From 62b4a9129c64dd1a58880996ce851b1414b99100 Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Mon, 13 Jul 2026 16:40:46 -0400 Subject: [PATCH 01/25] simulation: fix IBM+chemistry hang by setting consistent species/energy at immersed-boundary points --- src/simulation/m_ibm.fpp | 57 +++++++++++++++++++++++++++++++++------- 1 file changed, 47 insertions(+), 10 deletions(-) diff --git a/src/simulation/m_ibm.fpp b/src/simulation/m_ibm.fpp index d318a5592e..e8b6b23f87 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 +161,16 @@ 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) ! 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 +193,13 @@ 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 +220,8 @@ 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]') do i = 1, num_gps gp = ghost_points(i) j = gp%loc(1) @@ -235,6 +246,8 @@ 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 @@ -337,7 +350,21 @@ 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 +768,7 @@ 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 +785,8 @@ 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 +804,8 @@ 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 +850,13 @@ 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 From bd958384d585e6d4db6a4dcb7686573617993923 Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Mon, 13 Jul 2026 16:42:55 -0400 Subject: [PATCH 02/25] examples: enable IBM+chemistry in flame-holder now that the hang is fixed --- examples/2D_ibm_flameholder/case.py | 122 ++++++++++++++++++++++++++++ 1 file changed, 122 insertions(+) create mode 100644 examples/2D_ibm_flameholder/case.py diff --git a/examples/2D_ibm_flameholder/case.py b/examples/2D_ibm_flameholder/case.py new file mode 100644 index 0000000000..e48735cd54 --- /dev/null +++ b/examples/2D_ibm_flameholder/case.py @@ -0,0 +1,122 @@ +#!/usr/bin/env python3 +# 2D immersed-boundary flame-holder geometry: a solid cylinder in a hot, +# near-ignition H2/O2/Ar premix. IBM + chemistry with temperature-dependent +# transport used to hang/diverge; that is now fixed in m_ibm.fpp (species and a +# consistent energy are set at immersed-boundary points). Chemistry + diffusion +# are on here (species transport around the cylinder + wake). Reactions are off +# to avoid a separate explicit-chemistry ignition-stiffness issue; enable +# chem_params%reactions with a smaller dt to attempt a wake-anchored flame. +import json + +import cantera as ct + +ctfile = "h2o2.yaml" +X = "H2:2,O2:1,AR:5" +T0, P0 = 1000.0, 101325.0 # near-ignition inflow temperature, 1 atm +u0 = 40.0 # inflow velocity [m/s] + +gas = ct.Solution(ctfile) +gas.TPX = T0, P0, X +rho0 = gas.density +mu0 = gas.viscosity +c0 = gas.sound_speed + +# Domain: 8 cm x 3 cm channel, cylinder near the inlet. +Lx, Ly = 0.08, 0.03 +m, n = 200, 75 +dx = Lx / m + +r_cyl = 0.004 +x_cyl = 0.016 +y_cyl = Ly / 2.0 + +# dt from the acoustic CFL (H2-rich mixture -> high sound speed, low Mach). +cfl = 0.05 +dt = cfl * dx / (u0 + c0) +tend = 4.0e-4 # a few cylinder flow-through times (D/u0 ~ 0.2 ms) +NT = int(tend / dt) +NS = max(1, NT // 4) + +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": 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": NS, + "parallel_io": "T", + # Algorithm + "model_eqns": 2, + "alt_soundspeed": "F", + "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, extrapolation outflow, slip channel walls + "bc_x%beg": -7, + "bc_x%end": -3, + "bc_y%beg": -15, + "bc_y%end": -15, + # Chemistry on (species transport); reactions off (see header note) + "chemistry": "T", + "chem_params%diffusion": "T", + "chem_params%reactions": "F", + "cantera_file": ctfile, + "chem_wrt_T": "T", + # Immersed boundary: inert solid cylinder (flame-holder) + "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", + # Output + "format": "silo", + "precision": "double", + "prim_vars_wrt": "T", + "ib_state_wrt": "T", + # Patch: hot H2/O2/Ar premix 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)": u0, + "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 gas matched to the mixture at T0, P0) + "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(gas.Y)): + case[f"patch_icpp(1)%Y({i + 1})"] = float(gas.Y[i]) + +if __name__ == "__main__": + print(json.dumps(case)) From 0dc757a2149111c56653c67d9765d9c70ce1d935 Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Mon, 13 Jul 2026 16:43:57 -0400 Subject: [PATCH 03/25] examples: add hybrid-rocket fuel slab and 1D propellant flame (solid-fuel analogs) --- examples/1D_propellant_flame/case.py | 120 +++++++++++++++++++++ examples/2D_hybrid_slab/case.py | 150 +++++++++++++++++++++++++++ 2 files changed, 270 insertions(+) create mode 100644 examples/1D_propellant_flame/case.py create mode 100644 examples/2D_hybrid_slab/case.py 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/2D_hybrid_slab/case.py b/examples/2D_hybrid_slab/case.py new file mode 100644 index 0000000000..33de31ca4d --- /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=1.0e-4, help="Physical end time [s].") +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)": 200000, +} + +# 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)) From 0afaf2ffb3b07255499c1fd670a7e73f8dd8319b Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Mon, 13 Jul 2026 19:02:25 -0400 Subject: [PATCH 04/25] simulation: add burning-grain surface fuel injection to IBM (v_blow + inj_species) --- examples/2D_ibm_burning_grain/case.py | 128 ++++++++++++++++++++++++ src/common/m_derived_types.fpp | 2 + src/pre_process/m_global_parameters.fpp | 2 + src/pre_process/m_mpi_proxy.fpp | 3 +- src/simulation/m_global_parameters.fpp | 2 + src/simulation/m_ibm.fpp | 21 ++++ src/simulation/m_mpi_proxy.fpp | 3 +- toolchain/mfc/params/definitions.py | 4 +- 8 files changed, 161 insertions(+), 4 deletions(-) create mode 100644 examples/2D_ibm_burning_grain/case.py diff --git a/examples/2D_ibm_burning_grain/case.py b/examples/2D_ibm_burning_grain/case.py new file mode 100644 index 0000000000..0e8791c441 --- /dev/null +++ b/examples/2D_ibm_burning_grain/case.py @@ -0,0 +1,128 @@ +#!/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. +import json + +import cantera as ct + +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, solid fuel cylinder near the center. +Lx, Ly = 0.04, 0.03 +m, n = 160, 120 +dx = Lx / m + +r_cyl = 0.004 +x_cyl = Lx / 2.0 +y_cyl = Ly / 2.0 + +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 = 1.5e-4 +NT = int(tend / dt) +NS = max(1, NT // 60) + +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": 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": 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 chamber + "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": 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, +} + +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/src/common/m_derived_types.fpp b/src/common/m_derived_types.fpp index 5aadd664a0..231a3f3917 100644 --- a/src/common/m_derived_types.fpp +++ b/src/common/m_derived_types.fpp @@ -356,6 +356,8 @@ 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) :: 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 diff --git a/src/pre_process/m_global_parameters.fpp b/src/pre_process/m_global_parameters.fpp index 1e0fcc22f0..a2932ba6bf 100644 --- a/src/pre_process/m_global_parameters.fpp +++ b/src/pre_process/m_global_parameters.fpp @@ -344,6 +344,8 @@ 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 ! 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..88de50220e 100644 --- a/src/pre_process/m_mpi_proxy.fpp +++ b/src/pre_process/m_mpi_proxy.fpp @@ -125,11 +125,12 @@ 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'] 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_global_parameters.fpp b/src/simulation/m_global_parameters.fpp index 02f7c72915..a192b50cfd 100644 --- a/src/simulation/m_global_parameters.fpp +++ b/src/simulation/m_global_parameters.fpp @@ -665,6 +665,8 @@ 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 ! Variables to handle moving immersed boundaries, defaulting to no movement patch_ib(i)%moving_ibm = 0 diff --git a/src/simulation/m_ibm.fpp b/src/simulation/m_ibm.fpp index e8b6b23f87..fb4f43c62c 100644 --- a/src/simulation/m_ibm.fpp +++ b/src/simulation/m_ibm.fpp @@ -252,6 +252,19 @@ contains 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 @@ -330,6 +343,14 @@ 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 + norm(1:3) = gp%levelset_norm + buf = sqrt(sum(norm**2)) + if (buf > 0._wp) vel_g = vel_g + patch_ib(patch_id)%v_blow*norm/buf + end if + ! Set momentum $:GPU_LOOP(parallelism='[seq]') do q = eqn_idx%mom%beg, eqn_idx%mom%end diff --git a/src/simulation/m_mpi_proxy.fpp b/src/simulation/m_mpi_proxy.fpp index 7300ef33dc..6ef1e8e8d9 100644 --- a/src/simulation/m_mpi_proxy.fpp +++ b/src/simulation/m_mpi_proxy.fpp @@ -167,7 +167,7 @@ contains ! manual: patch_ib (sim member subset differs from pre; uses count=3, adds mass/moving_ibm) do i = 1, num_ibs #:for VAR in [ 'radius', 'length_x', 'length_y', 'length_z', & - & 'x_centroid', 'y_centroid', 'z_centroid', 'slip', 'mass'] + & 'x_centroid', 'y_centroid', 'z_centroid', 'slip', 'mass', 'v_blow'] call MPI_BCAST(patch_ib(i)%${VAR}$, 1, mpi_p, 0, MPI_COMM_WORLD, ierr) #:endfor #:for VAR in ['vel', 'angular_vel', 'angles'] @@ -177,6 +177,7 @@ 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/toolchain/mfc/params/definitions.py b/toolchain/mfc/params/definitions.py index 038ba9449c..8d42750285 100644 --- a/toolchain/mfc/params/definitions.py +++ b/toolchain/mfc/params/definitions.py @@ -926,9 +926,9 @@ 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)]: _ib_attrs[a] = (pt, _ib_tags) for j in range(1, 4): _ib_attrs[f"angles({j})"] = (REAL, _ib_tags) From 