diff --git a/.claude/rules/common-pitfalls.md b/.claude/rules/common-pitfalls.md index bf3dfc53c3..c4838f4c62 100644 --- a/.claude/rules/common-pitfalls.md +++ b/.claude/rules/common-pitfalls.md @@ -59,6 +59,23 @@ covered in `docs/documentation/contributing.md`. Gotcha: ADDING a new file under `toolchain/mfc/params/` needs one reconfigure (the custom command's DEPENDS list is globbed at configure time). Under `--case-optimization` the baked-in constants are dropped from the namelist, so changing one needs a *rebuild*, not a case edit. +- Derived-type params (`chem_params`, `lag_params`, `rburn`) are NOT auto-broadcast: + `generated_bcast.fpp` covers namelist *scalars* only. Each type needs a hand-written + `_emit_` in `toolchain/mfc/params/generators/fortran_gen.py` plus its call site in + the `target == "sim"` block, and — if it is read on device — an explicit + `$:GPU_UPDATE(device='[name]')` in BOTH `m_global_parameters.fpp` and `m_start_up.fpp` + (`GPU_DECLARE` alone does not make it device-resident). Regrouping scalars into a derived + type silently drops their broadcast, so every non-root rank keeps the `dflt_real` + sentinel; single-rank goldens cannot see this, so pair such a change with a `ppn=2` test + and confirm it fails without the emitter. +- A `patch_ib` member that any `m_ibm` ghost-point code reads must ALSO be set in + `s_add_cloud_particle` (`src/simulation/m_particle_cloud.fpp`): `particle_cloud_ibs` is + `allocate`d without default initialization, and `s_reduce_ib_patch_array` copies the whole + struct into `patch_ib`, overwriting the defaults from + `s_assign_default_values_to_user_inputs`. Anything left unset reaches the solver as + uninitialized memory, and only where the allocation is not already zero-filled — a + garbage `v_blow` failed Frontier AMD with `ICFL is NaN` while every NVIDIA lane and all + local CPU/GPU runs passed. A platform-only NaN is the signature of this class. - Shared-state pattern: namelist declarations (`#:include 'generated_decls.fpp'`), the `eqn_idx`/`sys_size`/`b_size`/`tensor_size` state variables, and the common defaults core all live in `src/common/m_global_parameters_common.fpp`. Each per-target diff --git a/docs/documentation/case.md b/docs/documentation/case.md index bf61218e7d..2732ba69eb 100644 --- a/docs/documentation/case.md +++ b/docs/documentation/case.md @@ -1129,9 +1129,17 @@ Note: For relativistic flow, the conservative and primitive densities are differ | `tau_star` | Real | Threshold stress for continuum damage model | | `cont_damage_s` | Real | Power `s` for continuum damage model | | `alpha_bar` | Real | Damage factor (rate) for continuum damage model | +| `reactive_burn` | Logical | Enable condensed-phase reactive burn | +| `rburn%%k` | Real | Reactive-burn rate coefficient [1/s] | +| `rburn%%pign` | Real | Reactive-burn ignition pressure threshold [Pa] | +| `rburn%%pref` | Real | Reactive-burn reference pressure for the drive [Pa] | +| `rburn%%n` | Real | Reactive-burn pressure-drive exponent | +| `rburn%%ta` | Real | Reactive-burn activation temperature [K] (0 = off) | - `cont_damage` activates continuum damage model for solid materials. Requires `tau_star`, `cont_damage_s`, and `alpha_bar` to be set (empirically determined) (\cite Cao19). +- `reactive_burn` converts a "reactant" fluid into a "product" fluid (`num_fluids = 2`, ``chemistry = 'F'``) via a programmed pressure burn `dlambda/dt = rburn%%k (1 - lambda) ((p - rburn%%pign)/rburn%%pref)^rburn%%n`. The two fluids share the same `gamma`/`pi_inf` and differ only in `qv`, so the conversion releases `qv` through the mixture EOS — a reactive-Euler/ZND detonation model on the diffuse-interface framework. It runs on the 5-equation (`model_eqns = 2`) and 6-equation (`model_eqns = 3`) multi-fluid models. Setting `rburn%%ta > 0` multiplies the rate by an Arrhenius factor `exp(-rburn%%ta/T)`, where `T` is the reactant phasic temperature, giving temperature-driven ignition instead of a pure pressure switch. + ### 16. Cylindrical Coordinates When ``cyl_coord = 'T'`` is set in 3D the following constraints must be met: diff --git a/docs/module_categories.json b/docs/module_categories.json index 1391908cad..a48f8b023a 100644 --- a/docs/module_categories.json +++ b/docs/module_categories.json @@ -22,6 +22,7 @@ "m_viscous", "m_hb_function", "m_surface_tension", + "m_reactive_burn", "m_bubbles", "m_bubbles_EE", "m_bubbles_EL", diff --git a/examples/1D_propellant_flame/case.py b/examples/1D_propellant_flame/case.py new file mode 100644 index 0000000000..ff268a9110 --- /dev/null +++ b/examples/1D_propellant_flame/case.py @@ -0,0 +1,120 @@ +#!/usr/bin/env python3 +# 1D premixed H2/O2/Ar deflagration: a self-propagating premixed flame, used +# as a stand-in for a solid-propellant burn front. A hot equilibrium-product +# kernel at the left end ignites a flame that eats into the fresh premix. +import argparse +import json + +import cantera as ct + +parser = argparse.ArgumentParser(prog="1D_propellant_flame") +parser.add_argument("--mfc", type=json.loads, default="{}", metavar="DICT", help="MFC toolchain state.") +parser.add_argument("--length", type=float, default=0.008, help="Domain length [m].") +parser.add_argument("--m", type=int, default=200, help="Number of grid cells.") +parser.add_argument("--kernel", type=float, default=1e-3, help="Ignition-kernel width at the left end [m].") +parser.add_argument("--ar", type=float, default=3.0, help="Ar dilution (H2:2,O2:1,AR:); higher = calmer/slower flame.") +parser.add_argument("--tend", type=float, default=1.2e-4, help="Physical end time [s].") +parser.add_argument("--cfl", type=float, default=0.35, help="Target acoustic CFL number.") +parser.add_argument("--frames", type=int, default=10, help="Number of saved output frames (raise for a smooth movie).") +args = parser.parse_args() + +ctfile = "h2o2.yaml" +X = f"H2:2,O2:1,AR:{args.ar}" +T0, P0 = 300.0, 101325.0 + +# Fresh premixed reactants (fill the domain). +fresh = ct.Solution(ctfile) +fresh.TPX = T0, P0, X + +# Ignition kernel: constant-pressure (isobaric) equilibrium products of the +# same mixture -> a thermodynamically self-consistent hot patch (T, rho, Y +# all from Cantera) that ignites a flame without an initial pressure jump. +burned = ct.Solution(ctfile) +burned.TPX = T0, P0, X +burned.equilibrate("HP") + +L = args.length +Nx = args.m +dx = L / Nx + +c_max = max(fresh.sound_speed, burned.sound_speed) +dt = args.cfl * dx / c_max + +NT = int(args.tend / dt) +NS = max(1, NT // args.frames) + +case = { + "run_time_info": "T", + # Domain + "x_domain%beg": 0.0, + "x_domain%end": L, + "m": Nx, + "n": 0, + "p": 0, + "dt": float(dt), + "t_step_start": 0, + "t_step_stop": NT, + "t_step_save": NS, + "t_step_print": NS, + "parallel_io": "T", + # Algorithm + "model_eqns": 2, + "num_fluids": 1, + "num_patches": 2, + "mpp_lim": "F", + "mixture_err": "F", + "time_stepper": 3, + "weno_order": 5, + "weno_eps": 1e-16, + "weno_avg": "F", + "mapped_weno": "T", + "mp_weno": "T", + "riemann_solver": 2, + "wave_speeds": 2, + "avg_state": 1, + # BCs: left reflective wall, right outflow + "bc_x%beg": -2, + "bc_x%end": -3, + # Flame is diffusion-controlled: viscous + species/thermal diffusion on + "viscous": "T", + "chemistry": "T", + "chem_params%diffusion": "T", + "chem_params%reactions": "T", + "chem_params%transport_model": 2, + "cantera_file": ctfile, + # Output + "format": "silo", + "precision": "double", + "prim_vars_wrt": "T", + "chem_wrt_T": "T", + # Patch 1: fresh premix, whole domain + "patch_icpp(1)%geometry": 1, + "patch_icpp(1)%x_centroid": L / 2, + "patch_icpp(1)%length_x": L, + "patch_icpp(1)%vel(1)": 0.0, + "patch_icpp(1)%pres": fresh.P, + "patch_icpp(1)%alpha(1)": 1.0, + "patch_icpp(1)%alpha_rho(1)": fresh.density, + # Patch 2: hot equilibrium-product ignition kernel, left end + "patch_icpp(2)%geometry": 1, + "patch_icpp(2)%alter_patch(1)": "T", + "patch_icpp(2)%x_centroid": args.kernel / 2, + "patch_icpp(2)%length_x": args.kernel, + "patch_icpp(2)%vel(1)": 0.0, + "patch_icpp(2)%pres": burned.P, + "patch_icpp(2)%alpha(1)": 1.0, + "patch_icpp(2)%alpha_rho(1)": burned.density, + # Fluid EOS (ideal-gas closure is bypassed by chemistry, but gamma/Re must be set) + "fluid_pp(1)%gamma": 1.0 / (1.4 - 1.0), + "fluid_pp(1)%pi_inf": 0.0, + "fluid_pp(1)%Re(1)": 1.0 / fresh.viscosity, +} + +# Species mass fractions per patch + OH output (flame marker) +for i in range(fresh.n_species): + case[f"patch_icpp(1)%Y({i + 1})"] = float(fresh.Y[i]) + case[f"patch_icpp(2)%Y({i + 1})"] = float(burned.Y[i]) +case[f"chem_wrt_Y({fresh.species_index('OH') + 1})"] = "T" + +if __name__ == "__main__": + print(json.dumps(case)) diff --git a/examples/1D_reactive_burn/case.py b/examples/1D_reactive_burn/case.py new file mode 100644 index 0000000000..c8be4ce134 --- /dev/null +++ b/examples/1D_reactive_burn/case.py @@ -0,0 +1,124 @@ +#!/usr/bin/env python3 +# 1D condensed-phase detonation via programmed pressure burn (reactive_burn). +# A dense stiffened-gas "reactant" is converted to a "product" fluid that shares +# the same mechanical EOS (gamma, pi_inf) but has a lower reference energy qv -- +# so reactant -> product releases (qv_reactant - qv_product) per unit mass through +# the mixture EOS, with no explicit energy source. A high-pressure initiator at the +# left end launches a shock; where the shock raises the pressure above rburn%pign +# the reactant burns, and the energy release sustains a self-propagating detonation +# (von Neumann spike + Taylor rarefaction, near-CJ speed). Multi-fluid model, +# chemistry OFF -- this deliberately bypasses the Cantera num_fluids=1 lock. +import argparse +import json + +parser = argparse.ArgumentParser(prog="1D_reactive_burn") +parser.add_argument("--mfc", type=json.loads, default="{}", metavar="DICT", help="MFC toolchain state.") +parser.add_argument("--res", type=float, default=1.0, help="Resolution multiplier: m=3000*res.") +parser.add_argument("--tend", type=float, default=8.0e-6, help="Physical end time [s].") +parser.add_argument("--frames", type=int, default=80, help="Number of saved output frames.") +parser.add_argument("--model", type=int, choices=[2, 3], default=2, help="Multi-fluid model: 2 = 5-equation, 3 = 6-equation.") +args = parser.parse_args() + +# 6-eq needs both phases present everywhere (its pressure-relaxation Newton solve is singular +# on a zero-volume phase); seed a trace of product. 5-eq starts pure reactant. +eps = 1.0e-6 if args.model == 3 else 0.0 +a1, a2 = 1.0 - eps, eps + +# --- Stiffened-gas EOS shared by reactant and product (mechanically identical) --- +Gamma = 3.0 # physical adiabatic exponent +Pi = 6.0e8 # stiffening pressure [Pa] +gamma_p = 1.0 / (Gamma - 1.0) # MFC gamma parameter +pi_inf_p = Gamma * Pi / (Gamma - 1.0) # MFC pi_inf parameter +Q = 4.0e6 # heat of reaction [J/kg] (reactant qv; product qv = 0) + +rho0 = 1600.0 # reactant density [kg/m^3] +p0 = 1.0e5 # ambient pressure [Pa] +c0 = (Gamma * (p0 + Pi) / rho0) ** 0.5 # reactant sound speed + +# Domain +L = 0.06 +m = int(3000 * args.res) +dx = L / m +x_init = 0.004 # initiator occupies the left 4 mm +p_init = 5.0e9 # initiator pressure [Pa] -> launches an igniting shock + +# CJ-scale detonation speed sets dt. +D_guess = 8000.0 +cfl = 0.3 +dt = cfl * dx / (D_guess + c0) +NT = int(args.tend / dt) +NS = max(1, NT // args.frames) + +case = { + "run_time_info": "T", + "x_domain%beg": 0.0, + "x_domain%end": L, + "m": m, + "n": 0, + "p": 0, + "dt": float(dt), + "t_step_start": 0, + "t_step_stop": NT, + "t_step_save": NS, + "t_step_print": max(1, NT // 20), + "parallel_io": "T", + # Algorithm + "model_eqns": args.model, + "num_fluids": 2, + "num_patches": 2, + "mpp_lim": "T", + "mixture_err": "T", + "time_stepper": 3, + "weno_order": 5, + "weno_eps": 1e-16, + "mapped_weno": "T", + "mp_weno": "T", + "weno_avg": "F", + "riemann_solver": "hllc", + "wave_speeds": "direct", + "avg_state": "arithmetic", + # Reactant reflects at the initiator wall; open at the far end. + "bc_x%beg": -2, + "bc_x%end": -3, + # Condensed-phase reactive burn + "reactive_burn": "T", + "rburn%k": 5.0e6, # rate coefficient [1/s] + "rburn%pign": 5.0e8, # ignition pressure threshold [Pa] + "rburn%pref": 1.0e9, # reference pressure for the pressure drive [Pa] + "rburn%n": 1.0, # pressure exponent + # Output + "format": "silo", + "precision": "double", + "prim_vars_wrt": "T", + # Patch 1: unreacted reactant fills the domain (fluid 1) + "patch_icpp(1)%geometry": 1, + "patch_icpp(1)%x_centroid": L / 2, + "patch_icpp(1)%length_x": L, + "patch_icpp(1)%vel(1)": 0.0, + "patch_icpp(1)%pres": p0, + "patch_icpp(1)%alpha_rho(1)": rho0 * a1, + "patch_icpp(1)%alpha_rho(2)": rho0 * a2, + "patch_icpp(1)%alpha(1)": a1, + "patch_icpp(1)%alpha(2)": a2, + # Patch 2: high-pressure initiator (reactant), left end + "patch_icpp(2)%geometry": 1, + "patch_icpp(2)%alter_patch(1)": "T", + "patch_icpp(2)%x_centroid": x_init / 2, + "patch_icpp(2)%length_x": x_init, + "patch_icpp(2)%vel(1)": 0.0, + "patch_icpp(2)%pres": p_init, + "patch_icpp(2)%alpha_rho(1)": rho0 * a1, + "patch_icpp(2)%alpha_rho(2)": rho0 * a2, + "patch_icpp(2)%alpha(1)": a1, + "patch_icpp(2)%alpha(2)": a2, + # Fluid EOS: reactant (1) and product (2) share gamma/pi_inf, differ only in qv. + "fluid_pp(1)%gamma": gamma_p, + "fluid_pp(1)%pi_inf": pi_inf_p, + "fluid_pp(1)%qv": Q, + "fluid_pp(2)%gamma": gamma_p, + "fluid_pp(2)%pi_inf": pi_inf_p, + "fluid_pp(2)%qv": 0.0, +} + +if __name__ == "__main__": + print(json.dumps(case)) diff --git a/examples/2D_hybrid_slab/case.py b/examples/2D_hybrid_slab/case.py new file mode 100644 index 0000000000..17dee1fe08 --- /dev/null +++ b/examples/2D_hybrid_slab/case.py @@ -0,0 +1,150 @@ +#!