppin arat npt lbrv svm_lock nrip_save tsc_scale vmcb_clean flushbyasid decodeassists pausefilter pfthreshold avic v_vmsave_vmload vgif v_spec_ctrl umip pku ospke vaes vpclmulqdq rdpid overflow_recov succor smca fsrm + diff --git a/tests/F8D466BD/golden.txt b/tests/F8D466BD/golden.txt new file mode 100644 index 0000000000..fb7ef9dbd2 --- /dev/null +++ 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coordinates, and periodic boundaries in every active " - "direction. A mean_temp target requires mean_temp_gain G in (0, 4/3); a gain without a target is rejected." + "mean_qdot or mean_temp requires chemistry, Cartesian coordinates, periodic x, and periodic or wall (-15, -16) " + "boundaries in y and z. A mean_temp target requires mean_temp_gain G in (0, 4/3); a gain without a target is " + "rejected. mean_temp_wall (positive) requires a mean_temp target." ), }, "check_synthetic_turbulence": { @@ -1733,7 +1734,6 @@ def check_mean_pressure_gradient(self): f"mean_dpdx({i})/mean_mflux({i}) require periodic bc_{d} (-1) on both ends", ) self.prohibit(self.get("cyl_coord", "F") == "T", "mean_dpdx/mean_mflux require Cartesian coordinates") - self.prohibit(self.get("ib", "F") == "T", "mean_dpdx/mean_mflux do not support immersed boundaries") # The controller averages the coarse grid only; unchecked against refined blocks. self.prohibit(self.get("amr", "F") == "T", "mean_dpdx/mean_mflux have not been validated with amr") self._check_mean_controller_gain(any_ctrl, "mean_dpdx_gain", "mean_mflux") @@ -1748,26 +1748,52 @@ def _check_mean_controller_gain(self, ctrl: bool, gain_key: str, target: str): self.prohibit(not 0 < gain < 4.0 / 3.0, f"{gain_key} must be in (0, 4/3) for a stable controller") def check_mean_temperature_source(self): - """Checks the mean gas temperature source (mean_qdot, mean_temp, mean_temp_gain)""" + """Checks the mean gas temperature source (mean_qdot, mean_temp, mean_temp_gain, mean_temp_wall)""" ctrl = self.is_set("mean_temp") + wall = self.get("mean_temp_wall") + self.prohibit(wall is not None and not ctrl, "mean_temp_wall requires a mean_temp target") + if self._is_numeric(wall): + self.prohibit(wall <= 0, "mean_temp_wall must be positive") if not (ctrl or (self.get("mean_qdot", 0) or 0) != 0): self._check_mean_controller_gain(False, "mean_temp_gain", "mean_temp") return self.prohibit(self.get("chemistry", "F") != "T", "mean_qdot/mean_temp require chemistry") self.prohibit(self.get("cyl_coord", "F") == "T", "mean_qdot/mean_temp require Cartesian coordinates") - self.prohibit(self.get("ib", "F") == "T", "mean_qdot/mean_temp do not support immersed boundaries") # As for mean_dpdx: the controller averages the coarse grid only self.prohibit(self.get("amr", "F") == "T", "mean_qdot/mean_temp have not been validated with amr") dims = [("x", True), ("y", (self.get("n", 0) or 0) > 0), ("z", (self.get("p", 0) or 0) > 0)] for d, active in dims: + # x is the streamwise (mixing-cup) direction; walls may bound the others + ok, kinds = ([-1], "periodic (-1)") if d == "x" else ([-1, -15, -16], "periodic (-1) or wall (-15, -16)") self.prohibit( - active and (self.get(f"bc_{d}%beg") != -1 or self.get(f"bc_{d}%end") != -1), - f"mean_qdot/mean_temp require periodic bc_{d} (-1) on both ends", + active and (self.get(f"bc_{d}%beg") not in ok or self.get(f"bc_{d}%end") not in ok), + f"mean_qdot/mean_temp require {kinds} bc_{d} on both ends", ) temp = self.get("mean_temp") if ctrl and self._is_numeric(temp): self.prohibit(temp <= 0, "mean_temp must be positive") self._check_mean_controller_gain(ctrl, "mean_temp_gain", "mean_temp") + if