9549aeef1600ce178823e5e76dfc9eaaadde7688 Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Mon, 13 Jul 2026 20:03:28 -0400 Subject: [PATCH 05/25] simulation: pressure-coupled IBM burn rate (Vieille's law) for internal-ballistics feedback --- examples/2D_ibm_burning_grain/case.py | 16 ++++++++++++++++ src/common/m_derived_types.fpp | 2 ++ src/pre_process/m_global_parameters.fpp | 2 ++ src/pre_process/m_mpi_proxy.fpp | 3 ++- src/simulation/m_global_parameters.fpp | 2 ++ src/simulation/m_ibm.fpp | 12 ++++++++++-- src/simulation/m_mpi_proxy.fpp | 3 ++- toolchain/mfc/params/definitions.py | 2 +- toolchain/mfc/params/validate.py | 14 ++++++++++---- 9 files changed, 47 insertions(+), 9 deletions(-) diff --git a/examples/2D_ibm_burning_grain/case.py b/examples/2D_ibm_burning_grain/case.py index 0e8791c441..df7a4194ba 100644 --- a/examples/2D_ibm_burning_grain/case.py +++ b/examples/2D_ibm_burning_grain/case.py @@ -9,10 +9,21 @@ # 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.") +args = parser.parse_args() + ctfile = "h2o2.yaml" # Hot oxidizer chamber (no fuel): injected H2 meets hot O2 and ignites. X = "O2:1,AR:3" @@ -120,6 +131,11 @@ "fluid_pp(1)%Re(1)": 1.0 / mu0, } +# 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" diff --git a/src/common/m_derived_types.fpp b/src/common/m_derived_types.fpp index 231a3f3917..70dadbbf5e 100644 --- a/src/common/m_derived_types.fpp +++ b/src/common/m_derived_types.fpp @@ -358,6 +358,8 @@ module m_derived_types 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 diff --git a/src/pre_process/m_global_parameters.fpp b/src/pre_process/m_global_parameters.fpp index a2932ba6bf..bbf2444803 100644 --- a/src/pre_process/m_global_parameters.fpp +++ b/src/pre_process/m_global_parameters.fpp @@ -346,6 +346,8 @@ contains 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 88de50220e..45c1a3b505 100644 --- a/src/pre_process/m_mpi_proxy.fpp +++ b/src/pre_process/m_mpi_proxy.fpp @@ -125,7 +125,8 @@ 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', 'v_blow'] + & '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) diff --git a/src/simulation/m_global_parameters.fpp b/src/simulation/m_global_parameters.fpp index a192b50cfd..742ee623d1 100644 --- a/src/simulation/m_global_parameters.fpp +++ b/src/simulation/m_global_parameters.fpp @@ -667,6 +667,8 @@ contains 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/simulation/m_ibm.fpp b/src/simulation/m_ibm.fpp index fb4f43c62c..e3e1ba07d9 100644 --- a/src/simulation/m_ibm.fpp +++ b/src/simulation/m_ibm.fpp @@ -171,6 +171,7 @@ contains 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 @@ -221,7 +222,7 @@ contains $:GPU_PARALLEL_LOOP(private='[i, physical_loc, dyn_pres, alpha_rho_IP, alpha_IP, pres_IP, vel_IP, vel_g, vel_norm_IP, & & r_IP, v_IP, pb_IP, mv_IP, nmom_IP, presb_IP, massv_IP, rho, gamma, pi_inf, Re_K, G_K, Gs, gp, & & innerp, norm, buf, radial_vector, rotation_velocity, j, k, l, q, qv_K, c_IP, nbub, patch_id, & - & Ys_IP, T_IP, mw_IP, e_IP]') + & Ys_IP, T_IP, mw_IP, e_IP, v_blow_eff]') do i = 1, num_gps gp = ghost_points(i) j = gp%loc(1) @@ -346,9 +347,16 @@ contains ! Burning/injecting surface: superimpose wall-normal (outward) blowing on the ! ghost velocity so the immersed surface transpires/injects gas into the flow. if (patch_ib(patch_id)%v_blow > 0._wp) then + v_blow_eff = patch_ib(patch_id)%v_blow + ! Pressure-coupled burn rate (Vieille's law r_dot ~ p^n): the local surface + ! pressure scales the blowing speed, giving chamber-pressure feedback (internal + ! ballistics) in a closed chamber. Off (constant) when burn_rate_pref <= 0. + if (patch_ib(patch_id)%burn_rate_pref > 0._wp) then + v_blow_eff = v_blow_eff*(pres_IP/patch_ib(patch_id)%burn_rate_pref)**patch_ib(patch_id)%burn_rate_exp + end if norm(1:3) = gp%levelset_norm buf = sqrt(sum(norm**2)) - if (buf > 0._wp) vel_g = vel_g + patch_ib(patch_id)%v_blow*norm/buf + if (buf > 0._wp) vel_g = vel_g + v_blow_eff*norm/buf end if ! Set momentum diff --git a/src/simulation/m_mpi_proxy.fpp b/src/simulation/m_mpi_proxy.fpp index 6ef1e8e8d9..ed2be4e78e 100644 --- a/src/simulation/m_mpi_proxy.fpp +++ b/src/simulation/m_mpi_proxy.fpp @@ -167,7 +167,8 @@ contains ! manual: patch_ib (sim member subset differs from pre; uses count=3, adds mass/moving_ibm) do i = 1, num_ibs #:for VAR in [ 'radius', 'length_x', 'length_y', 'length_z', & - & 'x_centroid', 'y_centroid', 'z_centroid', 'slip', 'mass', 'v_blow'] + & 'x_centroid', 'y_centroid', 'z_centroid', 'slip', 'mass', 'v_blow', & + & 'burn_rate_exp', 'burn_rate_pref'] call MPI_BCAST(patch_ib(i)%${VAR}$, 1, mpi_p, 0, MPI_COMM_WORLD, ierr) #:endfor #:for VAR in ['vel', 'angular_vel', 'angles'] diff --git a/toolchain/mfc/params/definitions.py b/toolchain/mfc/params/definitions.py index 8d42750285..3cfbdbfbec 100644 --- a/toolchain/mfc/params/definitions.py +++ b/toolchain/mfc/params/definitions.py @@ -928,7 +928,7 @@ def _load(): _ib_attrs: Dict[str, tuple] = {} 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), ("v_blow", 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) 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}" From a322c8b5f54be31fa5dd4e7a67161b61c97526c5 Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Mon, 13 Jul 2026 20:04:28 -0400 Subject: [PATCH 06/25] examples: make flameholder a proper reacting bluff-body (fuel-injecting cylinder, wake flame) --- examples/2D_ibm_flameholder/case.py | 86 +++++++++++++++++------------ 1 file changed, 50 insertions(+), 36 deletions(-) diff --git a/examples/2D_ibm_flameholder/case.py b/examples/2D_ibm_flameholder/case.py index e48735cd54..0bcae060b2 100644 --- a/examples/2D_ibm_flameholder/case.py +++ b/examples/2D_ibm_flameholder/case.py @@ -1,45 +1,57 @@ #!/usr/bin/env python3 -# 2D immersed-boundary flame-holder geometry: a solid cylinder in a hot, -# near-ignition H2/O2/Ar premix. IBM + chemistry with temperature-dependent -# transport used to hang/diverge; that is now fixed in m_ibm.fpp (species and a -# consistent energy are set at immersed-boundary points). Chemistry + diffusion -# are on here (species transport around the cylinder + wake). Reactions are off -# to avoid a separate explicit-chemistry ignition-stiffness issue; enable -# chem_params%reactions with a smaller dt to attempt a wake-anchored flame. +# 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" -X = "H2:2,O2:1,AR:5" -T0, P0 = 1000.0, 101325.0 # near-ignition inflow temperature, 1 atm -u0 = 40.0 # inflow velocity [m/s] -gas = ct.Solution(ctfile) -gas.TPX = T0, P0, X -rho0 = gas.density -mu0 = gas.viscosity -c0 = gas.sound_speed +# 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, n = 200, 75 +m = int(300 * args.res) +n = int(112 * args.res) dx = Lx / m r_cyl = 0.004 -x_cyl = 0.016 +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) -# dt from the acoustic CFL (H2-rich mixture -> high sound speed, low Mach). +# Acoustic CFL; small for explicit-chemistry stability (reacting hot spots need headroom). cfl = 0.05 -dt = cfl * dx / (u0 + c0) -tend = 4.0e-4 # a few cylinder flow-through times (D/u0 ~ 0.2 ms) -NT = int(tend / dt) -NS = max(1, NT // 4) +dt = cfl * dx / (u_ox + c0) +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": Lx, "y_domain%beg": 0.0, @@ -52,11 +64,10 @@ "t_step_start": 0, "t_step_stop": NT, "t_step_save": NS, - "t_step_print": NS, + "t_step_print": max(1, NT // 20), "parallel_io": "T", # Algorithm "model_eqns": 2, - "alt_soundspeed": "F", "num_fluids": 1, "num_patches": 1, "mpp_lim": "F", @@ -74,18 +85,18 @@ "avg_state": "arithmetic", "fd_order": 2, "viscous": "T", - # BCs: characteristic inflow, extrapolation outflow, slip channel walls + # 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 on (species transport); reactions off (see header note) + # Chemistry + diffusion + reactions ON (fuel/oxidizer mixing and combustion) "chemistry": "T", "chem_params%diffusion": "T", - "chem_params%reactions": "F", + "chem_params%reactions": "T", "cantera_file": ctfile, "chem_wrt_T": "T", - # Immersed boundary: inert solid cylinder (flame-holder) + # Immersed boundary: solid cylinder that injects H2 off its surface "ib": "T", "num_ibs": 1, "patch_ib(1)%geometry": 2, @@ -93,30 +104,33 @@ "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 H2/O2/Ar premix fills the domain + # 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)": u0, + "patch_icpp(1)%vel(1)": u_ox, "patch_icpp(1)%vel(2)": 0.0, - "patch_icpp(1)%pres": P0, - "patch_icpp(1)%alpha_rho(1)": rho0, + "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 gas matched to the mixture at T0, P0) + # 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(gas.Y)): - case[f"patch_icpp(1)%Y({i + 1})"] = float(gas.Y[i]) +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)) From 3d3296a71aee59f1892d8003057bf6e3b2f8133d Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Mon, 13 Jul 2026 20:14:49 -0400 Subject: [PATCH 07/25] examples: add --tend knob to burning-grain case --- examples/2D_ibm_burning_grain/case.