/usr/bin/env python3 +# 2D hybrid-rocket fuel slab: a boundary-layer diffusion flame sustained by +# prescribed surface fuel injection. Hot O2/Ar crossflow meets H2 blown in +# through a Dirichlet strip on the bottom wall, approximating steady solid-fuel +# regression without modeling the solid itself. Chemistry ON with diffusion +# ON (unlike the shock-driven detonation case) since this is a diffusion flame. +import argparse +import json +import sys + +import cantera as ct + +parser = argparse.ArgumentParser(prog="2D_hybrid_slab") +parser.add_argument("--mfc", type=json.loads, default="{}", metavar="DICT", help="MFC toolchain state.") +parser.add_argument("--tend", type=float, default=1.2e-3, help="Physical end time [s] (~1 crossflow flow-through Lx/u_ox so the wall-injected flame anchors, not just the startup transient).") +parser.add_argument("--res", type=float, default=1.0, help="Resolution multiplier: m=200*res, n=50*res.") +parser.add_argument("--frames", type=int, default=5, help="Number of saved output frames.") +args = parser.parse_args() + +ctfile = "h2o2.yaml" + +# --- Domain: x = crossflow direction, y = wall-normal. --- +Lx, Ly = 0.08, 0.02 # 8 cm x 2 cm +Nx = int(200 * args.res) +Ny = int(50 * args.res) +dx, dy = Lx / Nx, Ly / Ny + +# Oxidizer crossflow (fills domain, enters at bc_x%beg): hot enough to ignite +# H2 on contact (H2/O2 chain-branching crossover is ~1100 K; 1500 K gives a +# short ignition delay so the flame anchors close to the injection strip). +oxidizer = ct.Solution(ctfile) +oxidizer.TPX = 1500.0, 101325.0, "O2:1,AR:3" +u_ox = 75.0 # crossflow velocity [m/s] + +# Fuel blown normal to the wall through a strip on bc_y%beg (models steady +# regression of a solid fuel slab without simulating the solid). +fuel = ct.Solution(ctfile) +fuel.TPX = 600.0, 101325.0, "H2:1" +v_blow = 5.0 # wall-normal blowing velocity [m/s] + +print(f"oxidizer: T={oxidizer.T:.1f} K rho={oxidizer.density:.4f} c={oxidizer.sound_speed:.1f} m/s", file=sys.stderr) +print(f"fuel: T={fuel.T:.1f} K rho={fuel.density:.4f} c={fuel.sound_speed:.1f} m/s", file=sys.stderr) + +# Fuel injection strip: x = [2 cm, 6 cm] on the bottom wall. +x_fuel_beg, x_fuel_end = 0.02, 0.06 + +# Explicit-solver CFL from the fastest signal (sound speed dominates; the +# blowing/crossflow velocities are subsonic). +c_max = max(oxidizer.sound_speed, fuel.sound_speed) +u_max = max(u_ox, v_blow) +cfl = 0.3 +dt = cfl * dx / (u_max + c_max) + +NT = int(args.tend / dt) +NS = max(1, NT // args.frames) +NP = max(1, NT // 20) + +case = { + "run_time_info": "T", + # Domain + "x_domain%beg": 0.0, + "x_domain%end": Lx, + "y_domain%beg": 0.0, + "y_domain%end": Ly, + "m": Nx, + "n": Ny, + "p": 0, + "dt": float(dt), + "t_step_start": 0, + "t_step_stop": NT, + "t_step_save": NS, + "t_step_print": NP, + "parallel_io": "T", + # Algorithm + "model_eqns": "5eq", + "num_fluids": 1, + "num_patches": 2, + "mpp_lim": "F", + "mixture_err": "F", + "weno_avg": "F", + "time_stepper": "rk3", + "weno_order": 5, + "weno_eps": 1e-16, + "mapped_weno": "T", + "mp_weno": "T", + "riemann_solver": "hllc", + "wave_speeds": "direct", + "avg_state": "arithmetic", + "viscous": "T", + # BCs: hot oxidizer Dirichlet inflow, extrapolated outlet, no-slip wall with + # a Dirichlet fuel-injection strip, extrapolated (open) top. + "bc_x%beg": -17, + "bc_x%end": -3, + "bc_y%beg": -16, + "bc_y%end": -3, + "num_bc_patches": 1, + "patch_bc(1)%geometry": 1, + "patch_bc(1)%type": -17, + "patch_bc(1)%dir": 2, + "patch_bc(1)%loc": -1, + "patch_bc(1)%centroid(1)": (x_fuel_beg + x_fuel_end) / 2, + "patch_bc(1)%length(1)": x_fuel_end - x_fuel_beg, + # Chemistry + "chemistry": "T", + "chem_params%diffusion": "T", + "chem_params%reactions": "T", + "cantera_file": ctfile, + # Output + "format": "silo", + "precision": "double", + "prim_vars_wrt": "T", + "chem_wrt_T": "T", + # Patch 1: hot oxidizer crossflow, whole domain + "patch_icpp(1)%geometry": 3, + "patch_icpp(1)%x_centroid": Lx / 2, + "patch_icpp(1)%y_centroid": Ly / 2, + "patch_icpp(1)%length_x": Lx, + "patch_icpp(1)%length_y": Ly, + "patch_icpp(1)%vel(1)": u_ox, + "patch_icpp(1)%vel(2)": 0.0, + "patch_icpp(1)%pres": oxidizer.P, + "patch_icpp(1)%alpha(1)": 1.0, + "patch_icpp(1)%alpha_rho(1)": oxidizer.density, + # Patch 2: fuel injection strip, first wall-adjacent cell row only (this + # row is what gets frozen into the Dirichlet ghost-cell buffer). + "patch_icpp(2)%geometry": 3, + "patch_icpp(2)%alter_patch(1)": "T", + "patch_icpp(2)%x_centroid": (x_fuel_beg + x_fuel_end) / 2, + "patch_icpp(2)%y_centroid": dy / 2, + "patch_icpp(2)%length_x": x_fuel_end - x_fuel_beg, + "patch_icpp(2)%length_y": dy, + "patch_icpp(2)%vel(1)": 0.0, + "patch_icpp(2)%vel(2)": v_blow, + "patch_icpp(2)%pres": fuel.P, + "patch_icpp(2)%alpha(1)": 1.0, + "patch_icpp(2)%alpha_rho(1)": fuel.density, + # Fluid EOS (ideal-gas closure is bypassed by chemistry, but gamma/Re must be set) + "fluid_pp(1)%gamma": 1.0 / (1.4 - 1.0), + "fluid_pp(1)%pi_inf": 0.0, + "fluid_pp(1)%Re(1)": 1.0 / oxidizer.viscosity, # mu = 1/Re; use the physical O2/Ar viscosity at T0 +} + +# Species mass fractions per patch + per-species output +for i in range(len(oxidizer.Y)): + case[f"chem_wrt_Y({i + 1})"] = "T" + case[f"patch_icpp(1)%Y({i + 1})"] = float(oxidizer.Y[i]) + case[f"patch_icpp(2)%Y({i + 1})"] = float(fuel.Y[i]) + +if __name__ == "__main__": + print(json.dumps(case)) diff --git a/examples/2D_ibm_burning_grain/case.py b/examples/2D_ibm_burning_grain/case.py new file mode 100644 index 0000000000..1e1aab23bb --- /dev/null +++ b/examples/2D_ibm_burning_grain/case.py @@ -0,0 +1,174 @@ +#!/usr/bin/env python3 +# 2D solid-propellant "burning grain": a solid cylinder (immersed boundary) that +# INJECTS fuel (pure H2) off its surface into a hot O2/Ar oxidizer chamber. The +# injected H2 auto-ignites against the hot oxidizer and anchors a diffusion flame +# on the injecting surface -- the essential solid-rocket-motor picture (surface +# fuel injection + combustion). Enabled by two new IB knobs: +# patch_ib(i)%v_blow -- wall-normal surface blowing speed [m/s] +# patch_ib(i)%inj_species -- injected species index (1 = H2 in this mechanism) +# Both default off, so non-burning IBM is unchanged. Builds on the IBM+chemistry +# ghost-state fix (m_ibm.fpp): the injecting surface sets a thermodynamically +# consistent reacting ghost state. +# +# --burn_exp n makes the injection pressure-coupled (Vieille's law: v_blow scales +# with the local surface pressure as (p/p0)^n). In this closed chamber that gives +# internal-ballistics feedback -- combustion raises the pressure, which raises the +# burn rate, which raises the pressure -- an accelerating self-pressurization. +import argparse +import json + +import cantera as ct + +parser = argparse.ArgumentParser(prog="2D_ibm_burning_grain") +parser.add_argument("--mfc", type=json.loads, default="{}", metavar="DICT", help="MFC toolchain state.") +parser.add_argument("--burn_exp", type=float, default=0.0, help="Pressure exponent n in Vieille's law v_blow*(p/p0)^n; 0 = constant injection.") +parser.add_argument("--tend", type=float, default=1.5e-4, help="Physical end time [s].") +parser.add_argument("--res", type=float, default=1.0, help="Resolution multiplier: 2D m=160*res, n=120*res; 3D m=120*res, n=p=90*res.") +parser.add_argument("--ndim", type=int, default=2, choices=(2, 3), help="Spatial dimensions: 2 = cylindrical grain (circle IB), 3 = spherical grain (sphere IB).") +args = parser.parse_args() +is_3d = args.ndim == 3 + +ctfile = "h2o2.yaml" +# Hot oxidizer chamber (no fuel): injected H2 meets hot O2 and ignites. +X = "O2:1,AR:3" +T0, P0 = 1200.0, 101325.0 # above the H2/O2 crossover -> prompt surface ignition + +ox = ct.Solution(ctfile) +ox.TPX = T0, P0, X +rho0 = ox.density +mu0 = ox.viscosity +c0 = ox.sound_speed + +# Chamber: 4 cm x 3 cm (x 3 cm in 3D), solid fuel grain at the center. +Lx, Ly, Lz = 0.04, 0.03, 0.03 +r_cyl = 0.004 +if is_3d: + # Octant symmetry: a centered sphere in a slip-walled cubic chamber is symmetric about + # all three midplanes, so simulate ONE eighth -- the sphere sits at the inner corner and + # the three inner faces are slip (= symmetry) walls, identical to the closed-chamber walls. + # This puts 2x the resolution per dimension on the sphere/flame for the same cost; the + # renderer mirrors the octant back to the full sphere. + Dx, Dy, Dz = Lx / 2, Ly / 2, Lz / 2 + m, n, p = int(160 * args.res), int(120 * args.res), int(120 * args.res) + x_cyl, y_cyl, z_cyl = 0.0, 0.0, 0.0 # sphere centroid on the symmetry corner +else: + Dx, Dy, Dz = Lx, Ly, Lz + m, n, p = int(160 * args.res), int(120 * args.res), 0 + x_cyl, y_cyl, z_cyl = Lx / 2, Ly / 2, Lz / 2 +dx = Dx / m +ib_geom = 8 if is_3d else 2 # sphere (3D) / circle (2D) +patch_geom = 9 if is_3d else 3 # box (3D) / rectangle (2D) + +v_blow = 20.0 # surface fuel-injection (blowing) speed [m/s] + +# dt from the acoustic CFL; small for explicit chemistry stability. +cfl = 0.05 +dt = cfl * dx / (v_blow + c0) +tend = args.tend +NT = int(tend / dt) +NS = max(1, NT // 60) + +case = { + "run_time_info": "T", + "x_domain%beg": 0.0, + "x_domain%end": Dx, + "y_domain%beg": 0.0, + "y_domain%end": Dy, + "m": m, + "n": n, + "p": p, + "cyl_coord": "F", + "dt": float(dt), + "t_step_start": 0, + "t_step_stop": NT, + "t_step_save": NS, + "t_step_print": NS, + "parallel_io": "T", + # Algorithm + "model_eqns": 2, + "num_fluids": 1, + "num_patches": 1, + "mpp_lim": "F", + "mixture_err": "T", + "time_stepper": 3, + "weno_order": 5, + "weno_eps": 1e-16, + "mapped_weno": "T", + "mp_weno": "T", + "weno_avg": "T", + "weno_Re_flux": "T", + "null_weights": "F", + "riemann_solver": "hllc", + "wave_speeds": "direct", + "avg_state": "arithmetic", + "fd_order": 2, + "viscous": "T", + # Closed chamber: reflective/slip walls all around so it pressurizes as it burns. + "bc_x%beg": -2, + "bc_x%end": -2, + "bc_y%beg": -2, + "bc_y%end": -2, + # Chemistry + diffusion + reactions ON (fuel/oxidizer mixing and combustion) + "chemistry": "T", + "chem_params%diffusion": "T", + "chem_params%reactions": "T", + "cantera_file": ctfile, + "chem_wrt_T": "T", + # Immersed boundary: solid fuel cylinder that injects H2 off its surface + "ib": "T", + "num_ibs": 1, + "patch_ib(1)%geometry": ib_geom, + "patch_ib(1)%x_centroid": x_cyl, + "patch_ib(1)%y_centroid": y_cyl, + "patch_ib(1)%radius": r_cyl, + "patch_ib(1)%slip": "F", + "patch_ib(1)%v_blow": v_blow, + "patch_ib(1)%inj_species": 1, # inject pure H2 + # Output + "format": "silo", + "precision": "double", + "prim_vars_wrt": "T", + "ib_state_wrt": "T", + # Patch: hot O2/Ar oxidizer fills the (octant) chamber + "patch_icpp(1)%geometry": patch_geom, + "patch_icpp(1)%x_centroid": Dx / 2, + "patch_icpp(1)%y_centroid": Dy / 2, + "patch_icpp(1)%length_x": Dx, + "patch_icpp(1)%length_y": Dy, + "patch_icpp(1)%vel(1)": 0.0, + "patch_icpp(1)%vel(2)": 0.0, + "patch_icpp(1)%pres": P0, + "patch_icpp(1)%alpha_rho(1)": rho0, + "patch_icpp(1)%alpha(1)": 1.0, + # Fluid EOS (calorically perfect closure; chemistry supplies the real thermo) + "fluid_pp(1)%gamma": 1.0 / (1.4 - 1.0), + "fluid_pp(1)%pi_inf": 0.0, + "fluid_pp(1)%Re(1)": 1.0 / mu0, +} + +# 3D: add the z direction, close the z walls, and give the sphere / oxidizer box full z-extent. +if is_3d: + case.update( + { + "z_domain%beg": 0.0, + "z_domain%end": Dz, + "bc_z%beg": -2, + "bc_z%end": -2, + "patch_ib(1)%z_centroid": z_cyl, + "patch_icpp(1)%z_centroid": Dz / 2, + "patch_icpp(1)%length_z": Dz, + "patch_icpp(1)%vel(3)": 0.0, + } + ) + +# Pressure-coupled burn rate (internal-ballistics demo): v_blow -> v_blow*(p/P0)^n. +if args.burn_exp > 0.0: + case["patch_ib(1)%burn_rate_pref"] = P0 + case["patch_ib(1)%burn_rate_exp"] = args.burn_exp + +for i in range(len(ox.Y)): + case[f"patch_icpp(1)%Y({i + 1})"] = float(ox.Y[i]) + case[f"chem_wrt_Y({i + 1})"] = "T" + +if __name__ == "__main__": + print(json.dumps(case)) diff --git a/examples/2D_ibm_flameholder/case.py b/examples/2D_ibm_flameholder/case.py new file mode 100644 index 0000000000..0bcae060b2 --- /dev/null +++ b/examples/2D_ibm_flameholder/case.py @@ -0,0 +1,136 @@ +#!/usr/bin/env python3 +# 2D bluff-body flame holder: a solid cylinder (immersed boundary) injects H2 off +# its surface into a hot O2/Ar crossflow. The freestream carries no fuel, so it +# cannot auto-ignite; the flame anchors only where the injected H2 meets the hot +# oxidizer -- in the recirculating wake behind the cylinder. This is the classic +# bluff-body-stabilized (afterburner/ramjet) flame, and it exercises the IBM +# surface-injection knobs (patch_ib%v_blow, %inj_species) together with the +# IBM+chemistry ghost-state fix. +import argparse +import json +import sys + +import cantera as ct + +parser = argparse.ArgumentParser(prog="2D_ibm_flameholder") +parser.add_argument("--mfc", type=json.loads, default="{}", metavar="DICT", help="MFC toolchain state.") +parser.add_argument("--tend", type=float, default=3.0e-4, help="Physical end time [s].") +parser.add_argument("--res", type=float, default=1.0, help="Resolution multiplier: m=300*res, n=112*res.") +parser.add_argument("--frames", type=int, default=80, help="Number of saved output frames.") +args = parser.parse_args() + +ctfile = "h2o2.yaml" + +# Hot oxidizer crossflow (fills the domain, enters at bc_x%beg). No fuel -> the +# freestream cannot burn on its own; T above the ~1100 K H2/O2 crossover so the +# injected fuel ignites promptly on contact. +ox = ct.Solution(ctfile) +ox.TPX = 1200.0, 101325.0, "O2:1,AR:3" +u_ox = 60.0 # crossflow velocity [m/s] +c0 = ox.sound_speed +mu0 = ox.viscosity + +# Domain: 8 cm x 3 cm channel, cylinder near the inlet. +Lx, Ly = 0.08, 0.03 +m = int(300 * args.res) +n = int(112 * args.res) +dx = Lx / m + +r_cyl = 0.004 +x_cyl = 0.02 +y_cyl = Ly / 2.0 +v_blow = 12.0 # wall-normal H2 injection speed off the cylinder [m/s] (gentle: strong +# injection drives an unstable, super-heated ignition transient that NaNs) + +print(f"oxidizer: T={ox.T:.1f} K rho={ox.density:.4f} c={c0:.1f} m/s", file=sys.stderr) + +# Acoustic CFL; small for explicit-chemistry stability (reacting hot spots need headroom). +cfl = 0.05 +dt = cfl * dx / (u_ox + c0) +NT = int(args.tend / dt) +NS = max(1, NT // args.frames) + +case = { + "run_time_info": "T", + "x_domain%beg": 0.0, + "x_domain%end": Lx, + "y_domain%beg": 0.0, + "y_domain%end": Ly, + "m": m, + "n": n, + "p": 0, + "cyl_coord": "F", + "dt": float(dt), + "t_step_start": 0, + "t_step_stop": NT, + "t_step_save": NS, + "t_step_print": max(1, NT // 20), + "parallel_io": "T", + # Algorithm + "model_eqns": 2, + "num_fluids": 1, + "num_patches": 1, + "mpp_lim": "F", + "mixture_err": "T", + "time_stepper": 3, + "weno_order": 5, + "weno_eps": 1e-16, + "mapped_weno": "T", + "mp_weno": "T", + "weno_avg": "T", + "weno_Re_flux": "T", + "null_weights": "F", + "riemann_solver": "hllc", + "wave_speeds": "direct", + "avg_state": "arithmetic", + "fd_order": 2, + "viscous": "T", + # BCs: characteristic inflow, extrapolated outflow, slip channel walls + "bc_x%beg": -7, + "bc_x%end": -3, + "bc_y%beg": -15, + "bc_y%end": -15, + # Chemistry + diffusion + reactions ON (fuel/oxidizer mixing and combustion) + "chemistry": "T", + "chem_params%diffusion": "T", + "chem_params%reactions": "T", + "cantera_file": ctfile, + "chem_wrt_T": "T", + # Immersed boundary: solid cylinder that injects H2 off its surface + "ib": "T", + "num_ibs": 1, + "patch_ib(1)%geometry": 2, + "patch_ib(1)%x_centroid": x_cyl, + "patch_ib(1)%y_centroid": y_cyl, + "patch_ib(1)%radius": r_cyl, + "patch_ib(1)%slip": "F", + "patch_ib(1)%v_blow": v_blow, + "patch_ib(1)%inj_species": 1, # inject pure H2 + # Output + "format": "silo", + "precision": "double", + "prim_vars_wrt": "T", + "ib_state_wrt": "T", + # Patch: hot O2/Ar oxidizer fills the domain + "patch_icpp(1)%geometry": 3, + "patch_icpp(1)%x_centroid": Lx / 2, + "patch_icpp(1)%y_centroid": Ly / 2, + "patch_icpp(1)%length_x": Lx, + "patch_icpp(1)%length_y": Ly, + "patch_icpp(1)%vel(1)": u_ox, + "patch_icpp(1)%vel(2)": 0.0, + "patch_icpp(1)%pres": ox.P, + "patch_icpp(1)%alpha_rho(1)": ox.density, + "patch_icpp(1)%alpha(1)": 1.0, + # Fluid EOS (calorically perfect closure; chemistry supplies the real thermo) + "fluid_pp(1)%gamma": 1.0 / (1.4 - 1.0), + "fluid_pp(1)%pi_inf": 0.0, + "fluid_pp(1)%Re(1)": 1.0 / mu0, +} + +for i in range(len(ox.Y)): + case[f"patch_icpp(1)%Y({i + 1})"] = float(ox.Y[i]) + case[f"chem_wrt_Y({i + 1})"] = "T" + +if __name__ == "__main__": + print(json.dumps(case)) diff --git a/examples/2D_shock_flame/case.py b/examples/2D_shock_flame/case.py new file mode 100644 index 0000000000..f3cbb080de --- /dev/null +++ b/examples/2D_shock_flame/case.py @@ -0,0 +1,149 @@ +#!