self._is_numeric(wall) and ctrl: + # The developed-state decomposition needs psi = T - mean_temp_wall = 0 on every wall, and a held flow for the mixing cup + t_wall = wall + self.prohibit(self.get("chem_params%diffusion", "F") != "T", "mean_temp_wall requires chem_params%diffusion = T (the only conduction path)") + flux = self.get("mean_mflux(1)") + self.prohibit(not (self._is_numeric(flux) and flux > 0), "mean_temp_wall requires mean_mflux(1) > 0: the mixing-cup temperature needs a held streamwise flow") + for d, active in (("y", (self.get("n", 0) or 0) > 0), ("z", (self.get("p", 0) or 0) > 0)): + for side, tag in (("beg", "in"), ("end", "out")): + if not active or self.get(f"bc_{d}%{side}") not in (-15, -16): + continue + twall = self.get(f"bc_{d}%Twall_{tag}") + self.prohibit( + self.get(f"bc_{d}%isothermal_{tag}", "F") != "T" or not self._is_numeric(twall) or abs(twall - t_wall) > 1e-9 * t_wall, + f"mean_temp_wall requires bc_{d}%{side} to be isothermal at mean_temp_wall ({t_wall:g} K): set bc_{d}%isothermal_{tag} and bc_{d}%Twall_{tag}", + ) + for i in range(1, (self.get("num_ibs", 0) or 0) + 1): + twall = self.get(f"patch_ib({i})%Twall") + self.prohibit( + (self.get(f"patch_ib({i})%thermal_bc", 0) or 0) != 1 or not self._is_numeric(twall) or abs(twall - t_wall) > 1e-9 * t_wall, + f"mean_temp_wall requires patch_ib({i}) to be isothermal at mean_temp_wall ({t_wall:g} K): thermal_bc = 1 and Twall", + ) def check_viscosity(self): """Checks constraints on viscosity parameters""" diff --git a/toolchain/mfc/params/definitions.py b/toolchain/mfc/params/definitions.py index cfd92b7af1..f346c25af7 100644 --- a/toolchain/mfc/params/definitions.py +++ b/toolchain/mfc/params/definitions.py @@ -894,6 +894,7 @@ def _load(): _r("mean_qdot", REAL, math=r"\f$\dot q\f$") _r("mean_temp", REAL, math=r"\f$T_b^\ast\f$") _r("mean_temp_gain", REAL) + _r("mean_temp_wall", REAL, math=r"\f$T_s\f$") # Interfacial flow inputs _r("normMag", REAL) @@ -1531,6 +1532,7 @@ def _decl(targets: set, *names: str) -> None: "mean_qdot", "mean_temp", "mean_temp_gain", + "mean_temp_wall", "k_x", "k_y", "k_z", diff --git a/toolchain/mfc/params/descriptions.py b/toolchain/mfc/params/descriptions.py index 19d014ad66..7cb65372f8 100644 --- a/toolchain/mfc/params/descriptions.py +++ b/toolchain/mfc/params/descriptions.py @@ -268,8 +268,9 @@ "p_z": "Body force phase in z-direction", "mean_dpdx_gain": "Gain of the mean-pressure-gradient controller (0 < G < 4/3)", "mean_qdot": "Uniform volumetric heat source in fluid cells [W/m^3] (initial value if mean_temp is set)", - "mean_temp": "Target mass-averaged fluid temperature (enables the mean_qdot controller; chemistry only)", + "mean_temp": "Target mass-averaged fluid temperature, or the mixing-cup T_m with mean_temp_wall (enables the mean_qdot controller; chemistry only)", "mean_temp_gain": "Gain of the mean gas temperature controller (0 < G < 4/3)", + "mean_temp_wall": "Wall temperature T_s of a thermally developed (self-similar) state; makes the mean_temp source local", "bf_spatial_support": "Enable spatially supported body force (Wei & Freund, JFM 2005)", "spatial_bf%amp": "Spatially supported body force amplitude", "spatial_bf%x_centroid": "Streamwise center of the spatial forcing envelope", diff --git a/toolchain/mfc/test/cases.py b/toolchain/mfc/test/cases.py index 654b57fec1..e4de25ce11 100644 --- a/toolchain/mfc/test/cases.py +++ b/toolchain/mfc/test/cases.py @@ -1604,6 +1604,34 @@ def alter_ib(dimInfo, six_eqn_model=False, viscous=False, num_fluids=1): }, ) ) + # The