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/examples/2D_ibm_burning_grain/case.py b/examples/2D_ibm_burning_grain/case.py index df7a4194ba..b12a4eaf76 100644 --- a/examples/2D_ibm_burning_grain/case.py +++ b/examples/2D_ibm_burning_grain/case.py @@ -22,6 +22,7 @@ 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].") args = parser.parse_args() ctfile = "h2o2.yaml" @@ -49,7 +50,7 @@ # dt from the acoustic CFL; small for explicit chemistry stability. cfl = 0.05 dt = cfl * dx / (v_blow + c0) -tend = 1.5e-4 +tend = args.tend NT = int(tend / dt) NS = max(1, NT // 60) From 970c19ac94d4d764819b3526b3b0405395de85bf Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Mon, 13 Jul 2026 21:02:07 -0400 Subject: [PATCH 08/25] simulation: add condensed-phase reactive burn (multi-fluid programmed detonation) --- docs/documentation/case.md | 7 ++ docs/module_categories.json | 1 + examples/1D_reactive_burn/case.py | 118 ++++++++++++++++++++++ src/common/m_global_parameters_common.fpp | 7 ++ src/simulation/m_reactive_burn.fpp | 68 +++++++++++++ src/simulation/m_rhs.fpp | 7 ++ toolchain/mfc/params/definitions.py | 7 ++ toolchain/mfc/params/descriptions.py | 5 + 8 files changed, 220 insertions(+) create mode 100644 examples/1D_reactive_burn/case.py create mode 100644 src/simulation/m_reactive_burn.fpp diff --git a/docs/documentation/case.md b/docs/documentation/case.md index bf61218e7d..81c348958e 100644 --- a/docs/documentation/case.md +++ b/docs/documentation/case.md @@ -1129,9 +1129,16 @@ 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 | - `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. + ### 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_reactive_burn/case.py b/examples/1D_reactive_burn/case.py new file mode 100644 index 0000000000..a214e914b8 --- /dev/null +++ b/examples/1D_reactive_burn/case.py @@ -0,0 +1,118 @@ +#!/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.") +args = parser.parse_args() + +# --- 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": 2, + "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, + "patch_icpp(1)%alpha_rho(2)": 0.0, + "patch_icpp(1)%alpha(1)": 1.0, + "patch_icpp(1)%alpha(2)": 0.0, + # 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, + "patch_icpp(2)%alpha_rho(2)": 0.0, + "patch_icpp(2)%alpha(1)": 1.0, + "patch_icpp(2)%alpha(2)": 0.0, + # 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/src/common/m_global_parameters_common.fpp b/src/common/m_global_parameters_common.fpp index 13e84c8b79..64a14a40f6 100644 --- a/src/common/m_global_parameters_common.fpp +++ b/src/common/m_global_parameters_common.fpp @@ -415,6 +415,13 @@ 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 + ! 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/simulation/m_reactive_burn.fpp b/src/simulation/m_reactive_burn.fpp new file mode 100644 index 0000000000..db2ebc7922 --- /dev/null +++ b/src/simulation/m_reactive_burn.fpp @@ -0,0 +1,68 @@ +!> +!! @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 + + $:GPU_PARALLEL_LOOP(collapse=3, private='[rho, pres, lambda, rate, mdot, drive]', 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 + 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/toolchain/mfc/params/definitions.py b/toolchain/mfc/params/definitions.py index 3cfbdbfbec..a1d9ae86bc 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 n in ["rburn_k", "rburn_pign", "rburn_pref", "rburn_n"]: + _r(n, REAL, {"reactive_burn"}) + # Acoustic _r("num_source", INT, {"acoustic"}) _r("acoustic_source", LOG, {"acoustic"}) @@ -1280,6 +1286,7 @@ 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_k", "rburn_pign", "rburn_pref", "rburn_n") _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..96411b120b 100644 --- a/toolchain/mfc/params/descriptions.py +++ b/toolchain/mfc/params/descriptions.py @@ -104,6 +104,11 @@ "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)", + "rburn_k": "Reactive-burn rate coefficient [1/s]", + "rburn_pign": "Reactive-burn ignition pressure threshold [Pa]", + "rburn_pref": "Reactive-burn reference pressure for the pressure drive [Pa]", + "rburn_n": "Reactive-burn pressure-drive exponent", "mhd": "Enable magnetohydrodynamics", "hyper_cleaning": "Enable hyperbolic divergence cleaning for MHD", "hyper_cleaning_speed": "Wave speed for hyperbolic divergence cleaning", From c1e73a25a84aaa556d069afd86359d9fdff1b2e9 Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Tue, 14 Jul 2026 10:23:02 -0400 Subject: [PATCH 09/25] simulation: harden reactive_burn preconditions and IBM burn-rate against negative pressure --- src/simulation/m_checker.fpp | 10 ++++++++++ src/simulation/m_ibm.fpp | 5 ++++- 2 files changed, 14 insertions(+), 1 deletion(-) diff --git a/src/simulation/m_checker.fpp b/src/simulation/m_checker.fpp index 7ebe1eed27..ddd1bbe4d2 100644 --- a/src/simulation/m_checker.fpp +++ b/src/simulation/m_checker.fpp @@ -56,6 +56,16 @@ contains @: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)") + if (num_particle_clouds > 0) then call s_check_inputs_particle_clouds end if diff --git a/src/simulation/m_ibm.fpp b/src/simulation/m_ibm.fpp index e3e1ba07d9..624784ee38 100644 --- a/src/simulation/m_ibm.fpp +++ b/src/simulation/m_ibm.fpp @@ -352,7 +352,10 @@ contains ! 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 - v_blow_eff = v_blow_eff*(pres_IP/patch_ib(patch_id)%burn_rate_pref)**patch_ib(patch_id)%burn_rate_exp + ! 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)) From aac6d7a57ebed9e44321643b2bd43ac77f4aaa59 Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Tue, 14 Jul 2026 13:47:16 -0400 Subject: [PATCH 10/25] test: add reactive_burn regression test (condensed programmed burn) --- tests/F08B0D0E/golden-metadata.txt | 191 +++++++++++++++++++++++++++++ tests/F08B0D0E/golden.txt | 24 ++++ toolchain/mfc/test/cases.py | 58 +++++++++ 3 files changed, 273 insertions(+) create mode 100644 tests/F08B0D0E/golden-metadata.txt create mode 100644 tests/F08B0D0E/golden.txt diff --git a/tests/F08B0D0E/golden-metadata.txt b/tests/F08B0D0E/golden-metadata.txt new file mode 100644 index 0000000000..d2d46e8137 --- /dev/null +++ b/tests/F08B0D0E/golden-metadata.txt @@ -0,0 +1,191 @@ +This file was created on 2026-07-14 13:45:48.243784. + +mfc.sh: + + Invocation: test --generate --only F08B0D0E -j 8 + Lock: mpi=Yes & gpu=Acc & debug=No & reldebug=No & gcov=No & unified=No & single=No & mixed=No & fastmath=No + Git: cae3d290114f97447bf50c4da842d3520026fe9f on chemistry (dirty) + +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 : /nethome/sbryngelson3/fastscratch/MFC-chemistry/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 : /nethome/sbryngelson3/fastscratch/MFC-chemistry/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 : /nethome/sbryngelson3/fastscratch/MFC-chemistry/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 : /nethome/sbryngelson3/fastscratch/MFC-chemistry/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: 50% + 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 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; RSB filling; PBRSB-eIBRS SW sequence; BHI SW loop, KVM SW loop + Vulnerability Srbds: Not affected + Vulnerability Tsx async abort: Not affected + Vulnerability Vmscape: Not affected + diff --git a/tests/F08B0D0E/golden.txt b/tests/F08B0D0E/golden.txt new file mode 100644 index 0000000000..685566c328 --- /dev/null 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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, + "patch_icpp(1)%vel(1)": 0.0, + "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, "", {})) + stack.pop() + + reactive_burn_cases() + def direction_symmetry_tests(): """3D tests with shock propagating in x and y directions. From 2421817072c89372199fd89e4d82e390cc9696fa Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Tue, 14 Jul 2026 14:00:22 -0400 Subject: [PATCH 11/25] examples: fix hybrid slab run time and viscosity (flame now anchors) --- examples/2D_hybrid_slab/case.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/examples/2D_hybrid_slab/case.py b/examples/2D_hybrid_slab/case.py index 33de31ca4d..17dee1fe08 100644 --- a/examples/2D_hybrid_slab/case.py +++ b/examples/2D_hybrid_slab/case.py @@ -12,7 +12,7 @@ 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=1.0e-4, help="Physical end time [s].") +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() @@ -137,7 +137,7 @@ # 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)": 200000, + "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 From d8020836a70842df2c4791c226c42fa58bb209f5 Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Tue, 14 Jul 2026 19:14:49 -0400 Subject: [PATCH 12/25] examples: add 3D spherical burning grain with octant symmetry --- examples/2D_ibm_burning_grain/case.py | 63 +++++++++++++++++++-------- 1 file changed, 46 insertions(+), 17 deletions(-) diff --git a/examples/2D_ibm_burning_grain/case.py b/examples/2D_ibm_burning_grain/case.py index b12a4eaf76..1e1aab23bb 100644 --- a/examples/2D_ibm_burning_grain/case.py +++ b/examples/2D_ibm_burning_grain/case.py @@ -23,7 +23,10 @@ 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. @@ -36,14 +39,25 @@ mu0 = ox.viscosity c0 = ox.sound_speed -# Chamber: 4 cm x 3 cm, solid fuel cylinder near the center. -Lx, Ly = 0.04, 0.03 -m, n = 160, 120 -dx = Lx / m - +# 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 -x_cyl = Lx / 2.0 -y_cyl = Ly / 2.0 +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] @@ -57,12 +71,12 @@ case = { "run_time_info": "T", "x_domain%beg": 0.0, - "x_domain%end": Lx, + "x_domain%end": Dx, "y_domain%beg": 0.0, - "y_domain%end": Ly, + "y_domain%end": Dy, "m": m, "n": n, - "p": 0, + "p": p, "cyl_coord": "F", "dt": float(dt), "t_step_start": 0, @@ -103,7 +117,7 @@ # Immersed boundary: solid fuel cylinder that injects H2 off its surface "ib": "T", "num_ibs": 1, - "patch_ib(1)%geometry": 2, + "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, @@ -115,12 +129,12 @@ "precision": "double", "prim_vars_wrt": "T", "ib_state_wrt": "T", - # Patch: hot O2/Ar oxidizer fills the chamber - "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: 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, @@ -132,6 +146,21 @@ "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 From d870f3191090d6eaf7a8a68eb3b809858057b464 Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Wed, 15 Jul 2026 13:42:01 -0400 Subject: [PATCH 13/25] example: reactive shock-flame RM