/usr/bin/env python3 +# 2D reactive shock-flame interaction (Richtmyer-Meshkov). A planar shock is driven +# through hot burned gas and strikes the flame -- the density interface between the +# hot, light products and the cold, dense fresh 2H2+O2+7Ar. The impulsive +# acceleration of that interface drives the Richtmyer-Meshkov instability: the +# initially-flat front (given a small transverse seed) wrinkles and rolls up, its +# surface area grows, and the burn accelerates -- the mechanism behind flame +# acceleration and deflagration-to-detonation transition. Chemistry stays stable +# through the shocked interface via operator-split reaction sub-stepping. +import argparse +import json +import sys + +import cantera as ct + +parser = argparse.ArgumentParser(prog="2D_shock_flame") +parser.add_argument("--mfc", type=json.loads, default="{}", metavar="DICT", help="MFC toolchain state.") +parser.add_argument("--scale", type=float, default=1.0, help="Grid multiplier.") +parser.add_argument("--shockp", type=float, default=10.0, help="Shock driver over-pressure factor.") +parser.add_argument("--shockvel", type=float, default=900.0, help="Driver (post-shock) velocity [m/s], pushes the shock toward the flame.") +parser.add_argument("--amp", type=float, default=0.1, help="Flame-interface wrinkle amplitude (fraction of Ly) for the RM instability.") +parser.add_argument("--kmode", type=int, default=4, help="Transverse perturbation wavelengths.") +parser.add_argument("--tend", type=float, default=1.0e-4, help="Physical end time [s].") +args = parser.parse_args() + +ctfile = "h2o2.yaml" +X = "H2:2,O2:1,AR:7" +T0, P0 = 300.0, 6670.0 + +fresh = ct.Solution(ctfile) +fresh.TPX = T0, P0, X +burned = ct.Solution(ctfile) # hot products behind the flame +burned.TPX = T0, P0, X +burned.equilibrate("HP") +driver = ct.Solution(ctfile) # over-pressured burned gas that launches the shock +driver.TPX = T0, P0, X +driver.equilibrate("HP") +driver.SP = driver.entropy_mass, args.shockp * driver.P +print(f"fresh T={fresh.T:.0f} rho={fresh.density:.4f} | burned T={burned.T:.0f} rho={burned.density:.4f} | driver P={driver.P:.2e}", file=sys.stderr) + +Ly = 0.03 +Lx = 4.0 * Ly +Ny = int(160 * args.scale) +Nx = int(4 * Ny) +dx = Lx / Nx +x_drv = 0.10 * Lx # shock driver at the far left +x_flame = 0.40 * Lx # mean flame-interface position (burned | fresh) +A_flame = args.amp * Ly # wrinkle amplitude of the flame interface + +dt = 0.05 * dx / (1600.0 + driver.sound_speed) +NT = int(args.tend / dt) +NS = max(1, NT // 90) + +case = { + "run_time_info": "T", + "x_domain%beg": 0.0, + "x_domain%end": Lx, + "y_domain%beg": 0.0, + "y_domain%end": Ly, + "m": Nx, + "n": Ny, + "p": 0, + "dt": float(dt), + "t_step_start": 0, + "t_step_stop": NT, + "t_step_save": NS, + "t_step_print": NS, + "parallel_io": "T", + "model_eqns": "5eq", + "num_fluids": 1, + "num_patches": 3, + "mpp_lim": "F", + "mixture_err": "T", + "weno_avg": "F", + "time_stepper": "rk3", + "weno_order": 5, + "weno_eps": 1e-16, + "mapped_weno": "T", + "mp_weno": "T", + "riemann_solver": "hllc", + "wave_speeds": "direct", + "avg_state": "arithmetic", + "bc_x%beg": -3, + "bc_x%end": -3, + "bc_y%beg": -1, + "bc_y%end": -1, + "chemistry": "T", + "chem_params%diffusion": "F", + "chem_params%reactions": "T", + "chem_params%reaction_substeps": 10, + "cantera_file": ctfile, + "format": "silo", + "precision": "double", + "prim_vars_wrt": "T", + "chem_wrt_T": "T", + # Patch 1: fresh reactants (cold, dense), whole domain + "patch_icpp(1)%geometry": 3, + "patch_icpp(1)%x_centroid": Lx / 2, + "patch_icpp(1)%y_centroid": Ly / 2, + "patch_icpp(1)%length_x": Lx, + "patch_icpp(1)%length_y": Ly, + "patch_icpp(1)%vel(1)": 0.0, + "patch_icpp(1)%vel(2)": 0.0, + "patch_icpp(1)%pres": fresh.P, + "patch_icpp(1)%alpha(1)": 1.0, + "patch_icpp(1)%alpha_rho(1)": fresh.density, + # Patch 2: hot burned products (light) left of the flame; hcid 280 carves a + # sinusoidal (burned | fresh) interface so the shock has a wrinkle to amplify. + "patch_icpp(2)%geometry": 3, + "patch_icpp(2)%alter_patch(1)": "T", + "patch_icpp(2)%x_centroid": (x_flame + A_flame) / 2, + "patch_icpp(2)%y_centroid": Ly / 2, + "patch_icpp(2)%length_x": x_flame + A_flame, + "patch_icpp(2)%length_y": Ly, + "patch_icpp(2)%vel(1)": 0.0, + "patch_icpp(2)%vel(2)": 0.0, + "patch_icpp(2)%pres": burned.P, + "patch_icpp(2)%alpha(1)": 1.0, + "patch_icpp(2)%alpha_rho(1)": burned.density, + "patch_icpp(2)%hcid": 275, + "patch_icpp(2)%a(2)": x_flame, + "patch_icpp(2)%a(3)": A_flame, + "patch_icpp(2)%a(4)": float(args.kmode), + # Patch 3: over-pressured driver at the far left -> launches a shock toward the flame. + # It sits inside the burned gas, so it must overwrite both patch 1 and patch 2 cells. + "patch_icpp(3)%geometry": 3, + "patch_icpp(3)%alter_patch(1)": "T", + "patch_icpp(3)%alter_patch(2)": "T", + "patch_icpp(3)%x_centroid": x_drv / 2, + "patch_icpp(3)%y_centroid": Ly / 2, + "patch_icpp(3)%length_x": x_drv, + "patch_icpp(3)%length_y": Ly, + "patch_icpp(3)%vel(1)": args.shockvel, + "patch_icpp(3)%vel(2)": 0.0, + "patch_icpp(3)%pres": driver.P, + "patch_icpp(3)%alpha(1)": 1.0, + "patch_icpp(3)%alpha_rho(1)": driver.density, + "fluid_pp(1)%gamma": 1.0 / (1.4 - 1.0), + "fluid_pp(1)%pi_inf": 0.0, +} + +for i in range(len(fresh.Y)): + case[f"chem_wrt_Y({i + 1})"] = "T" + case[f"patch_icpp(1)%Y({i + 1})"] = float(fresh.Y[i]) + case[f"patch_icpp(2)%Y({i + 1})"] = float(burned.Y[i]) + case[f"patch_icpp(3)%Y({i + 1})"] = float(driver.Y[i]) + +if __name__ == "__main__": + print(json.dumps(case)) diff --git a/src/common/include/2dHardcodedIC.fpp b/src/common/include/2dHardcodedIC.fpp index 1d1d15d5ab..c982636779 100644 --- a/src/common/include/2dHardcodedIC.fpp +++ b/src/common/include/2dHardcodedIC.fpp @@ -442,6 +442,21 @@ end do q_prim_vf(eqn_idx%mom%end)%sf(i, j, 0) = 0.0_wp end if + case (275) ! reactive shock-flame: sinusoidal (burned | fresh) flame interface + ! Applied on the burned patch; cells AHEAD of the wavy interface are reset to the fresh + ! reactant state (patch 1), giving a finite-amplitude flame front for a shock to wrinkle + ! (Richtmyer-Meshkov). a(2) = mean interface x, a(3) = amplitude, a(4) = transverse wavenumber. + d = patch_icpp(patch_id)%a(2) + patch_icpp(patch_id)%a(3)*sin(2._wp*pi*patch_icpp(patch_id)%a(4)*y_cc(j)/(y_domain%end & + & - y_domain%beg)) + if (x_cc(i) > d) then + q_prim_vf(eqn_idx%cont%beg)%sf(i, j, 0) = patch_icpp(1)%alpha_rho(1) + q_prim_vf(eqn_idx%E)%sf(i, j, 0) = patch_icpp(1)%pres + q_prim_vf(eqn_idx%mom%beg)%sf(i, j, 0) = patch_icpp(1)%vel(1) + q_prim_vf(eqn_idx%mom%beg + 1)%sf(i, j, 0) = patch_icpp(1)%vel(2) + do v = eqn_idx%species%beg, eqn_idx%species%end + q_prim_vf(v)%sf(i, j, 0) = patch_icpp(1)%Y(v - eqn_idx%species%beg + 1) + end do + end if case (280) ! Isentropic vortex ! This is patch is hard-coded for test suite optimization used in the 2D_isentropicvortex case: This analytic patch uses ! geometry 2 diff --git a/src/common/m_derived_types.fpp b/src/common/m_derived_types.fpp index 5aadd664a0..e52054befa 100644 --- a/src/common/m_derived_types.fpp +++ b/src/common/m_derived_types.fpp @@ -356,6 +356,10 @@ module m_derived_types real(wp) :: radius !< Dimensions of the patch. radius. logical :: slip integer :: moving_ibm !< 0 for no moving, 1 for moving, 2 for moving on forced path + real(wp) :: v_blow !< Wall-normal surface blowing speed (burning/transpiring IB surface); 0 = impermeable + integer :: inj_species !< Injected species index at a blowing surface (chemistry); 0 = mirror ambient + real(wp) :: burn_rate_exp !< Pressure exponent n in v_blow*(p/p_ref)^n (Vieille's law); 0 = constant blowing + real(wp) :: burn_rate_pref !< Reference pressure p_ref for the pressure-coupled burn rate; 0 = coupling off real(wp) :: mass, moment !< mass and moment of inertia of object used to compute forces in 2-way coupling real(wp), dimension(1:3) :: force, torque !< vectors for the computed force and torque values applied to an IB real(wp), dimension(1:3) :: vel @@ -525,6 +529,16 @@ module m_derived_types integer :: reaction_substeps_max end type chemistry_parameters + !> Condensed-phase reactive-burn (programmed pressure detonation) parameters. The rate is + !> dlambda/dt = k (1 - lambda) ((p - pign)/pref)^n, optionally scaled by exp(-ta/T) when ta > 0. + type reactive_burn_parameters + real(wp) :: k !< Rate coefficient [1/s] + real(wp) :: pign !< Ignition pressure threshold [Pa] + real(wp) :: pref !< Reference pressure for the pressure drive [Pa] + real(wp) :: n !< Pressure-drive exponent + real(wp) :: ta !< Activation temperature [K] (0 = pure pressure-driven; > 0 adds exp(-ta/T)) + end type reactive_burn_parameters + !> Lagrangian bubble parameters type bubbles_lagrange_parameters diff --git a/src/common/m_global_parameters_common.fpp b/src/common/m_global_parameters_common.fpp index 13e84c8b79..4e65b887e0 100644 --- a/src/common/m_global_parameters_common.fpp +++ b/src/common/m_global_parameters_common.fpp @@ -415,6 +415,14 @@ contains cont_damage = .false. hyper_cleaning = .false. + ! Condensed-phase reactive burn + reactive_burn = .false. + rburn%k = dflt_real + rburn%pign = dflt_real + rburn%pref = dflt_real + rburn%n = dflt_real + rburn%ta = 0._wp + ! Case-optimization params: under case-opt these are compile-time constants in sim (skip assignment); in pre/post ! MFC_CASE_OPTIMIZATION is always False so the block always executes there. #:if not MFC_CASE_OPTIMIZATION diff --git a/src/pre_process/m_global_parameters.fpp b/src/pre_process/m_global_parameters.fpp index 1e0fcc22f0..bbf2444803 100644 --- a/src/pre_process/m_global_parameters.fpp +++ b/src/pre_process/m_global_parameters.fpp @@ -344,6 +344,10 @@ contains patch_ib(i)%airfoil_id = 0 patch_ib(i)%model_id = 0 patch_ib(i)%slip = .false. + patch_ib(i)%v_blow = 0._wp + patch_ib(i)%inj_species = 0 + patch_ib(i)%burn_rate_exp = 0._wp + patch_ib(i)%burn_rate_pref = 0._wp ! Variables to handle moving immersed boundaries, defaulting to no movement patch_ib(i)%moving_ibm = 0 diff --git a/src/pre_process/m_mpi_proxy.fpp b/src/pre_process/m_mpi_proxy.fpp index 1cbc2a29ae..45c1a3b505 100644 --- a/src/pre_process/m_mpi_proxy.fpp +++ b/src/pre_process/m_mpi_proxy.fpp @@ -125,11 +125,13 @@ contains call MPI_BCAST(patch_ib(i)%geometry, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr) #:for VAR in [ 'x_centroid', 'y_centroid', 'z_centroid', & - & 'length_x', 'length_y', 'length_z', 'radius'] + & 'length_x', 'length_y', 'length_z', 'radius', 'v_blow', & + & 'burn_rate_exp', 'burn_rate_pref'] call MPI_BCAST(patch_ib(i)%${VAR}$, 1, mpi_p, 0, MPI_COMM_WORLD, ierr) #:endfor call MPI_BCAST(patch_ib(i)%airfoil_id, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr) call MPI_BCAST(patch_ib(i)%model_id, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr) + call MPI_BCAST(patch_ib(i)%inj_species, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr) call MPI_BCAST(patch_ib(i)%slip, 1, MPI_LOGICAL, 0, MPI_COMM_WORLD, ierr) end do diff --git a/src/simulation/m_checker.fpp b/src/simulation/m_checker.fpp index 7ebe1eed27..3d752f1c36 100644 --- a/src/simulation/m_checker.fpp +++ b/src/simulation/m_checker.fpp @@ -50,12 +50,49 @@ contains & .and. chem_params%reaction_substeps_max < chem_params%reaction_substeps, & & "chem_params%reaction_substeps_max must be >= reaction_substeps when adap_substeps = T") + ! Chemistry with Euler bubbles is not currently supported: the IBM image-point + ! interpolation selects the bubbles/QBMM branch before the chemistry branch, so the + ! species state (Ys_IP) is not carried when both are enabled. Disallow until implemented. + @:PROHIBIT(chemistry .and. (bubbles_euler .or. qbmm), & + & "chemistry is not currently supported with Euler bubbles (bubbles_euler/qbmm)") + @:PROHIBIT(ib_state_wrt .and. .not. ib, "ib_state_wrt requires ib to be enabled") @:PROHIBIT(many_ib_patch_parallelism .and. .not. ib, "many_ib_patch_parallelism requires ib to be enabled") @:PROHIBIT(bf_spatial_support .and. (n == 0 .or. p /= 0), & & "bf_spatial_support is implemented for 2D only (it forces mom%beg and mom%beg+1)") + ! Condensed-phase reactive burn assumes exactly two fluids (reactant=1, product=2) that share the + ! stiffened-gas EOS and differ only in qv; violating these silently corrupts the mass/energy balance. + @:PROHIBIT(reactive_burn .and. num_fluids /= 2, "reactive_burn requires num_fluids = 2 (reactant then product)") + @:PROHIBIT(reactive_burn .and. .not. f_approx_equal(fluid_pp(1)%gamma, fluid_pp(2)%gamma), & + & "reactive_burn requires fluid_pp(1)%gamma == fluid_pp(2)%gamma (reactant and product share the EOS)") + @:PROHIBIT(reactive_burn .and. .not. f_approx_equal(fluid_pp(1)%pi_inf, fluid_pp(2)%pi_inf), & + & "reactive_burn requires fluid_pp(1)%pi_inf == fluid_pp(2)%pi_inf (reactant and product share the EOS)") + @:PROHIBIT(reactive_burn .and. fluid_pp(1)%qv <= fluid_pp(2)%qv, & + & "reactive_burn requires fluid_pp(1)%qv > fluid_pp(2)%qv (reactant releases energy on conversion to product)") + @:PROHIBIT(reactive_burn .and. rburn%pref <= 0._wp, & + & "reactive_burn requires rburn%pref > 0 (it normalizes the pressure drive (p - rburn%pign)/rburn%pref and is used as a divisor)") + ! The rate uses rburn%k, rburn%pign, rburn%n directly; each defaults to the sentinel dflt_real, + ! so an unset value silently produces spurious ignition (pign), NaN via drive**n (n), or a + ! backward reaction (k). Require each to be set to a physical value. + @:PROHIBIT(reactive_burn .and. rburn%k <= 0._wp, & + & "reactive_burn requires rburn%k > 0 (rate coefficient [1/s]; unset defaults to a negative sentinel that runs the reaction backward)") + @:PROHIBIT(reactive_burn .and. f_is_default(rburn%pign), & + & "reactive_burn requires rburn%pign to be set (ignition pressure threshold [Pa]; unset defaults to a negative sentinel, so the reactant ignites everywhere from t = 0)") + @:PROHIBIT(reactive_burn .and. rburn%n < 0._wp, & + & "reactive_burn requires rburn%n >= 0 (pressure-drive exponent; unset defaults to a negative sentinel, so drive**n overflows to Inf and the field goes NaN)") + @:PROHIBIT(reactive_burn .and. model_eqns /= 2 .and. model_eqns /= 3, & + & "reactive_burn requires model_eqns = 2 or 3 (the 5-equation pressure-equilibrium or 6-equation multi-fluid model)") + @:PROHIBIT(reactive_burn .and. rburn%ta < 0._wp, & + & "reactive_burn requires rburn%ta >= 0 (activation temperature [K]; 0 disables the Arrhenius factor)") + @:PROHIBIT(reactive_burn .and. rburn%ta > 0._wp .and. fluid_pp(1)%cv <= 0._wp, & + & "reactive_burn with rburn%ta > 0 requires fluid_pp(1)%cv > 0 (the reactant temperature T = (p + pi_inf)/((gamma - 1) cv rho) needs a physical heat capacity; cv = 0 silently disables the Arrhenius factor)") + + if (ib .and. chemistry) then + call s_check_inputs_ib_injection + end if + if (num_particle_clouds > 0) then call s_check_inputs_particle_clouds end if @@ -132,6 +169,20 @@ contains end subroutine s_check_inputs_nvidia_uvm + !