mean-flux controller sums over fluid cells and leaves the body alone. + cases.append( + define_case_d( + stack, + "IBM -> Periodic Circle -> Mean Pressure Gradient", + { + "ib": "T", + "num_ibs": 1, + "fd_order": 2, + "bc_x%beg": -1, + "bc_x%end": -1, + "bc_y%beg": -1, + "bc_y%end": -1, + "patch_ib(1)%geometry": 2, + "patch_ib(1)%x_centroid": 0.0, + "patch_ib(1)%y_centroid": 0.0, + "patch_ib(1)%radius": 0.1, + "patch_icpp(1)%vel(1)": 0.001, + "patch_icpp(2)%vel(1)": 0.001, + "patch_icpp(3)%vel(1)": 0.001, + "patch_ib(1)%slip": "F", + "n": 49, + "mean_dpdx(1)": -0.5, + "mean_mflux(1)": 0.05, + "mean_dpdx_gain": 0.5, + }, + ) + ) cases.append( define_case_d( stack, @@ -3555,6 +3583,9 @@ def foreach_example(): # File-based IC (hcid=273/274/371) sized to the full grid; the Example # suite's m/n/p cap breaks it. Covered by the Chemistry golden tests. "2D_reacting_mixing_layer", + # Wall-bounded thermostat: its golden differed by up to 7e-3 between AMD and NVIDIA GPUs after five steps (the isothermal + # wall and the controller both go through the 1e-6 temperature solve), so it is checked by hand: the Nu = 7.541 runs. + "2D_thermal_channel", "2D_spatial_reacting_mixing_layer", "3D_reacting_mixing_layer", "2D_ibm_multiphase", @@ -4315,6 +4346,33 @@ def ibm_burn_rate_cases(): ) ) + # The thermostat on the reacting-surface cylinder in a periodic box: the source and the controller's sums skip the body. + ibm_thermostat_mods = { + "m": 24, + "n": 24, + "parallel_io": "F", + "t_stop": 2.0e-5, + "t_save": 2.0e-5, + "bc_x%beg": -1, + "bc_x%end": -1, + "bc_x%grcbc_in": "F", + "mean_temp": 400.0, + "mean_temp_gain": 0.001, # small, so the source stays near its initial value and the golden is portable across vendors + # The controller needs a constant time step (#2194) + "cfl_adap_dt": "F", + "cfl_const_dt": "T", + } + for label, extra in (("Thermostat", {}), ("Thermostat -> Wall Temperature", {"mean_temp_wall": 1200.0, "mean_mflux(1)": 1.0, "mean_dpdx_gain": 0.001})): + cases.append( + define_case_f( + f"2D -> Chemistry -> IBM Reacting Surface -> {label}", + "examples/2D_ibm_reacting_surface/case.py", + mods={**ibm_thermostat_mods, **extra}, + # The reacting surface solves an iterative equation: compilers differ by ~1e-7 (like the other reacting-surface cases) + override_tol=1e-6, + ) + ) + def direction_symmetry_tests(): """3D tests with shock propagating in x and y directions. diff --git a/toolchain/mfc/test_case_validator.py b/toolchain/mfc/test_case_validator.py index 208fa5b687..fe39a8f806 100644 --- a/toolchain/mfc/test_case_validator.py +++ b/toolchain/mfc/test_case_validator.py @@ -56,6 +56,19 @@ "patch_icpp(1)%vel(2)": 0.0, } +# A fixed no-slip circle in a 2D periodic box. +CYLINDER = { + **{k: v for k, v in BASE_2D.items() if k not in BASE}, + "n": 50, + "ib": "T", + "num_ibs": 1, + "fd_order": 2, + "patch_ib(1)%geometry": 2, + "patch_ib(1)%x_centroid": 0.5, + "patch_ib(1)%y_centroid": 0.5, + "patch_ib(1)%radius": 0.1, +} + # A reactive-burn case satisfying every rburn constraint. REACTIVE_BURN = { **BASE, @@ -190,8 +203,8 @@ def test_rejects_nonperiodic(self): def test_rejects_inactive_direction(self): self.assertRejects({**BASE, "mean_dpdx(2)": -1.0}, "inactive direction") - def test_rejects_ib(self): - self.assertRejects({**BASE, "ib": "T", "mean_dpdx(1)": -1.0}, "do not support immersed boundaries") + def test_accepts_ib(self): + self.assertAccepts({**BASE, **CYLINDER, "mean_dpdx(1)": -1.0}) def test_rejects_amr(self): self.assertRejects({**BASE, "amr": "T", "mean_dpdx(1)": -1.0}, "have