roll-up via hardcoded IC 273 --- examples/2D_shock_flame/case.py | 149 +++++++++++++++++++++++++++ src/common/include/2dHardcodedIC.fpp | 15 +++ 2 files changed, 164 insertions(+) create mode 100644 examples/2D_shock_flame/case.py 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 From 83767eccbb41a4845126e5aa1e8bf1f3d5278608 Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Thu, 23 Jul 2026 19:41:56 -0400 Subject: [PATCH 14/25] test: golden files for combustion example and reactive-burn tests (generated on master base) --- tests/64F05A05/golden-metadata.txt | 193 +++++++++++++++++++++++++++++ tests/64F05A05/golden.txt | 24 ++++ tests/8430E4EA/golden-metadata.txt | 193 +++++++++++++++++++++++++++++ tests/8430E4EA/golden.txt | 30 +++++ tests/85405397/golden-metadata.txt | 193 +++++++++++++++++++++++++++++ tests/85405397/golden.txt | 56 +++++++++ tests/CF4FE4C9/golden-metadata.txt | 193 +++++++++++++++++++++++++++++ tests/CF4FE4C9/golden.txt | 30 +++++ tests/E5B66084/golden-metadata.txt | 193 +++++++++++++++++++++++++++++ tests/E5B66084/golden.txt | 30 +++++ tests/F08B0D0E/golden-metadata.txt | 154 +++++++++++------------ tests/F08B0D0E/golden.txt | 14 +-- tests/F200F862/golden-metadata.txt | 193 +++++++++++++++++++++++++++++ tests/F200F862/golden.txt | 30 +++++ 14 files changed, 1443 insertions(+), 83 deletions(-) create mode 100644 tests/64F05A05/golden-metadata.txt create mode 100644 tests/64F05A05/golden.txt create mode 100644 tests/8430E4EA/golden-metadata.txt create mode 100644 tests/8430E4EA/golden.txt create mode 100644 tests/85405397/golden-metadata.txt create mode 100644 tests/85405397/golden.txt create mode 100644 tests/CF4FE4C9/golden-metadata.txt create mode 100644 tests/CF4FE4C9/golden.txt create mode 100644 tests/E5B66084/golden-metadata.txt create mode 100644 tests/E5B66084/golden.txt create mode 100644 tests/F200F862/golden-metadata.txt create mode 100644 tests/F200F862/golden.txt diff --git a/tests/64F05A05/golden-metadata.txt b/tests/64F05A05/golden-metadata.txt new file mode 100644 index 0000000000..84c5eb7ede --- /dev/null +++ b/tests/64F05A05/golden-metadata.txt @@ -0,0 +1,193 @@ +This file was created on 2026-07-23 19:36:27.389604. + +mfc.sh: + + Invocation: test --generate -j 8 --only CF4FE4C9 E5B66084 85405397 8430E4EA 64F05A05 F200F862 F08B0D0E + Lock: mpi=Yes & gpu=Mp & debug=No & reldebug=No & gcov=No & unified=No & single=No & mixed=No & fastmath=No + Git: d870f3191090d6eaf7a8a68eb3b809858057b464 on 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: 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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: 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+mfc.sh: + + Invocation: test --generate -j 8 --only CF4FE4C9 E5B66084 85405397 8430E4EA 64F05A05 F200F862 F08B0D0E + Lock: mpi=Yes & gpu=Mp & debug=No & reldebug=No & gcov=No & unified=No & single=No & mixed=No & fastmath=No + Git: d870f3191090d6eaf7a8a68eb3b809858057b464 on 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: 50% + 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/8430E4EA/golden.txt b/tests/8430E4EA/golden.txt new file mode 100644 index 0000000000..7884548146 --- /dev/null +++ b/tests/8430E4EA/golden.txt @@ -0,0 +1,30 @@ +D/cons.1.00.000000.dat 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 0.30841838105101 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0.06499111846628 0.06499111846628 \ No newline at end of file diff --git a/tests/85405397/golden-metadata.txt b/tests/85405397/golden-metadata.txt new file mode 100644 index 0000000000..d22ec87381 --- /dev/null +++ b/tests/85405397/golden-metadata.txt @@ -0,0 +1,193 @@ +This file was created on 2026-07-23 19:36:27.548730. + +mfc.sh: + + Invocation: test --generate -j 8 --only CF4FE4C9 E5B66084 85405397 8430E4EA 64F05A05 F200F862 F08B0D0E + Lock: mpi=Yes & gpu=Mp & debug=No & reldebug=No & gcov=No & unified=No & single=No & mixed=No & fastmath=No + Git: d870f3191090d6eaf7a8a68eb3b809858057b464 on 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 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19:36:28.020459. + +mfc.sh: + + Invocation: test --generate -j 8 --only CF4FE4C9 E5B66084 85405397 8430E4EA 64F05A05 F200F862 F08B0D0E + Lock: mpi=Yes & gpu=Mp & debug=No & reldebug=No & gcov=No & unified=No & single=No & mixed=No & fastmath=No + Git: d870f3191090d6eaf7a8a68eb3b809858057b464 on 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: 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 0.06521806206941 0.06521806206941 0.06521806206941 0.06521806206941 0.06521806206941 0.06521806206941 0.06521806206941 0.06521806206941 0.06521806206941 0.06521806206941 0.06521806206941 0.06521806206941 0.06521806206941 0.06521806206941 0.06521806206941 0.06521806206941 0.06521806206941 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0.00855644234237 0.00855644234237 0.00855644234237 0.00855644234237 0.00855644234237 0.00855644234237 0.00855644234237 0.00855644234237 0.00855644234237 \ No newline at end of file diff --git a/tests/E5B66084/golden-metadata.txt b/tests/E5B66084/golden-metadata.txt new file mode 100644 index 0000000000..597a947352 --- /dev/null +++ b/tests/E5B66084/golden-metadata.txt @@ -0,0 +1,193 @@ +This file was created on 2026-07-23 19:36:30.174912. + +mfc.sh: + + Invocation: test --generate -j 8 --only CF4FE4C9 E5B66084 85405397 8430E4EA 64F05A05 F200F862 F08B0D0E + Lock: mpi=Yes & gpu=Mp & debug=No & reldebug=No & gcov=No & unified=No & single=No & mixed=No & fastmath=No + Git: d870f3191090d6eaf7a8a68eb3b809858057b464 on 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: 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 --git a/tests/E5B66084/golden.txt b/tests/E5B66084/golden.txt new file mode 100644 index 0000000000..603f3e5f0a --- /dev/null +++ b/tests/E5B66084/golden.txt @@ -0,0 +1,30 @@ +D/cons.1.00.000000.dat 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--- a/tests/F08B0D0E/golden-metadata.txt +++ b/tests/F08B0D0E/golden-metadata.txt @@ -1,12 +1,12 @@ -This file was created on 2026-07-14 13:45:48.243784. +This file was created on 2026-07-23 19:36:26.896933. mfc.sh: - Invocation: test --generate --only F08B0D0E -j 8 - Lock: mpi=Yes & gpu=Acc & debug=No & reldebug=No & gcov=No & unified=No & single=No & mixed=No & fastmath=No - Git: cae3d290114f97447bf50c4da842d3520026fe9f on chemistry (dirty) + Invocation: test --generate -j 8 --only CF4FE4C9 E5B66084 85405397 8430E4EA 64F05A05 F200F862 F08B0D0E + Lock: mpi=Yes & gpu=Mp & debug=No & reldebug=No & gcov=No & unified=No & single=No & mixed=No & fastmath=No + Git: d870f3191090d6eaf7a8a68eb3b809858057b464 on combustion-clean (dirty) -pre_process: +simulation: CMake Configuration: @@ -15,32 +15,32 @@ pre_process: 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 + PRE_PROCESS : OFF + SIMULATION : ON POST_PROCESS : OFF SYSCHECK : OFF DOCUMENTATION : OFF ALL : OFF MPI : ON - OpenACC : ON - OpenMP : OFF + OpenACC : OFF + OpenMP : ON - Fypp : /nethome/sbryngelson3/fastscratch/MFC-chemistry/build/venv/bin/fypp + Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp Doxygen : Build Type : Release Configuration Environment: - CC : nvc - CXX : nvc++ - FC : nvfortran + 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 : -simulation: +pre_process: CMake Configuration: @@ -49,27 +49,27 @@ simulation: 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 + PRE_PROCESS : ON + SIMULATION : OFF POST_PROCESS : OFF SYSCHECK : OFF DOCUMENTATION : OFF ALL : OFF MPI : ON - OpenACC : ON - OpenMP : OFF + OpenACC : OFF + OpenMP : ON - Fypp : /nethome/sbryngelson3/fastscratch/MFC-chemistry/build/venv/bin/fypp + Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp Doxygen : Build Type : Release Configuration Environment: - CC : nvc - CXX : nvc++ - FC : nvfortran + 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 : @@ -91,19 +91,19 @@ post_process: ALL : OFF MPI : ON - OpenACC : ON - OpenMP : OFF + OpenACC : OFF + OpenMP : ON - Fypp : /nethome/sbryngelson3/fastscratch/MFC-chemistry/build/venv/bin/fypp + Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp Doxygen : Build Type : Release Configuration Environment: - CC : nvc - CXX : nvc++ - FC : nvfortran + 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 : @@ -125,19 +125,19 @@ syscheck: ALL : OFF MPI : ON - OpenACC : ON - OpenMP : OFF + OpenACC : OFF + OpenMP : ON - Fypp : /nethome/sbryngelson3/fastscratch/MFC-chemistry/build/venv/bin/fypp + Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp Doxygen : Build Type : Release Configuration Environment: - CC : nvc - CXX : nvc++ - FC : nvfortran + 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 : @@ -146,46 +146,48 @@ 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: 50% - 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 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; RSB filling; PBRSB-eIBRS SW sequence; BHI SW loop, KVM SW loop - Vulnerability Srbds: Not affected - Vulnerability Tsx async abort: Not affected - Vulnerability Vmscape: Not affected + 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: 42% + 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 b/tests/F08B0D0E/golden.txt index 685566c328..6d77390fbc 100644 --- a/tests/F08B0D0E/golden.txt +++ b/tests/F08B0D0E/golden.txt @@ -1,9 +1,9 @@ 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 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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64F05A05 F200F862 F08B0D0E + Lock: mpi=Yes & gpu=Mp & debug=No & reldebug=No & gcov=No & unified=No & single=No & mixed=No & fastmath=No + Git: d870f3191090d6eaf7a8a68eb3b809858057b464 on 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: 