> Validates that each burning immersed-boundary patch injects a species index within the mechanism. inj_species indexes the + !! image-point mass-fraction array Ys_IP(1:num_species) in m_ibm; an out-of-range value is an out-of-bounds write (silent + !! corruption). Only reachable with chemistry. + impure subroutine s_check_inputs_ib_injection + + integer :: i + + do i = 1, num_ibs + @:PROHIBIT(patch_ib(i)%inj_species > num_species, & + & "patch_ib inj_species must be <= num_species (it indexes the image-point species mass fractions; an out-of-range value writes out of bounds)") + end do + + end subroutine s_check_inputs_ib_injection + !> Checks that each active particle cloud has a valid packing_method specified impure subroutine s_check_inputs_particle_clouds diff --git a/src/simulation/m_global_parameters.fpp b/src/simulation/m_global_parameters.fpp index 02f7c72915..5db4b0f72e 100644 --- a/src/simulation/m_global_parameters.fpp +++ b/src/simulation/m_global_parameters.fpp @@ -665,6 +665,10 @@ contains patch_ib(i)%airfoil_id = 0 patch_ib(i)%model_id = 0 patch_ib(i)%slip = .false. + patch_ib(i)%v_blow = 0._wp + patch_ib(i)%inj_species = 0 + patch_ib(i)%burn_rate_exp = 0._wp + patch_ib(i)%burn_rate_pref = 0._wp ! Variables to handle moving immersed boundaries, defaulting to no movement patch_ib(i)%moving_ibm = 0 @@ -939,6 +943,8 @@ contains $:GPU_UPDATE(device='[chem_params]') + $:GPU_UPDATE(device='[rburn]') + $:GPU_UPDATE(device='[cont_damage, tau_star, cont_damage_s, alpha_bar]') $:GPU_UPDATE(device='[hyper_cleaning, hyper_cleaning_speed, hyper_cleaning_tau]') diff --git a/src/simulation/m_ibm.fpp b/src/simulation/m_ibm.fpp index d318a5592e..624784ee38 100644 --- a/src/simulation/m_ibm.fpp +++ b/src/simulation/m_ibm.fpp @@ -21,6 +21,7 @@ module m_ibm use m_model use m_patch_geometries use m_collisions + use m_thermochem, only: num_species, gas_constant, get_mixture_molecular_weight, get_mixture_energy_mass implicit none @@ -160,13 +161,17 @@ contains real(wp), dimension(3) :: r_IP, v_IP, pb_IP, mv_IP real(wp), dimension(18) :: nmom_IP real(wp), dimension(12) :: presb_IP, massv_IP + real(wp), dimension(10) :: Ys_IP #:else - real(wp), dimension(num_fluids) :: Gs - real(wp), dimension(num_fluids) :: alpha_rho_IP, alpha_IP - real(wp), dimension(nb) :: r_IP, v_IP, pb_IP, mv_IP - real(wp), dimension(nb*nmom) :: nmom_IP - real(wp), dimension(nb*nnode) :: presb_IP, massv_IP + real(wp), dimension(num_fluids) :: Gs + real(wp), dimension(num_fluids) :: alpha_rho_IP, alpha_IP + real(wp), dimension(nb) :: r_IP, v_IP, pb_IP, mv_IP + real(wp), dimension(nb*nmom) :: nmom_IP + real(wp), dimension(nb*nnode) :: presb_IP, massv_IP + real(wp), dimension(num_species) :: Ys_IP #:endif + real(wp) :: T_IP, mw_IP, e_IP !< Image-point temperature, mixture MW, and mass-specific internal energy (chemistry) + real(wp) :: v_blow_eff !< Effective surface blowing speed (after any pressure-coupled burn-rate scaling) ! Primitive variables at the image point associated with a ghost point, interpolated from surrounding fluid cells. real(wp), dimension(3) :: norm !< Normal vector from GP to IP @@ -189,7 +194,13 @@ contains call s_decode_patch_periodicity(patch_id, patch_id_temp) call s_get_neighborhood_idx(patch_id_temp, patch_id) if (patch_id > 0) then - q_prim_vf(eqn_idx%E)%sf(j, k, l) = 1._wp + ! Placeholder low pressure inside the IB solid. Skip it with + ! chemistry on: it would force an unphysical temperature + ! (P=1 Pa at the ambient density -> T~0.01 K), which the + ! Cantera temperature/transport evaluation (run grid-wide + ! before the IB mask is applied) cannot handle -> NaN/hang. + ! The interior is masked from the RHS regardless. + if (.not. chemistry) q_prim_vf(eqn_idx%E)%sf(j, k, l) = 1._wp rho = 0._wp do i = 1, num_fluids rho = rho + q_prim_vf(eqn_idx%cont%beg + i - 1)%sf(j, k, l) @@ -210,7 +221,8 @@ contains if (num_gps > 0) then $:GPU_PARALLEL_LOOP(private='[i, physical_loc, dyn_pres, alpha_rho_IP, alpha_IP, pres_IP, vel_IP, vel_g, vel_norm_IP, & & r_IP, v_IP, pb_IP, mv_IP, nmom_IP, presb_IP, massv_IP, rho, gamma, pi_inf, Re_K, G_K, Gs, gp, & - & innerp, norm, buf, radial_vector, rotation_velocity, j, k, l, q, qv_K, c_IP, nbub, patch_id]') + & innerp, norm, buf, radial_vector, rotation_velocity, j, k, l, q, qv_K, c_IP, nbub, patch_id, & + & Ys_IP, T_IP, mw_IP, e_IP, v_blow_eff]') do i = 1, num_gps gp = ghost_points(i) j = gp%loc(1) @@ -235,10 +247,25 @@ contains else if (qbmm .and. .not. polytropic) then call s_interpolate_image_point(q_prim_vf, gp, alpha_rho_IP, alpha_IP, pres_IP, vel_IP, c_IP, r_IP, v_IP, & & pb_IP, mv_IP, nmom_IP, pb_in, mv_in, presb_IP, massv_IP) + else if (chemistry) then + call s_interpolate_image_point(q_prim_vf, gp, alpha_rho_IP, alpha_IP, pres_IP, vel_IP, c_IP, Ys_IP=Ys_IP) else call s_interpolate_image_point(q_prim_vf, gp, alpha_rho_IP, alpha_IP, pres_IP, vel_IP, c_IP) end if + ! Injecting (burning) surface: replace the mirrored ghost composition with pure + ! injected fuel at the local pressure and the ambient (image-point) temperature. + ! Setting a consistent injected density here (rather than reusing the heavy ambient + ! rho) keeps the light fuel at a physical temperature and feeds the surface flame. + if (chemistry .and. patch_ib(patch_id)%inj_species > 0) then + call get_mixture_molecular_weight(Ys_IP, mw_IP) + T_IP = pres_IP*mw_IP/(alpha_rho_IP(1)*gas_constant) + Ys_IP = 0._wp + Ys_IP(patch_ib(patch_id)%inj_species) = 1._wp + call get_mixture_molecular_weight(Ys_IP, mw_IP) + alpha_rho_IP(1) = pres_IP*mw_IP/(T_IP*gas_constant) + end if + dyn_pres = 0._wp ! Set q_prim_vf params at GP so that mixture vars calculated properly @@ -317,6 +344,24 @@ contains end if end if + ! Burning/injecting surface: superimpose wall-normal (outward) blowing on the + ! ghost velocity so the immersed surface transpires/injects gas into the flow. + if (patch_ib(patch_id)%v_blow > 0._wp) then + v_blow_eff = patch_ib(patch_id)%v_blow + ! Pressure-coupled burn rate (Vieille's law r_dot ~ p^n): the local surface + ! pressure scales the blowing speed, giving chamber-pressure feedback (internal + ! ballistics) in a closed chamber. Off (constant) when burn_rate_pref <= 0. + if (patch_ib(patch_id)%burn_rate_pref > 0._wp) then + ! max(pres_IP, 0) guards the fractional power against a transient negative + ! interpolated pressure, which would otherwise return NaN and poison the field. + v_blow_eff = v_blow_eff*(max(pres_IP, & + & 0._wp)/patch_ib(patch_id)%burn_rate_pref)**patch_ib(patch_id)%burn_rate_exp + end if + norm(1:3) = gp%levelset_norm + buf = sqrt(sum(norm**2)) + if (buf > 0._wp) vel_g = vel_g + v_blow_eff*norm/buf + end if + ! Set momentum $:GPU_LOOP(parallelism='[seq]') do q = eqn_idx%mom%beg, eqn_idx%mom%end @@ -337,7 +382,21 @@ contains end if ! Set Energy - if (bubbles_euler) then + if (chemistry) then + ! Mirror the reacting-mixture state at the ghost point: interpolated species, + ! plus a thermodynamically consistent conserved energy from the mixture EOS. + ! (The gamma*pres_IP closure below is only valid for a calorically perfect gas + ! and yields an out-of-range temperature when inverted against the Cantera model.) + mw_IP = 0._wp + call get_mixture_molecular_weight(Ys_IP, mw_IP) + T_IP = pres_IP*mw_IP/(rho*gas_constant) + call get_mixture_energy_mass(T_IP, Ys_IP, e_IP) + $:GPU_LOOP(parallelism='[seq]') + do q = 1, num_species + q_cons_vf(eqn_idx%species%beg + q - 1)%sf(j, k, l) = rho*Ys_IP(q) + end do + q_cons_vf(eqn_idx%E)%sf(j, k, l) = rho*e_IP + dyn_pres + else if (bubbles_euler) then q_cons_vf(eqn_idx%E)%sf(j, k, l) = (1 - alpha_IP(1))*(gamma*pres_IP + pi_inf + dyn_pres) else q_cons_vf(eqn_idx%E)%sf(j, k, l) = gamma*pres_IP + pi_inf + dyn_pres @@ -741,7 +800,7 @@ contains !> Interpolate primitive variables to a ghost point's image point using bilinear or trilinear interpolation subroutine s_interpolate_image_point(q_prim_vf, gp, alpha_rho_IP, alpha_IP, pres_IP, vel_IP, c_IP, r_IP, v_IP, pb_IP, mv_IP, & - & nmom_IP, pb_in, mv_in, presb_IP, massv_IP) + & nmom_IP, pb_in, mv_in, presb_IP, massv_IP, Ys_IP) $:GPU_ROUTINE(parallelism='[seq]') type(scalar_field), dimension(sys_size), intent(in) :: q_prim_vf !< Primitive Variables @@ -758,7 +817,8 @@ contains real(wp), optional, dimension(:), intent(inout) :: r_IP, v_IP, pb_IP, mv_IP real(wp), optional, dimension(:), intent(inout) :: nmom_IP real(wp), optional, dimension(:), intent(inout) :: presb_IP, massv_IP - integer :: i, j, k, l, q !< Iterator variables + real(wp), optional, dimension(:), intent(inout) :: Ys_IP !< Interpolated species mass fractions (chemistry) + integer :: i, j, k, l, q !< Iterator variables integer :: i1, i2, j1, j2, k1, k2 !< Iterator variables real(wp) :: coeff @@ -776,6 +836,8 @@ contains pres_IP = 0._wp vel_IP = 0._wp + if (chemistry) Ys_IP = 0._wp + if (surface_tension) c_IP = 0._wp if (bubbles_euler) then @@ -820,6 +882,13 @@ contains c_IP = c_IP + coeff*q_prim_vf(eqn_idx%c)%sf(i, j, k) end if + if (chemistry) then + $:GPU_LOOP(parallelism='[seq]') + do q = 1, num_species + Ys_IP(q) = Ys_IP(q) + coeff*q_prim_vf(eqn_idx%species%beg + q - 1)%sf(i, j, k) + end do + end if + if (bubbles_euler .and. .not. qbmm) then $:GPU_LOOP(parallelism='[seq]') do l = 1, nb diff --git a/src/simulation/m_mpi_proxy.fpp b/src/simulation/m_mpi_proxy.fpp index 7300ef33dc..ed2be4e78e 100644 --- a/src/simulation/m_mpi_proxy.fpp +++ b/src/simulation/m_mpi_proxy.fpp @@ -167,7 +167,8 @@ contains ! manual: patch_ib (sim member subset differs from pre; uses count=3, adds mass/moving_ibm) do i = 1, num_ibs #:for VAR in [ 'radius', 'length_x', 'length_y', 'length_z', & - & 'x_centroid', 'y_centroid', 'z_centroid', 'slip', 'mass'] + & 'x_centroid', 'y_centroid', 'z_centroid', 'slip', 'mass', 'v_blow', & + & 'burn_rate_exp', 'burn_rate_pref'] call MPI_BCAST(patch_ib(i)%${VAR}$, 1, mpi_p, 0, MPI_COMM_WORLD, ierr) #:endfor #:for VAR in ['vel', 'angular_vel', 'angles'] @@ -177,6 +178,7 @@ contains call MPI_BCAST(patch_ib(i)%moving_ibm, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr) call MPI_BCAST(patch_ib(i)%airfoil_id, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr) call MPI_BCAST(patch_ib(i)%model_id, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr) + call MPI_BCAST(patch_ib(i)%inj_species, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr) end do ! manual: ib_airfoil (kept manual alongside patch_ib) diff --git a/src/simulation/m_particle_cloud.fpp b/src/simulation/m_particle_cloud.fpp index 3a771093d3..081c5b3463 100644 --- a/src/simulation/m_particle_cloud.fpp +++ b/src/simulation/m_particle_cloud.fpp @@ -300,6 +300,17 @@ contains particle_cloud_ibs(ib_idx)%moving_ibm = particle_cloud(cloud_idx)%moving_ibm particle_cloud_ibs(ib_idx)%slip = .false. + ! Particles are inert surfaces. These must be set explicitly: particle_cloud_ibs is + ! allocated (not default-initialized) and s_reduce_ib_patch_array copies the whole + ! struct into patch_ib, overwriting the defaults from + ! s_assign_default_values_to_user_inputs -- so anything left unset here reaches the + ! solver as uninitialized memory (a nonzero v_blow injects a garbage wall-normal + ! velocity and NaNs the field). + particle_cloud_ibs(ib_idx)%v_blow = 0._wp + particle_cloud_ibs(ib_idx)%inj_species = 0 + particle_cloud_ibs(ib_idx)%burn_rate_exp = 0._wp + particle_cloud_ibs(ib_idx)%burn_rate_pref = 0._wp + end subroutine s_add_cloud_particle !