not been validated with amr") @@ -214,6 +227,22 @@ def test_rejects_a_controller_under_adaptive_dt(self): class TestMeanTemperatureSource(ConstraintTestCase): PERIODIC = {**CHEMISTRY, "bc_x%beg": -1, "bc_x%end": -1} + WALL_CHANNEL = { + **PERIODIC, + "n": 10, + "bc_y%beg": -16, + "bc_y%end": -16, + "bc_y%isothermal_in": "T", + "bc_y%isothermal_out": "T", + "bc_y%Twall_in": 330.0, + "bc_y%Twall_out": 330.0, + "chem_params%diffusion": "T", + "mean_mflux(1)": 1.0, + "mean_dpdx_gain": 0.5, + "mean_temp": 300.0, + "mean_temp_gain": 0.1, + "mean_temp_wall": 330.0, + } def test_accepts_controller(self): self.assertAccepts({**self.PERIODIC, "mean_temp": 1500.0, "mean_temp_gain": 0.1}) @@ -222,10 +251,10 @@ def test_rejects_no_chemistry(self): self.assertRejects({**BASE, "mean_qdot": 1.0e6}, "require chemistry") def test_rejects_nonperiodic(self): - self.assertRejects({**CHEMISTRY, "bc_x%end": -3, "mean_qdot": 1.0e6}, "require periodic bc_x") + self.assertRejects({**CHEMISTRY, "bc_x%end": -3, "mean_qdot": 1.0e6}, "require periodic (-1) bc_x") - def test_rejects_ib(self): - self.assertRejects({**self.PERIODIC, "ib": "T", "mean_qdot": 1.0e6}, "do not support immersed boundaries") + def test_accepts_ib(self): + self.assertAccepts({**self.PERIODIC, **CYLINDER, "mean_qdot": 1.0e6}) def test_rejects_amr(self): self.assertRejects({**self.PERIODIC, "amr": "T", "mean_qdot": 1.0e6}, "mean_qdot/mean_temp have not been validated with amr") @@ -236,6 +265,31 @@ def test_rejects_missing_gain(self): def test_rejects_orphan_gain(self): self.assertRejects({**self.PERIODIC, "mean_temp_gain": 0.1}, "no mean_temp target") + def test_accepts_wall_channel(self): + self.assertAccepts(self.WALL_CHANNEL) + + def test_wall_temperature_needs_isothermal_walls_conduction_and_a_held_flow(self): + chan = self.WALL_CHANNEL + self.assertRejects({**chan, "bc_y%Twall_in": 350.0}, "bc_y%beg to be isothermal at mean_temp_wall") + self.assertRejects({**chan, "bc_y%isothermal_out": "F"}, "bc_y%end to be isothermal at mean_temp_wall") + self.assertRejects({**chan, "chem_params%diffusion": "F"}, "requires chem_params%diffusion = T") + self.assertRejects({k: v for k, v in chan.items() if k != "mean_mflux(1)"}, "requires mean_mflux(1) > 0") + + def test_wall_temperature_needs_isothermal_bodies(self): + body = {**self.WALL_CHANNEL, **CYLINDER, "patch_ib(1)%thermal_bc": 1, "patch_ib(1)%Twall": 330.0, "bc_y%beg": -1, "bc_y%end": -1, "bc_y%isothermal_in": "F", "bc_y%isothermal_out": "F"} + self.assertAccepts(body) + self.assertRejects({**body, "patch_ib(1)%Twall": 400.0}, "patch_ib(1) to be isothermal at mean_temp_wall") + self.assertRejects({**body, "patch_ib(1)%thermal_bc": 0}, "patch_ib(1) to be isothermal at mean_temp_wall") + + def test_rejects_open_y(self): + self.assertRejects({**self.PERIODIC, "n": 10, "bc_y%beg": -3, "bc_y%end": -1, "mean_qdot": 1.0e6}, "wall (-15, -16) bc_y") + + def test_rejects_orphan_wall_temperature(self): + self.assertRejects({**self.PERIODIC, "mean_qdot": 1.0e6, "mean_temp_wall": 330.0}, "mean_temp_wall requires a mean_temp") + + def test_rejects_nonpositive_wall_temperature(self): + self.assertRejects({**self.PERIODIC, "mean_temp": 300.0, "mean_temp_gain": 0.1, "mean_temp_wall": 0.0}, "mean_temp_wall must be positive") + def test_rejects_a_controller_under_adaptive_dt(self): self.assertRejects({**self.PERIODIC, "mean_temp": 1500.0, "mean_temp_gain": 0.1, "cfl_adap_dt": "T"}, "mean_temp requires a constant time step") self.assertAccepts({**self.PERIODIC, "mean_temp": 1500.0, "mean_temp_gain": 0.1, "cfl_const_dt": "T"})