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 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 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 0.38552297631377 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0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 0.08123889808287 \ No newline at end of file From c1c5ada93866cc7e30b6f68007a7bde260d1483b Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Thu, 23 Jul 2026 20:11:06 -0400 Subject: [PATCH 15/25] checker: require rburn_pref > 0 and forbid chemistry + Euler bubbles Addresses PR review (Copilot): - reactive_burn divides the pressure drive by rburn_pref; prohibit rburn_pref <= 0 - s_interpolate_image_point selects the bubbles/QBMM branch before chemistry, so the Ys_IP species state is not carried when both are on; forbid chemistry + bubbles_euler/qbmm (Fortran m_checker + Python case_validator) rather than touch the hot IBM path --- src/simulation/m_checker.fpp | 8 ++++++++ toolchain/mfc/case_validator.py | 8 ++++++++ 2 files changed, 16 insertions(+) diff --git a/src/simulation/m_checker.fpp b/src/simulation/m_checker.fpp index ddd1bbe4d2..041027a032 100644 --- a/src/simulation/m_checker.fpp +++ b/src/simulation/m_checker.fpp @@ -50,6 +50,12 @@ 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") @@ -65,6 +71,8 @@ contains & "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)") if (num_particle_clouds > 0) then call s_check_inputs_particle_clouds diff --git a/toolchain/mfc/case_validator.py b/toolchain/mfc/case_validator.py index 419920feec..e52aff8fbf 100644 --- a/toolchain/mfc/case_validator.py +++ b/toolchain/mfc/case_validator.py @@ -1517,6 +1517,14 @@ 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] From 9f005e721958536551e21768cf1540895a57d993 Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Thu, 23 Jul 2026 21:06:30 -0400 Subject: [PATCH 16/25] checker: constrain reactive_burn to model_eqns=2 and burn_rate_exp >= 0 Addresses independent review findings on #1670: - reactive_burn's exact volume-fraction swap and single-pressure read assume the 5-equation pressure-equilibrium model, but num_fluids=2 alone also admits model_eqns=3; prohibit model_eqns /= 2 (m_checker + case_validator.check_reactive_burn + PHYSICS_DOCS) - Vieille's-law v_blow ~ p^n diverges for a negative exponent as surface pressure -> 0; prohibit patch_ib%burn_rate_exp < 0 (case_validator.check_ibm) --- src/simulation/m_checker.fpp | 2 ++ toolchain/mfc/case_validator.py | 27 +++++++++++++++++++++++++++ 2 files changed, 29 insertions(+) diff --git a/src/simulation/m_checker.fpp b/src/simulation/m_checker.fpp index 041027a032..92a133ad91 100644 --- a/src/simulation/m_checker.fpp +++ b/src/simulation/m_checker.fpp @@ -73,6 +73,8 @@ contains & "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)") + @:PROHIBIT(reactive_burn .and. model_eqns /= 2, & + & "reactive_burn requires model_eqns = 2 (the exact volume-fraction swap and single-pressure read assume the 5-equation pressure-equilibrium model)") if (num_particle_clouds > 0) then call s_check_inputs_particle_clouds diff --git a/toolchain/mfc/case_validator.py b/toolchain/mfc/case_validator.py index e52aff8fbf..a97a649aa3 100644 --- a/toolchain/mfc/case_validator.py +++ b/toolchain/mfc/case_validator.py @@ -124,6 +124,15 @@ "category": "Bubble Physics", "explanation": "2D/3D only. 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 and num_fluids = 2 (reactant, product) sharing the stiffened-gas EOS " + "(equal gamma, pi_inf) with qv_reactant > qv_product, and rburn_pref > 0." + ), + }, # Numerical Schemes "check_weno": { "title": "WENO Reconstruction", @@ -683,6 +692,13 @@ 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) @@ -1560,6 +1576,16 @@ 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") + # The exact volume-fraction swap and single-pressure read assume the 5-equation + # pressure-equilibrium model; num_fluids = 2 alone also admits model_eqns = 3. + self.prohibit(model_eqns is not None and model_eqns != 2, "reactive_burn requires model_eqns = 2 (5-equation pressure-equilibrium model)") + def check_misc_pre_process(self): """Checks miscellaneous pre-process constraints""" mixlayer_vel_profile = self.get("mixlayer_vel_profile", "F") == "T" @@ -2289,6 +2315,7 @@ 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""" From b45dc8e1c1edded831ce605562a4e67c762f660f Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Fri, 24 Jul 2026 10:39:43 -0400 Subject: [PATCH 17/25] feat(reactive-burn): 6-equation model support + Arrhenius temperature kinetics Extends the condensed-phase reactive burn beyond the 5-equation model to the 6-equation (Saurel/Pelanti) multi-fluid model, and adds an optional temperature-driven ignition term. 6-equation support: the reactant->product qv release is carried through the phasic-pressure relaxation. m_pressure_relaxation.fpp threaded the formation energy (alpha_rho_k*qv_k) through s_equilibrate_pressure and s_correct_internal_energies so the phasic pressures and the recovered mixture pressure are qv-consistent with s_compute_pressure -- otherwise a nonzero qv inflated the phasic pressure by rho_k*qv_k/gamma_k. The existing 5-eq burn source then works unchanged on model_eqns=3. For qv=0 the new terms are exactly zero, so all 13 existing 6-eq relaxation goldens are bit-identical (verified CPU/OMP/ACC). Arrhenius kinetics: new rburn_ta (activation temperature [K]); default 0 keeps the pure pressure-driven rate bit-identical. When rburn_ta>0 the rate gains a exp(-rburn_ta/T_r) factor, with T_r=(p+pi_inf)/((gamma-1)*cv*rho) the reactant phasic temperature. Guarded (checker + case_validator) so rburn_ta>0 with cv=0 is rejected instead of silently disabling the factor. Test: adds a model_eqns=3 reactive-burn regression golden (nested off the 5-eq test), and hardens both reactive goldens by giving the uniform case a small advection velocity so the momentum output is well-resolved rather than near-zero roundoff (the old golden compared ~0 momentum at 1e-12 and failed across recompiles/backends). Validated on CPU, OpenMP-offload, and OpenACC. --- docs/documentation/case.md | 3 +- examples/1D_reactive_burn/case.py | 24 ++- src/common/m_global_parameters_common.fpp | 1 + src/simulation/m_checker.fpp | 8 +- src/simulation/m_pressure_relaxation.fpp | 21 ++- src/simulation/m_reactive_burn.fpp | 14 +- tests/5F3BB2E0/golden-metadata.txt | 193 ++++++++++++++++++++++ tests/5F3BB2E0/golden.txt | 16 ++ tests/F08B0D0E/golden-metadata.txt | 44 ++--- tests/F08B0D0E/golden.txt | 22 +-- toolchain/mfc/case_validator.py | 17 +- toolchain/mfc/params/definitions.py | 4 +- toolchain/mfc/params/descriptions.py | 1 + toolchain/mfc/test/cases.py | 12 +- 14 files changed, 320 insertions(+), 60 deletions(-) create mode 100644 tests/5F3BB2E0/golden-metadata.txt create mode 100644 tests/5F3BB2E0/golden.txt diff --git a/docs/documentation/case.md b/docs/documentation/case.md index 81c348958e..08241403e7 100644 --- a/docs/documentation/case.md +++ b/docs/documentation/case.md @@ -1134,10 +1134,11 @@ Note: For relativistic flow, the conservative and primitive densities are differ | `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. +- `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 diff --git a/examples/1D_reactive_burn/case.py b/examples/1D_reactive_burn/case.py index a214e914b8..a547e5568b 100644 --- a/examples/1D_reactive_burn/case.py +++ b/examples/1D_reactive_burn/case.py @@ -16,8 +16,14 @@ 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] @@ -57,7 +63,7 @@ "t_step_print": max(1, NT // 20), "parallel_io": "T", # Algorithm - "model_eqns": 2, + "model_eqns": args.model, "num_fluids": 2, "num_patches": 2, "mpp_lim": "T", @@ -90,10 +96,10 @@ "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, - "patch_icpp(1)%alpha_rho(2)": 0.0, - "patch_icpp(1)%alpha(1)": 1.0, - "patch_icpp(1)%alpha(2)": 0.0, + "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", @@ -101,10 +107,10 @@ "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, - "patch_icpp(2)%alpha_rho(2)": 0.0, - "patch_icpp(2)%alpha(1)": 1.0, - "patch_icpp(2)%alpha(2)": 0.0, + "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, diff --git a/src/common/m_global_parameters_common.fpp b/src/common/m_global_parameters_common.fpp index 64a14a40f6..4a4d7ffc99 100644 --- a/src/common/m_global_parameters_common.fpp +++ b/src/common/m_global_parameters_common.fpp @@ -421,6 +421,7 @@ contains 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. diff --git a/src/simulation/m_checker.fpp b/src/simulation/m_checker.fpp index 92a133ad91..8631481a29 100644 --- a/src/simulation/m_checker.fpp +++ b/src/simulation/m_checker.fpp @@ -73,8 +73,12 @@ contains & "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)") - @:PROHIBIT(reactive_burn .and. model_eqns /= 2, & - & "reactive_burn requires model_eqns = 2 (the exact volume-fraction swap and single-pressure read assume the 5-equation pressure-equilibrium model)") + @: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 (num_particle_clouds > 0) then call s_check_inputs_particle_clouds 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 index db2ebc7922..5abdd63a0f 100644 --- a/src/simulation/m_reactive_burn.fpp +++ b/src/simulation/m_reactive_burn.fpp @@ -33,9 +33,9 @@ contains 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 + real(wp) :: rho, pres, lambda, rate, mdot, drive, T_r - $:GPU_PARALLEL_LOOP(collapse=3, private='[rho, pres, lambda, rate, mdot, drive]', copyin='[bounds]') + $: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 @@ -48,6 +48,16 @@ contains 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 diff --git a/tests/5F3BB2E0/golden-metadata.txt b/tests/5F3BB2E0/golden-metadata.txt new file mode 