> Xorshift PRNG. Advances seed in-place and returns a value in [0, 1). diff --git a/src/simulation/m_pressure_relaxation.fpp b/src/simulation/m_pressure_relaxation.fpp index 8c16757450..d19142753f 100644 --- a/src/simulation/m_pressure_relaxation.fpp +++ b/src/simulation/m_pressure_relaxation.fpp @@ -160,8 +160,11 @@ contains $:GPU_LOOP(parallelism='[seq]') do i = 1, num_fluids if (q_cons_vf(i + eqn_idx%adv%beg - 1)%sf(j, k, l) > sgm_eps) then - pres_K_init(i) = (q_cons_vf(i + eqn_idx%int_en%beg - 1)%sf(j, k, l)/q_cons_vf(i + eqn_idx%adv%beg - 1)%sf(j, k, & - & l) - pi_infs(i))/gammas(i) + ! Phasic internal energy carries the formation energy: alpha_rho_k*qv_k must be + ! removed before inverting the stiffened-gas EOS, or a nonzero qv inflates the + ! phasic pressure by rho_k*qv_k/gamma_k (this is what breaks the reactive burn). + pres_K_init(i) = ((q_cons_vf(i + eqn_idx%int_en%beg - 1)%sf(j, k, l) - q_cons_vf(i + eqn_idx%cont%beg - 1)%sf(j, & + & k, l)*qvs(i))/q_cons_vf(i + eqn_idx%adv%beg - 1)%sf(j, k, l) - pi_infs(i))/gammas(i) if (pres_K_init(i) <= -(1._wp - 1.e-8_wp)*ps_inf(i) + 1.e-8_wp) pres_K_init(i) = -(1._wp - 1.e-8_wp)*ps_inf(i) & & + 1.e-8_wp else @@ -222,7 +225,7 @@ contains #:else real(wp), dimension(num_fluids) :: alpha_rho, alpha #:endif - real(wp) :: rho, dyn_pres, gamma, pi_inf, pres_relax, sum_alpha + real(wp) :: rho, dyn_pres, gamma, pi_inf, pres_relax, sum_alpha, qv_mix real(wp), dimension(2) :: Re integer :: i, q @@ -297,12 +300,20 @@ contains dyn_pres = dyn_pres + 5.e-1_wp*q_cons_vf(i)%sf(j, k, l)*q_cons_vf(i)%sf(j, k, l)/max(rho, sgm_eps) end do - pres_relax = (q_cons_vf(eqn_idx%E)%sf(j, k, l) - dyn_pres - pi_inf)/gamma + ! Mixture formation energy: the relaxed mixture pressure is recovered from the + ! conserved total energy with the qv reference removed (consistent with s_compute_pressure). + qv_mix = 0._wp + $:GPU_LOOP(parallelism='[seq]') + do i = 1, num_fluids + qv_mix = qv_mix + alpha_rho(i)*qvs(i) + end do + + pres_relax = (q_cons_vf(eqn_idx%E)%sf(j, k, l) - dyn_pres - qv_mix - pi_inf)/gamma $:GPU_LOOP(parallelism='[seq]') do i = 1, num_fluids q_cons_vf(i + eqn_idx%int_en%beg - 1)%sf(j, k, l) = q_cons_vf(i + eqn_idx%adv%beg - 1)%sf(j, k, & - & l)*(gammas(i)*pres_relax + pi_infs(i)) + & l)*(gammas(i)*pres_relax + pi_infs(i)) + q_cons_vf(i + eqn_idx%cont%beg - 1)%sf(j, k, l)*qvs(i) end do end subroutine s_correct_internal_energies diff --git a/src/simulation/m_reactive_burn.fpp b/src/simulation/m_reactive_burn.fpp new file mode 100644 index 0000000000..1334575b27 --- /dev/null +++ b/src/simulation/m_reactive_burn.fpp @@ -0,0 +1,78 @@ +!> +!! @file +!! @brief Contains module m_reactive_burn + +#:include 'macros.fpp' +#:include 'case.fpp' + +!> @brief Condensed-phase reactive burn: a pressure-driven programmed-burn source that converts a "reactant" fluid into a "product" +!! fluid on the multi-fluid model (num_fluids=2, chemistry='F'). The two fluids share the same stiffened-gas EOS (gamma, pi_inf) and +!! differ only in their reference energy qv, so the reactant->product conversion releases (qv_reactant - qv_product) per unit mass +!! through the mixture EOS with no explicit energy source. Because the two fluids are mechanically identical the volume-fraction +!! swap is exact (the product volume fraction is the reaction progress), making this a reactive-Euler/ZND detonation model expressed +!! through the diffuse-interface framework. A shock raises the pressure above rburn%pign, the reactant burns, and the energy release +!! sustains the shock -- a self-propagating condensed-phase detonation. +module m_reactive_burn + + use m_global_parameters + + implicit none + + private; public :: s_compute_reactive_burn + +contains + + !> Add the programmed-burn reaction source to the continuity and volume-fraction RHS. + !! @param rhs_vf Right-hand-side accumulator (inout) + !! @param q_cons_vf Conserved variables (partial densities live here) + !! @param q_prim_vf Primitive variables (pressure and volume fractions live here) + !! @param bounds Interior cell bounds + subroutine s_compute_reactive_burn(rhs_vf, q_cons_vf, q_prim_vf, bounds) + + type(scalar_field), dimension(sys_size), intent(inout) :: rhs_vf + type(scalar_field), dimension(sys_size), intent(in) :: q_cons_vf, q_prim_vf + type(int_bounds_info), dimension(1:3), intent(in) :: bounds + integer :: x, y, z + real(wp) :: rho, pres, lambda, rate, mdot, drive, T_r + + $:GPU_PARALLEL_LOOP(collapse=3, private='[rho, pres, lambda, rate, mdot, drive, T_r]', copyin='[bounds]') + do z = bounds(3)%beg, bounds(3)%end + do y = bounds(2)%beg, bounds(2)%end + do x = bounds(1)%beg, bounds(1)%end + ! reactant is fluid 1, product is fluid 2 + rho = q_cons_vf(eqn_idx%cont%beg)%sf(x, y, z) + q_cons_vf(eqn_idx%cont%beg + 1)%sf(x, y, z) + pres = q_prim_vf(eqn_idx%E)%sf(x, y, z) + lambda = q_prim_vf(eqn_idx%adv%beg + 1)%sf(x, y, z) ! reaction progress = product volume fraction + + ! pressure-driven programmed burn: fires only behind the shock (p > rburn%pign) + drive = (pres - rburn%pign)/rburn%pref + if (drive > 0._wp .and. lambda < 1._wp) then + rate = rburn%k*(1._wp - lambda)*drive**rburn%n ! dlambda/dt + + ! Optional Arrhenius temperature dependence: rate *= exp(-rburn%ta/T_r), with T_r the + ! reactant phasic temperature from the stiffened-gas EOS T = (p + pi_inf)/((Gamma-1) rho cv). + ! rburn%ta = 0 (default) leaves the pure pressure-driven rate unchanged. + if (rburn%ta > 0._wp) then + T_r = (pres + ps_inf(1))/((gs_min(1) - 1._wp)*cvs(1)*q_cons_vf(eqn_idx%cont%beg)%sf(x, y, & + & z)/q_prim_vf(eqn_idx%adv%beg)%sf(x, y, z)) + rate = rate*exp(-rburn%ta/T_r) + end if + + mdot = rho*rate ! mass reactant -> product + + ! continuity: reactant loses mass, product gains it + rhs_vf(eqn_idx%cont%beg)%sf(x, y, z) = rhs_vf(eqn_idx%cont%beg)%sf(x, y, z) - mdot + rhs_vf(eqn_idx%cont%beg + 1)%sf(x, y, z) = rhs_vf(eqn_idx%cont%beg + 1)%sf(x, y, z) + mdot + + ! volume fraction: exact swap (fluids share the EOS), so d(alpha)/dt = +/- rate + rhs_vf(eqn_idx%adv%beg)%sf(x, y, z) = rhs_vf(eqn_idx%adv%beg)%sf(x, y, z) - rate + rhs_vf(eqn_idx%adv%beg + 1)%sf(x, y, z) = rhs_vf(eqn_idx%adv%beg + 1)%sf(x, y, z) + rate + end if + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + + end subroutine s_compute_reactive_burn + +end module m_reactive_burn diff --git a/src/simulation/m_rhs.fpp b/src/simulation/m_rhs.fpp index 87053a4b05..337aa8a3ed 100644 --- a/src/simulation/m_rhs.fpp +++ b/src/simulation/m_rhs.fpp @@ -33,6 +33,7 @@ module m_rhs use m_surface_tension use m_body_forces use m_chemistry + use m_reactive_burn use m_igr use m_thinc use m_pressure_relaxation @@ -852,6 +853,12 @@ contains call nvtxEndRange end if + if (reactive_burn) then + call nvtxStartRange("RHS-REACTIVE-BURN") + call s_compute_reactive_burn(rhs_vf, q_cons_qp%vf, q_prim_qp%vf, idwint) + call nvtxEndRange + end if + if (cont_damage) call s_compute_damage_state(q_cons_qp%vf, rhs_vf) ! END: Additional physics and source terms diff --git a/src/simulation/m_start_up.fpp b/src/simulation/m_start_up.fpp index a82cdf7f60..97a1c76afd 100644 --- a/src/simulation/m_start_up.fpp +++ b/src/simulation/m_start_up.fpp @@ -1023,6 +1023,8 @@ contains $:GPU_UPDATE(device='[chem_params]') + $:GPU_UPDATE(device='[rburn]') + $:GPU_UPDATE(device='[R0ref, p0ref, rho0ref, ss, pv, vd, mu_l, mu_v, mu_g, gam_v, gam_g, M_v, M_g, R_v, R_g, Tw, cp_v, & & cp_g, k_vl, k_gl, gam, gam_m, Eu, Ca, Web, Re_inv, Pe_c, phi_vg, phi_gv, omegaN, bubbles_euler, & & polytropic, polydisperse, qbmm, ptil, bubble_model, thermal, poly_sigma, adv_n, adap_dt, adap_dt_tol, & diff --git a/tests/135ED2EF/golden-metadata.txt b/tests/135ED2EF/golden-metadata.txt new file mode 100644 index 0000000000..82a8687a03 --- /dev/null +++ b/tests/135ED2EF/golden-metadata.txt @@ -0,0 +1,193 @@ +This file was created on 2026-07-24 13:02:20.515005. + +mfc.sh: + + Invocation: test --generate --only Reactive Burn --no-build -j 8 + Lock: mpi=Yes & gpu=Acc & debug=No & reldebug=No & gcov=No & unified=No & single=No & mixed=No & fastmath=No + Git: d5972dab060de92334c1cd6d1387d028ed208623 on reactive-burn-6eq (dirty) + +syscheck: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : ON + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : nvc + CXX : nvc++ + FC : nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +simulation: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : ON + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : nvc + CXX : nvc++ + FC : nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +pre_process: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : ON + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : nvc + CXX : nvc++ + FC : nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +post_process: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : ON + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : nvc + CXX : nvc++ + FC : nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +CPU: + + CPU Info: + From lscpu + Architecture: x86_64 + CPU op-mode(s): 32-bit, 64-bit + Address sizes: 52 bits physical, 57 bits virtual + Byte Order: Little Endian + CPU(s): 128 + On-line CPU(s) list: 0-127 + Vendor ID: GenuineIntel + Model name: Intel(R) Xeon(R) Gold 6338 CPU @ 2.00GHz + CPU family: 6 + Model: 106 + Thread(s) per core: 2 + Core(s) per socket: 32 + Socket(s): 2 + Stepping: 6 + CPU(s) scaling MHz: 68% + CPU max MHz: 3200.0000 + CPU min MHz: 800.0000 + BogoMIPS: 4000.00 + Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx pdpe1gb rdtscp lm constant_tsc art arch_perfmon pebs bts rep_good nopl xtopology nonstop_tsc cpuid aperfmperf pni pclmulqdq dtes64 monitor ds_cpl vmx smx est tm2 ssse3 sdbg fma cx16 xtpr pdcm pcid dca sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand lahf_lm abm 3dnowprefetch cpuid_fault epb cat_l3 ssbd mba ibrs ibpb stibp ibrs_enhanced tpr_shadow flexpriority ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid cqm rdt_a avx512f avx512dq rdseed adx smap avx512ifma clflushopt clwb intel_pt avx512cd sha_ni avx512bw avx512vl xsaveopt xsavec xgetbv1 xsaves cqm_llc cqm_occup_llc cqm_mbm_total cqm_mbm_local split_lock_detect wbnoinvd dtherm ida arat pln pts vnmi avx512vbmi umip pku ospke avx512_vbmi2 gfni vaes vpclmulqdq avx512_vnni avx512_bitalg tme avx512_vpopcntdq la57 rdpid fsrm md_clear pconfig flush_l1d arch_capabilities + Virtualization: VT-x + L1d cache: 3 MiB (64 instances) + L1i cache: 2 MiB (64 instances) + L2 cache: 80 MiB (64 instances) + L3 cache: 96 MiB (2 instances) + NUMA node(s): 2 + NUMA node0 CPU(s): 0-31,64-95 + NUMA node1 CPU(s): 32-63,96-127 + Vulnerability Gather data sampling: Mitigation; Microcode + Vulnerability Indirect target selection: Mitigation; Aligned branch/return thunks + Vulnerability Itlb multihit: Not affected + Vulnerability L1tf: Not affected + Vulnerability Mds: Not affected + Vulnerability Meltdown: Not affected + Vulnerability Mmio stale data: Mitigation; Clear CPU buffers; SMT vulnerable + Vulnerability Reg file data sampling: Not affected + Vulnerability Retbleed: Not affected + Vulnerability Spec rstack overflow: Not affected + Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl + Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization + Vulnerability Spectre v2: Mitigation; Enhanced / Automatic IBRS; IBPB conditional; PBRSB-eIBRS SW sequence; BHI SW loop, KVM SW loop + Vulnerability Srbds: Not affected + Vulnerability Tsa: Not affected + Vulnerability Tsx async abort: Not affected + Vulnerability Vmscape: Not affected + diff --git a/tests/135ED2EF/golden.txt b/tests/135ED2EF/golden.txt new file mode 100644 index 0000000000..daf425f7fe --- /dev/null +++ b/tests/135ED2EF/golden.txt @@ -0,0 +1,24 @@ +D/cons.1.00.000000.dat 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 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0.19392893597937 \ No newline at end of file diff --git a/tests/5F3BB2E0/golden-metadata.txt b/tests/5F3BB2E0/golden-metadata.txt new file mode 100644 index 0000000000..de2475f4a0 --- /dev/null +++ b/tests/5F3BB2E0/golden-metadata.txt @@ -0,0 +1,193 @@ +This file was created on 2026-07-24 13:02:20.636749. + +mfc.sh: + + Invocation: test --generate --only Reactive Burn --no-build -j 8 + Lock: mpi=Yes & gpu=Acc & debug=No & reldebug=No & gcov=No & unified=No & single=No & mixed=No & fastmath=No + Git: d5972dab060de92334c1cd6d1387d028ed208623 on reactive-burn-6eq (dirty) + +syscheck: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : ON + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : nvc + CXX : nvc++ + FC : nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +simulation: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : ON + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : nvc + CXX : nvc++ + FC : nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +pre_process: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : ON + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : nvc + CXX : nvc++ + FC : nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +post_process: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : ON + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : nvc + CXX : nvc++ + FC : nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +CPU: + + CPU Info: + From lscpu + Architecture: x86_64 + CPU op-mode(s): 32-bit, 64-bit + Address sizes: 52 bits physical, 57 bits virtual + Byte Order: Little Endian + CPU(s): 128 + On-line CPU(s) list: 0-127 + Vendor ID: GenuineIntel + Model name: Intel(R) Xeon(R) Gold 6338 CPU @ 2.00GHz + CPU family: 6 + Model: 106 + Thread(s) per core: 2 + Core(s) per socket: 32 + Socket(s): 2 + Stepping: 6 + CPU(s) scaling MHz: 66% + CPU max MHz: 3200.0000 + CPU min MHz: 800.0000 + BogoMIPS: 4000.00 + Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx pdpe1gb rdtscp lm constant_tsc art arch_perfmon pebs bts rep_good nopl xtopology nonstop_tsc cpuid aperfmperf pni pclmulqdq dtes64 monitor ds_cpl vmx smx est tm2 ssse3 sdbg fma cx16 xtpr pdcm pcid dca sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand lahf_lm abm 3dnowprefetch cpuid_fault epb cat_l3 ssbd mba ibrs ibpb stibp ibrs_enhanced tpr_shadow flexpriority ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid cqm rdt_a avx512f avx512dq rdseed adx smap avx512ifma clflushopt clwb intel_pt avx512cd sha_ni avx512bw avx512vl xsaveopt xsavec xgetbv1 xsaves cqm_llc cqm_occup_llc cqm_mbm_total cqm_mbm_local split_lock_detect wbnoinvd dtherm ida arat pln pts vnmi avx512vbmi umip pku ospke avx512_vbmi2 gfni vaes vpclmulqdq avx512_vnni avx512_bitalg tme avx512_vpopcntdq la57 rdpid fsrm md_clear pconfig flush_l1d arch_capabilities + Virtualization: VT-x + L1d cache: 3 MiB (64 instances) + L1i cache: 2 MiB (64 instances) + L2 cache: 80 MiB (64 instances) + L3 cache: 96 MiB (2 instances) + NUMA node(s): 2 + NUMA node0 CPU(s): 0-31,64-95 + NUMA node1 CPU(s): 32-63,96-127 + Vulnerability Gather data sampling: Mitigation; Microcode + Vulnerability Indirect target selection: Mitigation; Aligned branch/return thunks + Vulnerability Itlb multihit: Not affected + Vulnerability L1tf: Not affected + Vulnerability Mds: Not affected + Vulnerability Meltdown: Not affected + Vulnerability Mmio stale data: Mitigation; Clear CPU buffers; SMT vulnerable + Vulnerability Reg file data sampling: Not affected + Vulnerability Retbleed: Not affected + Vulnerability Spec rstack overflow: Not affected + Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl + Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization + Vulnerability Spectre v2: Mitigation; Enhanced / Automatic IBRS; IBPB conditional; PBRSB-eIBRS SW sequence; BHI SW loop, KVM SW loop + Vulnerability Srbds: Not affected + Vulnerability Tsa: Not affected + Vulnerability Tsx async abort: Not affected + Vulnerability Vmscape: Not affected + diff --git a/tests/5F3BB2E0/golden.txt 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combustion-clean (dirty) + +simulation: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : ON + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc + CXX : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc++ + FC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +pre_process: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : ON + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc + CXX : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc++ + FC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +post_process: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : ON + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc + CXX : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc++ + FC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +syscheck: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : ON + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc + CXX : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc++ + FC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +CPU: + + CPU Info: + From lscpu + Architecture: x86_64 + CPU op-mode(s): 32-bit, 64-bit + Address sizes: 52 bits physical, 57 bits virtual + Byte Order: Little Endian + CPU(s): 128 + On-line CPU(s) list: 0-127 + Vendor ID: GenuineIntel + Model name: Intel(R) Xeon(R) Gold 6338 CPU @ 2.00GHz + CPU family: 6 + Model: 106 + Thread(s) per core: 2 + Core(s) per socket: 32 + Socket(s): 2 + Stepping: 6 + CPU(s) scaling MHz: 51% + CPU max MHz: 3200.0000 + CPU min MHz: 800.0000 + BogoMIPS: 4000.00 + Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx pdpe1gb rdtscp lm constant_tsc art arch_perfmon pebs bts rep_good nopl xtopology nonstop_tsc cpuid aperfmperf pni pclmulqdq dtes64 monitor ds_cpl vmx smx est tm2 ssse3 sdbg fma cx16 xtpr pdcm pcid dca sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand lahf_lm abm 3dnowprefetch cpuid_fault epb cat_l3 ssbd mba ibrs ibpb stibp ibrs_enhanced tpr_shadow flexpriority ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid cqm rdt_a avx512f avx512dq rdseed adx smap avx512ifma clflushopt clwb intel_pt avx512cd sha_ni avx512bw avx512vl xsaveopt xsavec xgetbv1 xsaves cqm_llc cqm_occup_llc cqm_mbm_total cqm_mbm_local split_lock_detect wbnoinvd dtherm ida arat pln pts vnmi avx512vbmi umip pku ospke avx512_vbmi2 gfni vaes vpclmulqdq avx512_vnni avx512_bitalg tme avx512_vpopcntdq la57 rdpid fsrm md_clear pconfig flush_l1d arch_capabilities + Virtualization: VT-x + L1d cache: 3 MiB (64 instances) + L1i cache: 2 MiB (64 instances) + L2 cache: 80 MiB (64 instances) + L3 cache: 96 MiB (2 instances) + NUMA node(s): 2 + NUMA node0 CPU(s): 0-31,64-95 + NUMA node1 CPU(s): 32-63,96-127 + Vulnerability Gather data sampling: Mitigation; Microcode + Vulnerability Indirect target selection: Mitigation; Aligned branch/return thunks + Vulnerability Itlb multihit: Not affected + Vulnerability L1tf: Not affected + Vulnerability Mds: Not affected + Vulnerability Meltdown: Not affected + Vulnerability Mmio stale data: Mitigation; Clear CPU buffers; SMT vulnerable + Vulnerability Reg file data sampling: Not affected + Vulnerability Retbleed: Not affected + Vulnerability Spec rstack overflow: Not affected + Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl + Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization + Vulnerability Spectre v2: Mitigation; Enhanced / Automatic IBRS; IBPB conditional; PBRSB-eIBRS SW sequence; BHI SW loop, KVM SW loop + Vulnerability Srbds: Not affected + Vulnerability Tsa: Not affected + Vulnerability Tsx async abort: Not affected + Vulnerability Vmscape: Not affected + diff 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NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : ON + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : nvc + CXX : nvc++ + FC : nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +simulation: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : ON + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : nvc + CXX : nvc++ + FC : nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +post_process: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : ON + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : nvc + CXX : nvc++ + FC : nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +pre_process: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : ON + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : nvc + CXX : nvc++ + FC : nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +CPU: + + CPU Info: + From lscpu + Architecture: x86_64 + CPU op-mode(s): 32-bit, 64-bit + Address sizes: 52 bits physical, 57 bits virtual + Byte Order: Little Endian + CPU(s): 128 + On-line CPU(s) list: 0-127 + Vendor ID: GenuineIntel + Model name: Intel(R) Xeon(R) Gold 6338 CPU @ 2.00GHz + CPU family: 6 + Model: 106 + Thread(s) per core: 2 + Core(s) per socket: 32 + Socket(s): 2 + Stepping: 6 + CPU(s) scaling MHz: 46% + CPU max MHz: 3200.0000 + CPU min MHz: 800.0000 + BogoMIPS: 4000.00 + Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx pdpe1gb rdtscp lm constant_tsc art arch_perfmon pebs bts rep_good nopl xtopology nonstop_tsc cpuid aperfmperf pni pclmulqdq dtes64 monitor ds_cpl vmx smx est tm2 ssse3 sdbg fma cx16 xtpr pdcm pcid dca sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand lahf_lm abm 3dnowprefetch cpuid_fault epb cat_l3 ssbd mba ibrs ibpb stibp ibrs_enhanced tpr_shadow flexpriority ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid cqm rdt_a avx512f avx512dq rdseed adx smap avx512ifma clflushopt clwb intel_pt avx512cd sha_ni avx512bw avx512vl xsaveopt xsavec xgetbv1 xsaves cqm_llc cqm_occup_llc cqm_mbm_total cqm_mbm_local split_lock_detect wbnoinvd dtherm ida arat pln pts vnmi avx512vbmi umip pku ospke avx512_vbmi2 gfni vaes vpclmulqdq avx512_vnni avx512_bitalg tme avx512_vpopcntdq la57 rdpid fsrm md_clear pconfig flush_l1d arch_capabilities + Virtualization: VT-x + L1d cache: 3 MiB (64 instances) + L1i cache: 2 MiB (64 instances) + L2 cache: 80 MiB (64 instances) + L3 cache: 96 MiB (2 instances) + NUMA node(s): 2 + NUMA node0 CPU(s): 0-31,64-95 + NUMA node1 CPU(s): 32-63,96-127 + Vulnerability Gather data sampling: Mitigation; Microcode + Vulnerability Indirect target selection: Mitigation; Aligned branch/return thunks + Vulnerability Itlb multihit: Not affected + Vulnerability L1tf: Not affected + Vulnerability Mds: Not affected + Vulnerability Meltdown: Not affected + Vulnerability Mmio stale data: Mitigation; Clear CPU buffers; SMT vulnerable + Vulnerability Reg file data sampling: Not affected + Vulnerability Retbleed: Not affected + Vulnerability Spec rstack overflow: Not affected + Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl + Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization + Vulnerability Spectre v2: Mitigation; Enhanced / Automatic IBRS; IBPB conditional; PBRSB-eIBRS SW sequence; BHI SW loop, KVM SW loop + Vulnerability Srbds: Not affected + Vulnerability Tsa: Not affected + Vulnerability Tsx async abort: Not affected + Vulnerability Vmscape: Not affected + diff --git a/tests/B317404C/golden.txt b/tests/B317404C/golden.txt new file mode 100644 index 0000000000..967ccb0324 --- /dev/null +++ b/tests/B317404C/golden.txt @@ -0,0 +1,30 @@ +D/cons.1.00.000000.dat 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 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(/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : ON + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : nvc + CXX : nvc++ + FC : nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +syscheck: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : ON + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : nvc + CXX : nvc++ + FC : nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +post_process: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : ON + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : nvc + CXX : nvc++ + FC : nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +pre_process: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : ON + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : nvc + CXX : nvc++ + FC : nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +CPU: + + CPU Info: + From lscpu + Architecture: x86_64 + CPU op-mode(s): 32-bit, 64-bit + Address sizes: 52 bits physical, 57 bits virtual + Byte Order: Little Endian + CPU(s): 128 + On-line CPU(s) list: 0-127 + Vendor ID: GenuineIntel + Model name: Intel(R) Xeon(R) Gold 6338 CPU @ 2.00GHz + CPU family: 6 + Model: 106 + Thread(s) per core: 2 + Core(s) per socket: 32 + Socket(s): 2 + Stepping: 6 + CPU(s) scaling MHz: 43% + CPU max MHz: 3200.0000 + CPU min MHz: 800.0000 + BogoMIPS: 4000.00 + Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx pdpe1gb rdtscp lm constant_tsc art arch_perfmon pebs bts rep_good nopl xtopology nonstop_tsc cpuid aperfmperf pni pclmulqdq dtes64 monitor ds_cpl vmx smx est tm2 ssse3 sdbg fma cx16 xtpr pdcm pcid dca sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand lahf_lm abm 3dnowprefetch cpuid_fault epb cat_l3 ssbd mba ibrs ibpb stibp ibrs_enhanced tpr_shadow flexpriority ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid cqm rdt_a avx512f avx512dq rdseed adx smap avx512ifma clflushopt clwb intel_pt avx512cd sha_ni avx512bw avx512vl xsaveopt xsavec xgetbv1 xsaves cqm_llc cqm_occup_llc cqm_mbm_total cqm_mbm_local split_lock_detect wbnoinvd dtherm ida arat pln pts vnmi avx512vbmi umip pku ospke avx512_vbmi2 gfni vaes vpclmulqdq avx512_vnni avx512_bitalg tme avx512_vpopcntdq la57 rdpid fsrm md_clear pconfig flush_l1d arch_capabilities + Virtualization: VT-x + L1d cache: 3 MiB (64 instances) + L1i cache: 2 MiB (64 instances) + L2 cache: 80 MiB (64 instances) + L3 cache: 96 MiB (2 instances) + NUMA node(s): 2 + NUMA node0 CPU(s): 0-31,64-95 + NUMA node1 CPU(s): 32-63,96-127 + Vulnerability Gather data sampling: Mitigation; Microcode + Vulnerability Indirect target selection: Mitigation; Aligned branch/return thunks + Vulnerability Itlb multihit: Not affected + Vulnerability L1tf: Not affected + Vulnerability Mds: Not affected + Vulnerability Meltdown: Not affected + Vulnerability Mmio stale data: Mitigation; Clear CPU buffers; SMT vulnerable + Vulnerability Reg file data sampling: Not affected + Vulnerability Retbleed: Not affected + Vulnerability Spec rstack overflow: Not affected + Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl + Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization + Vulnerability Spectre v2: Mitigation; Enhanced / Automatic IBRS; IBPB conditional; PBRSB-eIBRS SW sequence; BHI SW loop, KVM SW loop + Vulnerability Srbds: Not affected + Vulnerability Tsa: Not affected + Vulnerability Tsx async abort: Not affected + Vulnerability Vmscape: Not affected + diff --git a/tests/CB0DC420/golden.txt b/tests/CB0DC420/golden.txt new file mode 100644 index 0000000000..3ab024a0c3 --- /dev/null +++ b/tests/CB0DC420/golden.txt @@ -0,0 +1,48 @@ +D/cons.1.00.000000.dat 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 1805.0 +D/cons.1.00.000040.dat 766.2076568961129 766.2076568961129 766.2076568961129 766.2076568961129 766.2076568961129 766.2076568961129 766.2076568961129 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: OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc + CXX : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc++ + FC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +pre_process: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : ON + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc + CXX : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc++ + FC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +post_process: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : ON + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc + CXX : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc++ + FC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +syscheck: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : ON + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc + CXX : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc++ + FC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +CPU: + + CPU Info: + From lscpu + Architecture: x86_64 + CPU op-mode(s): 32-bit, 64-bit + Address sizes: 52 bits physical, 57 bits virtual + Byte Order: Little Endian + CPU(s): 128 + On-line CPU(s) list: 0-127 + Vendor ID: GenuineIntel + Model name: Intel(R) Xeon(R) Gold 6338 CPU @ 2.00GHz + CPU family: 6 + Model: 106 + Thread(s) per core: 2 + Core(s) per socket: 32 + Socket(s): 2 + Stepping: 6 + CPU(s) scaling MHz: 53% + CPU max MHz: 3200.0000 + CPU min MHz: 800.0000 + BogoMIPS: 4000.00 + Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx pdpe1gb rdtscp lm constant_tsc art arch_perfmon pebs bts rep_good nopl xtopology nonstop_tsc cpuid aperfmperf pni pclmulqdq dtes64 monitor ds_cpl vmx smx est tm2 ssse3 sdbg fma cx16 xtpr pdcm pcid dca sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand lahf_lm abm 3dnowprefetch cpuid_fault epb cat_l3 ssbd mba ibrs ibpb stibp ibrs_enhanced tpr_shadow flexpriority ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid cqm rdt_a avx512f avx512dq rdseed adx smap avx512ifma clflushopt clwb intel_pt avx512cd sha_ni avx512bw avx512vl xsaveopt xsavec xgetbv1 xsaves cqm_llc cqm_occup_llc cqm_mbm_total cqm_mbm_local split_lock_detect wbnoinvd dtherm ida arat pln pts vnmi avx512vbmi umip pku ospke avx512_vbmi2 gfni vaes vpclmulqdq avx512_vnni avx512_bitalg tme avx512_vpopcntdq la57 rdpid fsrm md_clear pconfig flush_l1d arch_capabilities + Virtualization: VT-x + L1d cache: 3 MiB (64 instances) + L1i cache: 2 MiB (64 instances) + L2 cache: 80 MiB (64 instances) + L3 cache: 96 MiB (2 instances) + NUMA node(s): 2 + NUMA node0 CPU(s): 0-31,64-95 + NUMA node1 CPU(s): 32-63,96-127 + Vulnerability Gather data sampling: Mitigation; Microcode + Vulnerability Indirect target selection: Mitigation; Aligned branch/return thunks + Vulnerability Itlb multihit: Not affected + Vulnerability L1tf: Not affected + Vulnerability Mds: Not affected + Vulnerability Meltdown: Not affected + Vulnerability Mmio stale data: Mitigation; Clear CPU buffers; SMT vulnerable + Vulnerability Reg file data sampling: Not affected + Vulnerability Retbleed: Not affected + Vulnerability Spec rstack overflow: Not affected + Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl + Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization + Vulnerability Spectre v2: Mitigation; Enhanced / Automatic IBRS; IBPB conditional; PBRSB-eIBRS SW sequence; BHI SW loop, KVM SW loop + Vulnerability Srbds: Not affected + Vulnerability Tsa: Not affected + Vulnerability Tsx async abort: Not affected + Vulnerability Vmscape: Not affected + diff --git a/tests/CF4FE4C9/golden.txt b/tests/CF4FE4C9/golden.txt new file mode 100644 index 0000000000..cfb5495728 --- /dev/null +++ b/tests/CF4FE4C9/golden.txt @@ -0,0 +1,30 @@ +D/cons.1.00.000000.dat 0.06521806206941 0.06521806206941 0.06521806206941 0.06521806206941 0.06521806206941 0.06521806206941 0.06521806206941 0.06521806206941 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(dirty) + +simulation: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : ON + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc + CXX : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc++ + FC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +pre_process: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : ON + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc + CXX : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc++ + FC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +post_process: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : ON + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc + CXX : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc++ + FC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +syscheck: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : ON + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc + CXX : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc++ + FC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +CPU: + + CPU Info: + From lscpu + Architecture: x86_64 + CPU op-mode(s): 32-bit, 64-bit + Address sizes: 52 bits physical, 57 bits virtual + Byte Order: Little Endian + CPU(s): 128 + On-line CPU(s) list: 0-127 + Vendor ID: GenuineIntel + Model name: Intel(R) Xeon(R) Gold 6338 CPU @ 2.00GHz + CPU family: 6 + Model: 106 + Thread(s) per core: 2 + Core(s) per socket: 32 + Socket(s): 2 + Stepping: 6 + CPU(s) scaling MHz: 38% + CPU max MHz: 3200.0000 + CPU min MHz: 800.0000 + BogoMIPS: 4000.00 + Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx pdpe1gb rdtscp lm constant_tsc art arch_perfmon pebs bts rep_good nopl xtopology nonstop_tsc cpuid aperfmperf pni pclmulqdq dtes64 monitor ds_cpl vmx smx est tm2 ssse3 sdbg fma cx16 xtpr pdcm pcid dca sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand lahf_lm abm 3dnowprefetch cpuid_fault epb cat_l3 ssbd mba ibrs ibpb stibp ibrs_enhanced tpr_shadow flexpriority ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid cqm rdt_a avx512f avx512dq rdseed adx smap avx512ifma clflushopt clwb intel_pt avx512cd sha_ni avx512bw avx512vl xsaveopt xsavec xgetbv1 xsaves cqm_llc cqm_occup_llc cqm_mbm_total cqm_mbm_local split_lock_detect wbnoinvd dtherm ida arat pln pts vnmi avx512vbmi umip pku ospke avx512_vbmi2 gfni vaes vpclmulqdq avx512_vnni avx512_bitalg tme avx512_vpopcntdq la57 rdpid fsrm md_clear pconfig flush_l1d arch_capabilities + Virtualization: VT-x + L1d cache: 3 MiB (64 instances) + L1i cache: 2 MiB (64 instances) + L2 cache: 80 MiB (64 instances) + L3 cache: 96 MiB (2 instances) + NUMA node(s): 2 + NUMA node0 CPU(s): 0-31,64-95 + NUMA node1 CPU(s): 32-63,96-127 + Vulnerability Gather data sampling: Mitigation; Microcode + Vulnerability Indirect target selection: Mitigation; Aligned branch/return thunks + Vulnerability Itlb multihit: Not affected + Vulnerability L1tf: Not affected + Vulnerability Mds: Not affected + Vulnerability Meltdown: Not affected + Vulnerability Mmio stale data: Mitigation; Clear CPU buffers; SMT vulnerable + Vulnerability Reg file data sampling: Not affected + Vulnerability Retbleed: Not affected + Vulnerability Spec rstack overflow: Not affected + Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl + Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization + Vulnerability Spectre v2: Mitigation; Enhanced / Automatic IBRS; IBPB conditional; PBRSB-eIBRS SW sequence; BHI SW loop, KVM SW loop + Vulnerability Srbds: Not affected + Vulnerability Tsa: Not affected + Vulnerability Tsx async abort: Not affected + Vulnerability Vmscape: Not affected + diff 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MPI : ON + OpenACC : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : nvc + CXX : nvc++ + FC : nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +simulation: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : ON + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : nvc + CXX : nvc++ + FC : nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +pre_process: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : ON + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : nvc + CXX : nvc++ + FC : nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +post_process: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : ON + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : nvc + CXX : nvc++ + FC : nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +CPU: + + CPU Info: + From lscpu + Architecture: x86_64 + CPU op-mode(s): 32-bit, 64-bit + Address sizes: 52 bits physical, 57 bits virtual + Byte Order: Little Endian + CPU(s): 128 + On-line CPU(s) list: 0-127 + Vendor ID: GenuineIntel + Model name: Intel(R) Xeon(R) Gold 6338 CPU @ 2.00GHz + CPU family: 6 + Model: 106 + Thread(s) per core: 2 + Core(s) per socket: 32 + Socket(s): 2 + Stepping: 6 + CPU(s) scaling MHz: 59% + CPU max MHz: 3200.0000 + CPU min MHz: 800.0000 + BogoMIPS: 4000.00 + Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx pdpe1gb rdtscp lm constant_tsc art arch_perfmon pebs bts rep_good nopl xtopology nonstop_tsc cpuid aperfmperf pni pclmulqdq dtes64 monitor ds_cpl vmx smx est tm2 ssse3 sdbg fma cx16 xtpr pdcm pcid dca sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand lahf_lm abm 3dnowprefetch cpuid_fault epb cat_l3 ssbd mba ibrs ibpb stibp ibrs_enhanced tpr_shadow flexpriority ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid cqm rdt_a avx512f avx512dq rdseed adx smap avx512ifma clflushopt clwb intel_pt avx512cd sha_ni avx512bw avx512vl xsaveopt xsavec xgetbv1 xsaves cqm_llc cqm_occup_llc cqm_mbm_total cqm_mbm_local split_lock_detect wbnoinvd dtherm ida arat pln pts vnmi avx512vbmi umip pku ospke avx512_vbmi2 gfni vaes vpclmulqdq avx512_vnni avx512_bitalg tme avx512_vpopcntdq la57 rdpid fsrm md_clear pconfig flush_l1d arch_capabilities + Virtualization: VT-x + L1d cache: 3 MiB (64 instances) + L1i cache: 2 MiB (64 instances) + L2 cache: 80 MiB (64 instances) + L3 cache: 96 MiB (2 instances) + NUMA node(s): 2 + NUMA node0 CPU(s): 0-31,64-95 + NUMA node1 CPU(s): 32-63,96-127 + Vulnerability Gather data sampling: Mitigation; Microcode + Vulnerability Indirect target selection: Mitigation; Aligned branch/return thunks + Vulnerability Itlb multihit: Not affected + Vulnerability L1tf: Not affected + Vulnerability Mds: Not affected + Vulnerability Meltdown: Not affected + Vulnerability Mmio stale data: Mitigation; Clear CPU buffers; SMT vulnerable + Vulnerability Reg file data sampling: Not affected + Vulnerability Retbleed: Not affected + Vulnerability Spec rstack overflow: Not affected + Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl + Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization + Vulnerability Spectre v2: Mitigation; Enhanced / Automatic IBRS; IBPB conditional; PBRSB-eIBRS SW sequence; BHI SW loop, KVM SW loop + Vulnerability Srbds: Not affected + Vulnerability Tsa: Not affected + Vulnerability Tsx async abort: Not affected + Vulnerability Vmscape: Not affected + diff --git a/tests/F08B0D0E/golden.txt 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NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : ON + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc + CXX : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc++ + FC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +pre_process: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : ON + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc + CXX : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc++ + FC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +post_process: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : ON + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc + CXX : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc++ + FC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +syscheck: + + CMake Configuration: + + CMake v4.3.2 on wingtip-gpu3.cc.gatech.edu + + C : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc) + Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : ON + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + OpenMP : ON + + Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc + CXX : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvc++ + FC : /opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +CPU: + + CPU Info: + From lscpu + Architecture: x86_64 + CPU op-mode(s): 32-bit, 64-bit + Address sizes: 52 bits physical, 57 bits virtual + Byte Order: Little Endian + CPU(s): 128 + On-line CPU(s) list: 0-127 + Vendor ID: GenuineIntel + Model name: Intel(R) Xeon(R) Gold 6338 CPU @ 2.00GHz + CPU family: 6 + Model: 106 + Thread(s) per core: 2 + Core(s) per socket: 32 + Socket(s): 2 + Stepping: 6 + CPU(s) scaling MHz: 35% + CPU max MHz: 3200.0000 + CPU min MHz: 800.0000 + BogoMIPS: 4000.00 + Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx pdpe1gb rdtscp lm constant_tsc art arch_perfmon pebs bts rep_good nopl xtopology nonstop_tsc cpuid aperfmperf pni pclmulqdq dtes64 monitor ds_cpl vmx smx est tm2 ssse3 sdbg fma cx16 xtpr pdcm pcid dca sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand lahf_lm abm 3dnowprefetch cpuid_fault epb cat_l3 ssbd mba ibrs ibpb stibp ibrs_enhanced tpr_shadow flexpriority ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid cqm rdt_a avx512f avx512dq rdseed adx smap avx512ifma clflushopt clwb intel_pt avx512cd sha_ni avx512bw avx512vl xsaveopt xsavec xgetbv1 xsaves cqm_llc cqm_occup_llc cqm_mbm_total cqm_mbm_local split_lock_detect wbnoinvd dtherm ida arat pln pts vnmi avx512vbmi umip pku ospke avx512_vbmi2 gfni vaes vpclmulqdq avx512_vnni avx512_bitalg tme avx512_vpopcntdq la57 rdpid fsrm md_clear pconfig flush_l1d arch_capabilities + Virtualization: VT-x + L1d cache: 3 MiB (64 instances) + L1i cache: 2 MiB (64 instances) + L2 cache: 80 MiB (64 instances) + L3 cache: 96 MiB (2 instances) + NUMA node(s): 2 + NUMA node0 CPU(s): 0-31,64-95 + NUMA node1 CPU(s): 32-63,96-127 + Vulnerability Gather data sampling: Mitigation; Microcode + Vulnerability Indirect target selection: Mitigation; Aligned branch/return thunks + Vulnerability Itlb multihit: Not affected + Vulnerability L1tf: Not affected + Vulnerability Mds: Not affected + Vulnerability Meltdown: Not affected + Vulnerability Mmio stale data: Mitigation; Clear CPU buffers; SMT vulnerable + Vulnerability Reg file data sampling: Not affected + Vulnerability Retbleed: Not affected + Vulnerability Spec rstack overflow: Not affected + Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl + Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization + Vulnerability Spectre v2: Mitigation; Enhanced / Automatic IBRS; IBPB conditional; PBRSB-eIBRS SW sequence; BHI SW loop, KVM SW loop + Vulnerability Srbds: Not affected + Vulnerability Tsa: Not affected + Vulnerability Tsx async abort: Not affected + Vulnerability Vmscape: Not affected + diff --git a/tests/F200F862/golden.txt b/tests/F200F862/golden.txt new file mode 100644 index 0000000000..d6c0a6d391 --- /dev/null +++ b/tests/F200F862/golden.txt @@ -0,0 +1,30 @@ +D/cons.1.00.000000.dat 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Requires polytropic = F and thermal = 3. Not compatible with model_eqns = 3. Kahan summation not compatible with --mixed precision.", }, + "check_reactive_burn": { + "title": "Condensed-Phase Reactive Burn", + "category": "Combustion", + "explanation": ( + "Programmed pressure-driven burn converting a reactant fluid to a product fluid on the multi-fluid model. " + "Requires model_eqns = 2 or 3 and num_fluids = 2 (reactant, product) sharing the stiffened-gas EOS " + "(equal gamma, pi_inf) with qv_reactant > qv_product. rburn%k (> 0), rburn%pign, rburn%pref (> 0), " + "and rburn%n (>= 0) must all be set. rburn%ta (activation temperature [K]) is optional and must be >= 0; " + ">0 adds an Arrhenius exp(-rburn%ta/T) factor and requires fluid_pp(1)%cv > 0." + ), + }, # Numerical Schemes "check_weno": { "title": "WENO Reconstruction", @@ -683,6 +694,13 @@ def check_ibm(self): True, f"patch_ib({i})%model_id is set but geometry ({geometry}) is not an STL model (5 or 12)", ) + # Vieille's-law burn-rate exponent must be non-negative: a negative exponent makes + # v_blow ~ p^n diverge (Inf) as the surface pressure approaches zero. + burn_rate_exp = self.get(f"patch_ib({i})%burn_rate_exp", None) + self.prohibit( + burn_rate_exp is not None and burn_rate_exp < 0, + f"patch_ib({i})%burn_rate_exp must be >= 0 (Vieille's-law pressure exponent)", + ) num_patches = self.get("num_patches", 0) or 0 for i in range(1, num_patches + 1): geometry = self.get(f"patch_icpp({i})%geometry", None) @@ -1517,6 +1535,14 @@ def check_chemistry(self): # inconsistent and the simulation NaNs. See MFlowCode/MFC#1470. self.prohibit(chemistry and num_fluids is not None and num_fluids != 1, "chemistry is only supported for single-component flows (num_fluids = 1)") + # Chemistry with Euler bubbles is not currently supported: the IBM image-point + # interpolation branch selects the bubbles/QBMM path before the chemistry path, so + # the species state is not carried when both are enabled. Disallow the combination + # until it is implemented. + bubbles_euler = self.get("bubbles_euler", "F") == "T" + qbmm = self.get("qbmm", "F") == "T" + self.prohibit(chemistry and (bubbles_euler or qbmm), "chemistry is not currently supported with Euler bubbles (bubbles_euler / qbmm)") + # Define what constitutes a wall (-15 for slip, -16 for no-slip) wall_bcs = [-15, -16] @@ -1552,6 +1578,31 @@ def check_chemistry(self): if tw_out is not None and self._is_numeric(tw_out): self.prohibit(tw_out <= 0.0, f"Wall temperature bc_{dir}%Twall_out must be strictly positive for thermodynamics (got {tw_out}).") + def check_reactive_burn(self): + """Checks condensed-phase reactive-burn constraints""" + reactive_burn = self.get("reactive_burn", "F") == "T" + if not reactive_burn: + return + model_eqns = self.get("model_eqns") + # Supported