100644 index 0000000000..6bf013507d --- /dev/null +++ b/tests/5F3BB2E0/golden-metadata.txt @@ -0,0 +1,193 @@ +This file was created on 2026-07-24 10:07:46.767536. + +mfc.sh: + + Invocation: test --generate --only Reactive Burn --no-build -j 8 + Lock: mpi=Yes & gpu=No & debug=No & reldebug=No & gcov=No & unified=No & single=No & mixed=No & fastmath=No + Git: 9f005e721958536551e21768cf1540895a57d993 on reactive-burn-6eq (dirty) + +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 : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/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 : + +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 : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/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 : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/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 : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/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 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d870f3191090d6eaf7a8a68eb3b809858057b464 on combustion-clean (dirty) + Invocation: test --generate --only Reactive Burn --no-build -j 8 + Lock: mpi=Yes & gpu=No & debug=No & reldebug=No & gcov=No & unified=No & single=No & mixed=No & fastmath=No + Git: 9f005e721958536551e21768cf1540895a57d993 on reactive-burn-6eq (dirty) -simulation: +post_process: CMake Configuration: @@ -16,17 +16,17 @@ simulation: 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 + SIMULATION : OFF + POST_PROCESS : ON SYSCHECK : OFF DOCUMENTATION : OFF ALL : OFF MPI : ON OpenACC : OFF - OpenMP : ON + OpenMP : OFF - Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp Doxygen : Build Type : Release @@ -40,7 +40,7 @@ simulation: OMPI_CXX : OMPI_FC : -pre_process: +simulation: CMake Configuration: @@ -49,8 +49,8 @@ pre_process: 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 + PRE_PROCESS : OFF + SIMULATION : ON POST_PROCESS : OFF SYSCHECK : OFF DOCUMENTATION : OFF @@ -58,9 +58,9 @@ pre_process: MPI : ON OpenACC : OFF - OpenMP : ON + OpenMP : OFF - Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp Doxygen : Build Type : Release @@ -74,7 +74,7 @@ pre_process: OMPI_CXX : OMPI_FC : -post_process: +pre_process: CMake Configuration: @@ -83,18 +83,18 @@ post_process: 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 + PRE_PROCESS : ON SIMULATION : OFF - POST_PROCESS : ON + POST_PROCESS : OFF SYSCHECK : OFF DOCUMENTATION : OFF ALL : OFF MPI : ON OpenACC : OFF - OpenMP : ON + OpenMP : OFF - Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp Doxygen : Build Type : Release @@ -126,9 +126,9 @@ syscheck: MPI : ON OpenACC : OFF - OpenMP : ON + OpenMP : OFF - Fypp : /fastscratch/sbryngelson3/combustion-clean/build/venv/bin/fypp + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp Doxygen : Build Type : Release @@ -160,7 +160,7 @@ CPU: Core(s) per socket: 32 Socket(s): 2 Stepping: 6 - CPU(s) scaling MHz: 42% + CPU(s) scaling MHz: 43% CPU max MHz: 3200.0000 CPU min MHz: 800.0000 BogoMIPS: 4000.00 diff --git a/tests/F08B0D0E/golden.txt b/tests/F08B0D0E/golden.txt index 6d77390fbc..71c51d5385 100644 --- a/tests/F08B0D0E/golden.txt +++ b/tests/F08B0D0E/golden.txt @@ -1,23 +1,23 @@ 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 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diff --git a/toolchain/mfc/case_validator.py b/toolchain/mfc/case_validator.py index a97a649aa3..0cd0851c2c 100644 --- a/toolchain/mfc/case_validator.py +++ b/toolchain/mfc/case_validator.py @@ -129,8 +129,9 @@ "category": "Combustion", "explanation": ( "Programmed pressure-driven burn converting a reactant fluid to a product fluid on the multi-fluid model. " - "Requires model_eqns = 2 and num_fluids = 2 (reactant, product) sharing the stiffened-gas EOS " - "(equal gamma, pi_inf) with qv_reactant > qv_product, and rburn_pref > 0." + "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, and rburn_pref > 0. " + "rburn_ta (activation temperature [K]) is optional and must be >= 0; >0 adds an Arrhenius exp(-rburn_ta/T) factor." ), }, # Numerical Schemes @@ -1582,9 +1583,15 @@ def check_reactive_burn(self): if not reactive_burn: return model_eqns = self.get("model_eqns") - # The exact volume-fraction swap and single-pressure read assume the 5-equation - # pressure-equilibrium model; num_fluids = 2 alone also admits model_eqns = 3. - self.prohibit(model_eqns is not None and model_eqns != 2, "reactive_burn requires model_eqns = 2 (5-equation pressure-equilibrium model)") + # 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)") + rburn_ta = self.get("rburn_ta") + self.prohibit(self._is_numeric(rburn_ta) and rburn_ta < 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(rburn_ta) and rburn_ta > 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""" diff --git a/toolchain/mfc/params/definitions.py b/toolchain/mfc/params/definitions.py index a1d9ae86bc..31a97788af 100644 --- a/toolchain/mfc/params/definitions.py +++ b/toolchain/mfc/params/definitions.py @@ -632,7 +632,7 @@ def _load(): # Condensed-phase reactive burn (programmed pressure burn on the multi-fluid model) _r("reactive_burn", LOG, {"reactive_burn"}) - for n in ["rburn_k", "rburn_pign", "rburn_pref", "rburn_n"]: + for n in ["rburn_k", "rburn_pign", "rburn_pref", "rburn_n", "rburn_ta"]: _r(n, REAL, {"reactive_burn"}) # Acoustic @@ -1286,7 +1286,7 @@ 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_k", "rburn_pign", "rburn_pref", "rburn_n") +_nv(_ALL, "reactive_burn", "rburn_k", "rburn_pign", "rburn_pref", "rburn_n", "rburn_ta") _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 96411b120b..a884fa88ef 100644 --- a/toolchain/mfc/params/descriptions.py +++ b/toolchain/mfc/params/descriptions.py @@ -109,6 +109,7 @@ "rburn_pign": "Reactive-burn ignition pressure threshold [Pa]", "rburn_pref": "Reactive-burn reference pressure for the pressure drive [Pa]", "rburn_n": "Reactive-burn pressure-drive exponent", + "rburn_ta": "Reactive-burn activation temperature [K] (0 = pure pressure-driven; >0 adds an Arrhenius exp(-rburn_ta/T) factor)", "mhd": "Enable magnetohydrodynamics", "hyper_cleaning": "Enable hyperbolic divergence cleaning for MHD", "hyper_cleaning_speed": "Wave speed for hyperbolic divergence cleaning", diff --git a/toolchain/mfc/test/cases.py b/toolchain/mfc/test/cases.py index a290fee4e1..ed99680567 100644 --- a/toolchain/mfc/test/cases.py +++ b/toolchain/mfc/test/cases.py @@ -2342,7 +2342,11 @@ def reactive_burn_cases(): "patch_icpp(1)%geometry": 1, "patch_icpp(1)%x_centroid": 0.0025, "patch_icpp(1)%length_x": 0.005, - "patch_icpp(1)%vel(1)": 0.0, + # 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, @@ -2354,6 +2358,12 @@ def reactive_burn_cases(): }, ) 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() stack.pop() reactive_burn_cases() From d5972dab060de92334c1cd6d1387d028ed208623 Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Fri, 24 Jul 2026 10:49:33 -0400 Subject: [PATCH 18/25] test(reactive-burn): add Arrhenius (rburn_ta>0) regression golden Nested off the reactive-burn detonation test with rburn_ta=500 and cv=1500, chosen so the exp(-rburn_ta/T_r) factor is O(0.4) at the IC temperature -- exercising the temperature branch (all other reactive goldens use rburn_ta=0). Verified on CPU, OpenMP-offload, and OpenACC. --- tests/135ED2EF/golden-metadata.txt | 193 +++++++++++++++++++++++++++++ tests/135ED2EF/golden.txt | 24 ++++ toolchain/mfc/test/cases.py | 6 + 3 files changed, 223 insertions(+) create mode 100644 tests/135ED2EF/golden-metadata.txt create mode 100644 tests/135ED2EF/golden.txt diff --git a/tests/135ED2EF/golden-metadata.txt b/tests/135ED2EF/golden-metadata.txt new file mode 100644 index 0000000000..88521f34a1 --- /dev/null +++ b/tests/135ED2EF/golden-metadata.txt @@ -0,0 +1,193 @@ +This file was created on 2026-07-24 10:48:22.838177. + +mfc.sh: + + Invocation: test --generate --only Arrhenius --no-build -j 8 + Lock: mpi=Yes & gpu=Acc & debug=No & reldebug=No & gcov=No & unified=No & single=No & mixed=No & fastmath=No + Git: b45dc8e1c1edded831ce605562a4e67c762f660f on reactive-burn-6eq (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 : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/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 : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/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 : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/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 : ON + OpenMP : OFF + + Fypp : /fastscratch/sbryngelson3/pelanti-6eq/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: 45% + 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 +++ 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0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 0.19392893597937 \ No newline at end of file diff --git a/toolchain/mfc/test/cases.py b/toolchain/mfc/test/cases.py index ed99680567..5c5ef0863e 100644 --- a/toolchain/mfc/test/cases.py +++ b/toolchain/mfc/test/cases.py @@ -2364,6 +2364,12 @@ def reactive_burn_cases(): 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() stack.pop() reactive_burn_cases() From ffd31d3474c32ea946fc07db3d6d5beae76daac2 Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Fri, 24 Jul 2026 13:13:04 -0400 Subject: [PATCH 19/25] refactor(reactive-burn): group rburn params into a derived type; address review panel + CI Post-review hardening from a 5-reviewer panel, plus the CI-surfaced flame-example fragility. rburn derived type: the five rburn_* scalars (k, pign, pref, n, ta) become a rburn type instance, matching the sibling chem_params pattern (type in m_derived_types, TYPED_DECLS registration, member _r/_nv, descriptions regex, auto GPU_DECLARE + GPU_UPDATE(device=[rburn]) in m_global_parameters and m_start_up so the type is device-resident). Numerically inert (~1 ULP recompile roundoff); reactive goldens regenerated for the namelist-key change. Verified CPU/OMP/ACC. Completeness guards (review): rburn%k (>0), rburn%pign (set), rburn%pref (>0), rburn%n (>=0) are now validated in both m_checker and case_validator. Each defaults to the dflt_real sentinel, so an unset value silently produced spurious ignition (pign), NaN via drive**n (n), or a backward reaction (k). IB inj_species bound (review): m_checker now requires patch_ib%inj_species <= num_species when chemistry + ib; it indexes Ys_IP(1:num_species) at image points, so an out-of-range value was an out-of-bounds write. Docs (review): reactive_burn requires num_fluids = 2 (checker aborts otherwise), corrected from >= 2 in case.md and the module docstring. CI: skip the 1D_propellant_flame example (golden removed). Its finite-rate flame front drifts past the 1e-3 Example tolerance across compilers (nvhpc 25.11 golden vs 24.3/GNU/Intel/CCE/AMD) -- same non-portability class as the flame examples already skipped. The reactive_burn detonation goldens remain portable (they passed every CI lane). --- docs/documentation/case.md | 12 +- examples/1D_reactive_burn/case.py | 10 +- src/common/m_derived_types.fpp | 10 ++ src/common/m_global_parameters_common.fpp | 10 +- src/simulation/m_checker.fpp | 39 ++++- src/simulation/m_global_parameters.fpp | 2 + src/simulation/m_reactive_burn.fpp | 26 +-- src/simulation/m_start_up.fpp | 2 + tests/135ED2EF/golden-metadata.txt | 44 ++--- tests/5F3BB2E0/golden-metadata.txt | 52 +++--- tests/5F3BB2E0/golden.txt | 12 +- tests/85405397/golden-metadata.txt | 193 ---------------------- tests/85405397/golden.txt | 56 ------- tests/F08B0D0E/golden-metadata.txt | 52 +++--- tests/F08B0D0E/golden.txt | 14 +- toolchain/mfc/case_validator.py | 22 ++- toolchain/mfc/params/definitions.py | 7 +- toolchain/mfc/params/descriptions.py | 13 +- toolchain/mfc/test/cases.py | 20 ++- 19 files changed, 204 insertions(+), 392 deletions(-) delete mode 100644 tests/85405397/golden-metadata.txt delete mode 100644 tests/85405397/golden.txt diff --git a/docs/documentation/case.md b/docs/documentation/case.md index 08241403e7..2732ba69eb 100644 --- a/docs/documentation/case.md +++ b/docs/documentation/case.md @@ -1130,15 +1130,15 @@ Note: For relativistic flow, the conservative and primitive densities are differ | `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) | +| `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. +- `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 diff --git a/examples/1D_reactive_burn/case.py b/examples/1D_reactive_burn/case.py index a547e5568b..c8be4ce134 100644 --- a/examples/1D_reactive_burn/case.py +++ b/examples/1D_reactive_burn/case.py @@ -4,7 +4,7 @@ # 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 +# 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. @@ -82,10 +82,10 @@ "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 + "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", diff --git a/src/common/m_derived_types.fpp b/src/common/m_derived_types.fpp index 70dadbbf5e..e52054befa 100644 --- a/src/common/m_derived_types.fpp +++ b/src/common/m_derived_types.fpp @@ -529,6 +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 4a4d7ffc99..4e65b887e0 100644 --- a/src/common/m_global_parameters_common.fpp +++ b/src/common/m_global_parameters_common.fpp @@ -417,11 +417,11 @@ contains ! 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 + 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. diff --git a/src/simulation/m_checker.fpp b/src/simulation/m_checker.fpp index 8631481a29..3d752f1c36 100644 --- a/src/simulation/m_checker.fpp +++ b/src/simulation/m_checker.fpp @@ -71,14 +71,27 @@ contains & "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)") + @: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)") + @: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 @@ -156,6 +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 742ee623d1..5db4b0f72e 100644 --- a/src/simulation/m_global_parameters.fpp +++ b/src/simulation/m_global_parameters.fpp @@ -943,6 +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_reactive_burn.fpp b/src/simulation/m_reactive_burn.fpp index 5abdd63a0f..1334575b27 100644 --- a/src/simulation/m_reactive_burn.fpp +++ b/src/simulation/m_reactive_burn.fpp @@ -6,12 +6,12 @@ #: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. +!! 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 @@ -44,18 +44,18 @@ contains 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 + ! 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 + 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 + ! 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 + ! 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) + rate = rate*exp(-rburn%ta/T_r) end if mdot = rho*rate ! mass reactant -> product 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 index 88521f34a1..82a8687a03 100644 --- a/tests/135ED2EF/golden-metadata.txt +++ b/tests/135ED2EF/golden-metadata.txt @@ -1,12 +1,12 @@ -This file was created on 2026-07-24 10:48:22.838177. +This file was created on 2026-07-24 13:02:20.515005. mfc.sh: - Invocation: test --generate --only Arrhenius --no-build -j 8 + 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: b45dc8e1c1edded831ce605562a4e67c762f660f on reactive-burn-6eq (dirty) + Git: d5972dab060de92334c1cd6d1387d028ed208623 on reactive-burn-6eq (dirty) -simulation: +syscheck: CMake Configuration: @@ -16,9 +16,9 @@ simulation: Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) PRE_PROCESS : OFF - SIMULATION : ON + SIMULATION : OFF POST_PROCESS : OFF - SYSCHECK : OFF + SYSCHECK : ON DOCUMENTATION : OFF ALL : OFF @@ -33,14 +33,14 @@ simulation: 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 + CC : nvc + CXX : nvc++ + FC : nvfortran OMPI_CC : OMPI_CXX : OMPI_FC : -syscheck: +simulation: CMake Configuration: @@ -50,9 +50,9 @@ syscheck: Fortran : NVHPC v25.11.0 (/opt/nvidia/hpc_sdk/Linux_x86_64/25.11/compilers/bin/nvfortran) PRE_PROCESS : OFF - SIMULATION : OFF + SIMULATION : ON POST_PROCESS : OFF - SYSCHECK : ON + SYSCHECK : OFF DOCUMENTATION : OFF ALL : OFF @@ -67,9 +67,9 @@ syscheck: 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 + CC : nvc + CXX : nvc++ + FC : nvfortran OMPI_CC : OMPI_CXX : OMPI_FC : @@ -101,9 +101,9 @@ pre_process: 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 + CC : nvc + CXX : nvc++ + FC : nvfortran OMPI_CC : OMPI_CXX : OMPI_FC : @@ -135,9 +135,9 @@ post_process: 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 + CC : nvc + CXX : nvc++ + FC : nvfortran OMPI_CC : OMPI_CXX : OMPI_FC : @@ -160,7 +160,7 @@ CPU: Core(s) per socket: 32 Socket(s): 2 Stepping: 6 - CPU(s) scaling MHz: 45% + CPU(s) scaling MHz: 68% CPU max MHz: 3200.0000 CPU min MHz: 800.0000 BogoMIPS: 4000.00 diff --git a/tests/5F3BB2E0/golden-metadata.txt b/tests/5F3BB2E0/golden-metadata.txt index 6bf013507d..de2475f4a0 100644 --- a/tests/5F3BB2E0/golden-metadata.txt +++ b/tests/5F3BB2E0/golden-metadata.txt @@ -1,12 +1,12 @@ -This file was created on 2026-07-24 10:07:46.767536. +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=No & debug=No & reldebug=No & gcov=No & unified=No & single=No & mixed=No & fastmath=No - Git: 9f005e721958536551e21768cf1540895a57d993 on reactive-burn-6eq (dirty) + 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) -post_process: +syscheck: CMake Configuration: @@ -17,13 +17,13 @@ post_process: PRE_PROCESS : OFF SIMULATION : OFF - POST_PROCESS : ON - SYSCHECK : OFF + POST_PROCESS : OFF + SYSCHECK : ON DOCUMENTATION : OFF ALL : OFF MPI : ON - OpenACC : OFF + OpenACC : ON OpenMP : OFF Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp @@ -33,9 +33,9 @@ post_process: 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 + CC : nvc + CXX : nvc++ + FC : nvfortran OMPI_CC : OMPI_CXX : OMPI_FC : @@ -57,7 +57,7 @@ simulation: ALL : OFF MPI : ON - OpenACC : OFF + OpenACC : ON OpenMP : OFF Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp @@ -67,9 +67,9 @@ simulation: 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 + CC : nvc + CXX : nvc++ + FC : nvfortran OMPI_CC : OMPI_CXX : OMPI_FC : @@ -91,7 +91,7 @@ pre_process: ALL : OFF MPI : ON - OpenACC : OFF + OpenACC : ON OpenMP : OFF Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp @@ -101,14 +101,14 @@ pre_process: 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 + CC : nvc + CXX : nvc++ + FC : nvfortran OMPI_CC : OMPI_CXX : OMPI_FC : -syscheck: +post_process: CMake Configuration: @@ -119,13 +119,13 @@ syscheck: PRE_PROCESS : OFF SIMULATION : OFF - POST_PROCESS : OFF - SYSCHECK : ON + POST_PROCESS : ON + SYSCHECK : OFF DOCUMENTATION : OFF ALL : OFF MPI : ON - OpenACC : OFF + OpenACC : ON OpenMP : OFF Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp @@ -135,9 +135,9 @@ syscheck: 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 + CC : nvc + CXX : nvc++ + FC : nvfortran OMPI_CC : OMPI_CXX : OMPI_FC : @@ -160,7 +160,7 @@ CPU: Core(s) per socket: 32 Socket(s): 2 Stepping: 6 - CPU(s) scaling MHz: 51% + CPU(s) scaling MHz: 66% CPU max MHz: 3200.0000 CPU min MHz: 800.0000 BogoMIPS: 4000.00 diff --git a/tests/5F3BB2E0/golden.txt b/tests/5F3BB2E0/golden.txt index d96a63f3f5..912497b5aa 100644 --- a/tests/5F3BB2E0/golden.txt +++ b/tests/5F3BB2E0/golden.txt @@ -1,16 +1,16 @@ 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 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- Lock: mpi=Yes & gpu=Mp & debug=No & reldebug=No & gcov=No & unified=No & single=No & mixed=No & fastmath=No - Git: d870f3191090d6eaf7a8a68eb3b809858057b464 on 