on the 5-equation (pressure-equilibrium) and 6-equation multi-fluid models. + self.prohibit(model_eqns is not None and model_eqns not in (2, 3), "reactive_burn requires model_eqns = 2 or 3 (5- or 6-equation multi-fluid model)") + # The rate uses rburn%k, %pign, %pref, %n directly; an unset value defaults to a negative + # sentinel in the solver and silently corrupts the burn, so require each to be set. + rk = self.get("rburn%k") + self.prohibit(not self._is_numeric(rk) or rk <= 0, "reactive_burn requires rburn%k > 0 (rate coefficient [1/s])") + self.prohibit(self.get("rburn%pign") is None, "reactive_burn requires rburn%pign to be set (ignition pressure threshold [Pa])") + rpref = self.get("rburn%pref") + self.prohibit(not self._is_numeric(rpref) or rpref <= 0, "reactive_burn requires rburn%pref > 0 (it normalizes the pressure drive and is used as a divisor)") + rn = self.get("rburn%n") + self.prohibit(not self._is_numeric(rn) or rn < 0, "reactive_burn requires rburn%n >= 0 (pressure-drive exponent)") + rta = self.get("rburn%ta") + self.prohibit(self._is_numeric(rta) and rta < 0, "reactive_burn requires rburn%ta >= 0 (activation temperature [K]; 0 disables the Arrhenius factor)") + cv1 = self.get("fluid_pp(1)%cv") + self.prohibit( + self._is_numeric(rta) and rta > 0 and (not self._is_numeric(cv1) or cv1 <= 0), + "reactive_burn with rburn%ta > 0 requires fluid_pp(1)%cv > 0 (the reactant temperature needs a physical heat capacity; cv = 0 silently disables the Arrhenius factor)", + ) + def check_misc_pre_process(self): """Checks miscellaneous pre-process constraints""" mixlayer_vel_profile = self.get("mixlayer_vel_profile", "F") == "T" @@ -2281,6 +2332,7 @@ def validate_common(self): self.check_surface_tension() self.check_mhd() self.check_chemistry() + self.check_reactive_burn() def validate_simulation(self): """Validate simulation-specific parameters""" diff --git a/toolchain/mfc/params/definitions.py b/toolchain/mfc/params/definitions.py index 038ba9449c..8eb3002f44 100644 --- a/toolchain/mfc/params/definitions.py +++ b/toolchain/mfc/params/definitions.py @@ -129,6 +129,7 @@ def _fc(name: str, default: int) -> int: "surface_tension": "Surface tension", "acoustic": "Acoustic", "ib": "Immersed boundary", + "reactive_burn": "Reactive burn", "probes": "Probe/integral", "riemann": "Riemann solver", "relativity": "Relativity", @@ -629,6 +630,11 @@ def _load(): _r("cantera_file", STR, {"chemistry"}) _r("chemistry", LOG, {"chemistry"}) + # Condensed-phase reactive burn (programmed pressure burn on the multi-fluid model) + _r("reactive_burn", LOG, {"reactive_burn"}) + for a in ["k", "pign", "pref", "n", "ta"]: + _r(f"rburn%{a}", REAL, {"reactive_burn"}) + # Acoustic _r("num_source", INT, {"acoustic"}) _r("acoustic_source", LOG, {"acoustic"}) @@ -926,9 +932,9 @@ def _load(): # grow patch_ib beyond this at runtime, but those entries are never in the namelist. _ib_tags = {"ib"} _ib_attrs: Dict[str, tuple] = {} - for a in ["geometry", "moving_ibm", "airfoil_id", "model_id"]: + for a in ["geometry", "moving_ibm", "airfoil_id", "model_id", "inj_species"]: _ib_attrs[a] = (INT, _ib_tags) - for a, pt in [("radius", REAL), ("slip", LOG), ("mass", REAL)]: + for a, pt in [("radius", REAL), ("slip", LOG), ("mass", REAL), ("v_blow", REAL), ("burn_rate_exp", REAL), ("burn_rate_pref", REAL)]: _ib_attrs[a] = (pt, _ib_tags) for j in range(1, 4): _ib_attrs[f"angles({j})"] = (REAL, _ib_tags) @@ -1188,6 +1194,7 @@ def _init_registry(): "integral": ("type(integral_parameters)", "num_probes_max", False, None), "acoustic": ("type(acoustic_parameters)", "num_probes_max", True, "Acoustic source parameters"), "chem_params": ("type(chemistry_parameters)", None, True, None), + "rburn": ("type(reactive_burn_parameters)", None, True, "Condensed-phase reactive-burn (programmed detonation) parameters"), "lag_params": ("type(bubbles_lagrange_parameters)", None, True, "Lagrange bubbles' parameters"), "particle_cloud": ("type(particle_cloud_parameters)", "num_particle_clouds_max", False, "Particle bed specifications"), "simplex_params": ("type(simplex_noise_params)", None, False, None), @@ -1280,6 +1287,7 @@ def _nv(targets: set, *names: str) -> None: "pi_fac", ) _nv(_PRE_POST, "num_fluids", "weno_order", "recon_type", "muscl_order", "mhd", "nb", "sigR", "igr", "igr_order") +_nv(_ALL, "reactive_burn", "rburn") _nv(_PRE_SIM, "ib_airfoil") _nv(_PRE_SIM, "stl_models", "num_stl_models") _nv( diff --git a/toolchain/mfc/params/descriptions.py b/toolchain/mfc/params/descriptions.py index bc75e8196a..989e351948 100644 --- a/toolchain/mfc/params/descriptions.py +++ b/toolchain/mfc/params/descriptions.py @@ -104,6 +104,7 @@ "hyperelasticity": "Enable hyperelastic model", "surface_tension": "Enable surface tension effects", "chemistry": "Enable chemical reactions", + "reactive_burn": "Enable condensed-phase reactive burn (programmed pressure burn on the multi-fluid model)", "mhd": "Enable magnetohydrodynamics", "hyper_cleaning": "Enable hyperbolic divergence cleaning for MHD", "hyper_cleaning_speed": "Wave speed for hyperbolic divergence cleaning", @@ -530,6 +531,13 @@ (r"chem_params%gamma_method", "Gamma calculation method (1=formulation, 2=cp/cv ratio)"), (r"chem_params%transport_model", "Transport model selection for chemistry"), (r"chem_params%(\w+)", "Chemistry parameter: {0}"), + # rburn (reactive-burn) patterns - specific fields first + (r"rburn%k", "Reactive-burn rate coefficient [1/s]"), + (r"rburn%pign", "Reactive-burn ignition pressure threshold [Pa]"), + (r"rburn%pref", "Reactive-burn reference pressure for the pressure drive [Pa]"), + (r"rburn%n", "Reactive-burn pressure-drive exponent"), + (r"rburn%ta", "Reactive-burn activation temperature [K] (0 = pure pressure-driven; >0 adds an Arrhenius exp(-ta/T) factor)"), + (r"rburn%(\w+)", "Reactive-burn parameter: {0}"), # fluid_rho patterns (r"fluid_rho\((\d+)\)", "Reference density for fluid {0}"), ] @@ -566,6 +574,7 @@ def _infer_from_naming(param_name: str) -> str: "simplex_params": "Simplex noise", "lag_params": "Lagrangian tracking", "chem_params": "Chemistry", + "rburn": "Reactive burn", "bub_pp": "Bubble", "x_output": "X-direction output", "y_output": "Y-direction output", diff --git a/toolchain/mfc/params/generators/fortran_gen.py b/toolchain/mfc/params/generators/fortran_gen.py index dc218107e5..f302db8bb0 100644 --- a/toolchain/mfc/params/generators/fortran_gen.py +++ b/toolchain/mfc/params/generators/fortran_gen.py @@ -420,6 +420,18 @@ def _emit_chem_params(lines: List[str]) -> None: lines.append(" end if") +def _emit_rburn(lines: List[str]) -> None: + """Emit the rburn member broadcast block (sim-only, under reactive_burn guard). + + All rburn members are REAL, so they broadcast with mpi_p (extend the type split if other kinds appear). + """ + rburn_members = sorted(k.split("%", 1)[1] for k in REGISTRY.all_params if k.startswith("rburn%")) + lines.append(" if (reactive_burn) then") + for mem in rburn_members: + lines.append(f" call MPI_BCAST(rburn%{mem}, 1, mpi_p, 0, MPI_COMM_WORLD, ierr)") + lines.append(" end if") + + def _emit_fortran_array_dims(lines: List[str], target: str) -> None: """Emit broadcasts for FORTRAN_ARRAY_DIMS entries belonging to this target. @@ -526,6 +538,10 @@ def generate_bcast_fpp(target: str) -> str: lines.append(" ! chem_params members (under chemistry guard)") _emit_chem_params(lines) lines.append("") + if "rburn" in NAMELIST_VARS and "sim" in NAMELIST_VARS["rburn"]: + lines.append(" ! rburn members (under reactive_burn guard)") + _emit_rburn(lines) + lines.append("") return "\n".join(lines) + "\n" diff --git a/toolchain/mfc/params/validate.py b/toolchain/mfc/params/validate.py index d6bdc2c057..2ac131f8f2 100644 --- a/toolchain/mfc/params/validate.py +++ b/toolchain/mfc/params/validate.py @@ -75,12 +75,18 @@ def _family_attr_error(name: str) -> Optional[str]: return f"Index {idx} exceeds maximum ({fam.max_index}) for {base}" return None # Both attr and index look valid; shouldn't reach here - # Unknown attribute — provide targeted message + # Unknown attribute — provide targeted message. List valid attributes with the + # ones most similar to the typo first, so the intended attribute shows even when + # the family has many attributes and the list is truncated. + from .suggest import suggest_similar + valid = sorted(fam.attrs.keys()) - if len(valid) > 8: - shown = ", ".join(valid[:8]) + f", ... ({len(valid)} total)" + similar = suggest_similar(attr, valid, max_suggestions=len(valid)) + ordered = similar + [v for v in valid if v not in similar] if similar else valid + if len(ordered) > 8: + shown = ", ".join(ordered[:8]) + f", ... ({len(ordered)} total)" else: - shown = ", ".join(valid) + shown = ", ".join(ordered) return f"Unknown attribute '{attr}' for {base}. Valid attributes: {shown}" diff --git a/toolchain/mfc/test/cases.py b/toolchain/mfc/test/cases.py index ddf3fbb697..4f51a8651b 100644 --- a/toolchain/mfc/test/cases.py +++ b/toolchain/mfc/test/cases.py @@ -2049,6 +2049,17 @@ def foreach_example(): # of where it is generated. The 2D bubble and all 18 phase-change unit tests remain # portable and CPU/GPU machine-zero; only this stiff 3D collapse is non-portable. "3D_phasechange_bubble", + # Finite-rate propellant flame: the flame-front position after 50 steps is set by + # accumulated stiff-kinetics roundoff, so it drifts past the 1e-3 Example tolerance + # across compilers (nvhpc 25.11 golden vs 24.3/GNU/Intel/CCE/AMD disagree by ~1-5e-3). + # No single golden is portable -- same class as the other flame examples above. The + # reactive_burn detonation golden tests remain portable (machine-zero across lanes). + "1D_propellant_flame", + # Same finite-rate-flame non-portability as 1D_propellant_flame above: the diffusion + # flame over the fuel slab is set by accumulated stiff-kinetics roundoff, so by step 50 + # the transverse momentum drifts past the 1e-3 Example tolerance across compilers + # (nvhpc passes; Intel and CCE disagree by ~2e-3 absolute). No single golden is portable. + "2D_hybrid_slab", ] if path in casesToSkip: continue @@ -2300,6 +2311,110 @@ def chemistry_cases(): chemistry_cases() + def reactive_burn_cases(): + # Condensed-phase programmed burn (m_reactive_burn): a uniform two-fluid stiffened-gas + # reactant above the ignition pressure, so the burn source converts reactant (fluid 1) + # to product (fluid 2) and releases energy through the qv difference. Uniform IC isolates + # the source term (no shock/gradient) for a stable, reproducible golden; it also exercises + # the reactive_burn precondition checks (num_fluids=2, shared EOS, qv(1) > qv(2)). + stack.push( + "1D -> Reactive Burn -> Condensed Programmed Detonation", + { + "m": 99, + "n": 0, + "p": 0, + "dt": 1.0e-9, + "num_patches": 1, + "num_fluids": 2, + "model_eqns": 2, + "x_domain%beg": 0.0, + "x_domain%end": 0.005, + "bc_x%beg": -3, + "bc_x%end": -3, + "weno_order": 5, + "weno_eps": 1e-16, + "mapped_weno": "F", + "mp_weno": "F", + "riemann_solver": 2, + "wave_speeds": 1, + "avg_state": 2, + "time_stepper": 3, + "reactive_burn": "T", + "rburn%k": 1.0e7, + "rburn%pign": 1.0e9, + "rburn%pref": 2.0e9, + "rburn%n": 1.0, + "fluid_pp(1)%gamma": 1.0e00 / (3.0e00 - 1.0e00), + "fluid_pp(1)%pi_inf": 9.0e8, + "fluid_pp(1)%qv": 4.0e6, + "fluid_pp(2)%gamma": 1.0e00 / (3.0e00 - 1.0e00), + "fluid_pp(2)%pi_inf": 9.0e8, + "fluid_pp(2)%qv": 0.0, + "patch_icpp(1)%geometry": 1, + "patch_icpp(1)%x_centroid": 0.0025, + "patch_icpp(1)%length_x": 0.005, + # Uniform advection velocity: the field stays spatially uniform (sub-cell drift over + # 40 steps), so the source term is still isolated, but the momentum output is now a + # well-resolved O(1e5) quantity instead of near-zero roundoff -- otherwise the golden + # compares ~0 momentum at 1e-12 tolerance, which is not portable across recompiles/backends. + "patch_icpp(1)%vel(1)": 100.0, + "patch_icpp(1)%pres": 2.0e9, + "patch_icpp(1)%alpha_rho(1)": 1900.0 * 0.95, + "patch_icpp(1)%alpha_rho(2)": 1900.0 * 0.05, + "patch_icpp(1)%alpha(1)": 0.95, + "patch_icpp(1)%alpha(2)": 0.05, + "t_step_start": 0, + "t_step_stop": 40, + "t_step_save": 40, + }, + ) + cases.append(define_case_d(stack, "", {})) + # Same burn on the 6-equation model (model_eqns=3): the reactant->product qv release + # must manifest through the qv-consistent phasic-pressure relaxation. Guards that the + # 5-eq source term is correct on the 6-eq model and that the qv threading holds up. + stack.push("6eq", {"model_eqns": 3}) + cases.append(define_case_d(stack, "", {})) + stack.pop() + # Arrhenius temperature-driven rate: rburn%ta > 0 multiplies the rate by exp(-rburn%ta/T_r), + # with T_r the reactant phasic temperature (needs cv > 0). rburn%ta/cv are chosen so the + # factor is O(0.4) at the IC temperature -- exercises the branch instead of leaving it ~1. + stack.push("Arrhenius", {"rburn%ta": 500.0, "fluid_pp(1)%cv": 1500.0, "fluid_pp(2)%cv": 1500.0}) + cases.append(define_case_d(stack, "", {})) + stack.pop() + # Same burn on 2 MPI ranks: the rburn parameters must be broadcast to non-root ranks, or + # rank 1's half of the domain burns with the sentinel default and diverges. The single-rank + # goldens cannot catch a broken rburn broadcast; this one does. + stack.push("2 ranks", {}) + cases.append(define_case_d(stack, "", {}, ppn=2)) + stack.pop() + stack.pop() + + reactive_burn_cases() + + def ibm_burn_rate_cases(): + """Vieille's-law pressure-coupled IB burn rate (patch_ib%burn_rate_exp/pref). + + The ibm_burning_grain/ibm_flameholder Example goldens cover surface injection + (v_blow, inj_species) but both leave burn_rate_exp at 0, so the pressure-coupled + scaling v_blow*(p/pref)^n has no golden. This registers the same example with the + coupling on, at reduced resolution to stay cheap. + """ + cases.append( + define_case_f( + "2D -> IBM -> Vieille Burn Rate", + "examples/2D_ibm_burning_grain/case.py", + ["--burn_exp", "0.5"], + mods={"m": 25, "n": 25, "t_step_stop": 50, "t_step_save": 50, "parallel_io": "F"}, + # Same 1e-3 as the ibm_burning_grain Example golden this mirrors: a 50-step IBM + + # finite-rate-chemistry run accumulates cross-compiler roundoff well past the 1e-10 + # the ib branch of compute_tolerance would otherwise pick. Turning the coupling on + # moves the solution by ~5e-3 relative, so the burn-rate path stays covered at 1e-3. + override_tol=1e-3, + ) + ) + + ibm_burn_rate_cases() + def direction_symmetry_tests(): """3D tests with shock propagating in x and y directions.