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 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unified=No & single=No & mixed=No & fastmath=No + Git: d5972dab060de92334c1cd6d1387d028ed208623 on reactive-burn-6eq (dirty) -post_process: +syscheck: CMake Configuration: @@ -17,13 +17,13 @@ post_process: PRE_PROCESS : OFF SIMULATION : OFF - POST_PROCESS : ON - SYSCHECK : OFF + POST_PROCESS : OFF + SYSCHECK : ON DOCUMENTATION : OFF ALL : OFF MPI : ON - OpenACC : OFF + OpenACC : ON OpenMP : OFF Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp @@ -33,9 +33,9 @@ post_process: 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 + CC : nvc + CXX : nvc++ + FC : nvfortran OMPI_CC : OMPI_CXX : OMPI_FC : @@ -57,7 +57,7 @@ simulation: ALL : OFF MPI : ON - OpenACC : OFF + OpenACC : ON OpenMP : OFF Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp @@ -67,9 +67,9 @@ simulation: 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 + CC : nvc + CXX : nvc++ + FC : nvfortran OMPI_CC : OMPI_CXX : OMPI_FC : @@ -91,7 +91,7 @@ pre_process: ALL : OFF MPI : ON - OpenACC : OFF + OpenACC : ON OpenMP : OFF Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp @@ -101,14 +101,14 @@ pre_process: 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 + CC : nvc + CXX : nvc++ + FC : nvfortran OMPI_CC : OMPI_CXX : OMPI_FC : -syscheck: +post_process: CMake Configuration: @@ -119,13 +119,13 @@ syscheck: PRE_PROCESS : OFF SIMULATION : OFF - POST_PROCESS : OFF - SYSCHECK : ON + POST_PROCESS : ON + SYSCHECK : OFF DOCUMENTATION : OFF ALL : OFF MPI : ON - OpenACC : OFF + OpenACC : ON OpenMP : OFF Fypp : /fastscratch/sbryngelson3/pelanti-6eq/build/venv/bin/fypp @@ -135,9 +135,9 @@ syscheck: 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 + CC : nvc + CXX : nvc++ + FC : nvfortran OMPI_CC : OMPI_CXX : OMPI_FC : @@ -160,7 +160,7 @@ CPU: Core(s) per socket: 32 Socket(s): 2 Stepping: 6 - CPU(s) scaling MHz: 43% + CPU(s) scaling MHz: 59% CPU max MHz: 3200.0000 CPU min MHz: 800.0000 BogoMIPS: 4000.00 diff --git a/tests/F08B0D0E/golden.txt b/tests/F08B0D0E/golden.txt index 71c51d5385..6109277ba1 100644 --- a/tests/F08B0D0E/golden.txt +++ b/tests/F08B0D0E/golden.txt @@ -1,9 +1,9 @@ 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 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" "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, and rburn_pref > 0. " - "rburn_ta (activation temperature [K]) is optional and must be >= 0; >0 adds an Arrhenius exp(-rburn_ta/T) factor." + "(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 @@ -1585,12 +1586,21 @@ def check_reactive_burn(self): 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)") - rburn_ta = self.get("rburn_ta") - self.prohibit(self._is_numeric(rburn_ta) and rburn_ta < 0, "reactive_burn requires rburn_ta >= 0 (activation temperature [K]; 0 disables the Arrhenius factor)") + # 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(rburn_ta) and rburn_ta > 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)", + 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): diff --git a/toolchain/mfc/params/definitions.py b/toolchain/mfc/params/definitions.py index 31a97788af..8eb3002f44 100644 --- a/toolchain/mfc/params/definitions.py +++ b/toolchain/mfc/params/definitions.py @@ -632,8 +632,8 @@ def _load(): # Condensed-phase reactive burn (programmed pressure burn on the multi-fluid model) _r("reactive_burn", LOG, {"reactive_burn"}) - for n in ["rburn_k", "rburn_pign", "rburn_pref", "rburn_n", "rburn_ta"]: - _r(n, REAL, {"reactive_burn"}) + for a in ["k", "pign", "pref", "n", "ta"]: + _r(f"rburn%{a}", REAL, {"reactive_burn"}) # Acoustic _r("num_source", INT, {"acoustic"}) @@ -1194,6 +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), @@ -1286,7 +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_k", "rburn_pign", "rburn_pref", "rburn_n", "rburn_ta") +_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 a884fa88ef..989e351948 100644 --- a/toolchain/mfc/params/descriptions.py +++ b/toolchain/mfc/params/descriptions.py @@ -105,11 +105,6 @@ "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)", - "rburn_k": "Reactive-burn rate coefficient [1/s]", - "rburn_pign": "Reactive-burn ignition pressure threshold [Pa]", - "rburn_pref": "Reactive-burn reference pressure for the pressure drive [Pa]", - "rburn_n": "Reactive-burn pressure-drive exponent", - "rburn_ta": "Reactive-burn activation temperature [K] (0 = pure pressure-driven; >0 adds an Arrhenius exp(-rburn_ta/T) factor)", "mhd": "Enable magnetohydrodynamics", "hyper_cleaning": "Enable hyperbolic divergence cleaning for MHD", "hyper_cleaning_speed": "Wave speed for hyperbolic divergence cleaning", @@ -536,6 +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}"), ] @@ -572,6 +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/test/cases.py b/toolchain/mfc/test/cases.py index 5c5ef0863e..ab7e638d9a 100644 --- a/toolchain/mfc/test/cases.py +++ b/toolchain/mfc/test/cases.py @@ -2049,6 +2049,12 @@ 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", ] if path in casesToSkip: continue @@ -2329,10 +2335,10 @@ def reactive_burn_cases(): "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, + "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, @@ -2364,10 +2370,10 @@ def reactive_burn_cases(): 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 + # 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}) + 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() stack.pop() From be3915b334b926f459f50eecc1425c8ef352cc05 Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Fri, 24 Jul 2026 13:45:51 -0400 Subject: [PATCH 20/25] fix(reactive-burn): broadcast the rburn derived type to non-root ranks The rburn refactor moved the five rburn_* scalars (auto-broadcast) into a derived type, but derived-type members are not auto-broadcast -- they are hand-emitted per type in fortran_gen.py (as for chem_params/lag_params). rburn had no emitter, so on a multi-rank reactive_burn run every non-root rank kept rburn at the dflt_real sentinel: a silent wrong-physics bug the single-rank golden tests cannot catch. Adds _emit_rburn (all members REAL -> mpi_p, under the reactive_burn guard, sim target), mirroring _emit_chem_params. Verified in the regenerated generated_bcast.fpp. --- toolchain/mfc/params/generators/fortran_gen.py | 16 ++++++++++++++++ 1 file changed, 16 insertions(+) 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" From d5f2cdbadb513ab35851d628f8ab69fefb16d0fe Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Fri, 24 Jul 2026 13:57:49 -0400 Subject: [PATCH 21/25] test(reactive-burn): add a 2-rank MPI regression test for the rburn broadcast All other reactive goldens run single-rank, so a broken rburn broadcast is invisible to them. This ppn=2 variant of the detonation case burns rank 1's half of the domain with the broadcast rburn; verified to FAIL when the rburn broadcast emitter is removed and PASS with it, so it locks the fix in CI. --- tests/CB0DC420/golden-metadata.txt | 193 +++++++++++++++++++++++++++++ tests/CB0DC420/golden.txt | 48 +++++++ toolchain/mfc/test/cases.py | 6 + 3 files changed, 247 insertions(+) create mode 100644 tests/CB0DC420/golden-metadata.txt create mode 100644 tests/CB0DC420/golden.txt diff --git a/tests/CB0DC420/golden-metadata.txt b/tests/CB0DC420/golden-metadata.txt new file mode 100644 index 0000000000..f29a20c4d3 --- /dev/null +++ b/tests/CB0DC420/golden-metadata.txt @@ -0,0 +1,193 @@ +This file was created on 2026-07-24 13:52:01.407425. + +mfc.sh: + + Invocation: test --generate --only 2 ranks --no-build -j 4 + Lock: mpi=Yes & gpu=Acc & debug=No & reldebug=No & gcov=No & unified=No & single=No & mixed=No & fastmath=No + Git: be3915b334b926f459f50eecc1425c8ef352cc05 on reactive-burn-6eq (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 : 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 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0.59673281215994 0.59673281215994 0.59673281215994 0.59673281215994 0.59673281215994 0.59673281215994 \ No newline at end of file diff --git a/toolchain/mfc/test/cases.py b/toolchain/mfc/test/cases.py index ab7e638d9a..b44951eb7a 100644 --- a/toolchain/mfc/test/cases.py +++ b/toolchain/mfc/test/cases.py @@ -2376,6 +2376,12 @@ def reactive_burn_cases(): 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() From 75577f11004ccf98f79669c407916a4376cd026b Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Fri, 24 Jul 2026 14:14:22 -0400 Subject: [PATCH 22/25] test(ibm): add a golden for the Vieille's-law pressure-coupled burn rate The ibm_burning_grain/ibm_flameholder Example goldens already cover surface injection (v_blow + the inj_species composition swap), but both leave burn_rate_exp at 0, so the pressure-coupled scaling v_blow*(p/burn_rate_pref)^n shipped with no regression coverage. Registers the same example with --burn_exp 0.5 at the Example suite's 25x25/50-step size, so it differs from the existing golden only by the coupling: turning it on moves the solution by ~5e-3 relative (1.3 absolute in energy), well above the 1e-3 tolerance, so a broken multiplier fails the test. Tolerance pinned to 1e-3 to match the sibling Example golden -- compute_tolerance would otherwise pick 1e-10 via the ib branch, which a 50-step IBM + finite-rate-chemistry run cannot hold across compilers. --- tests/B317404C/golden-metadata.txt | 193 +++++++++++++++++++++++++++++ tests/B317404C/golden.txt | 30 +++++ toolchain/mfc/test/cases.py | 24 ++++ 3 files changed, 247 insertions(+) create mode 100644 tests/B317404C/golden-metadata.txt create mode 100644 tests/B317404C/golden.txt diff --git a/tests/B317404C/golden-metadata.txt b/tests/B317404C/golden-metadata.txt new file mode 100644 index 0000000000..24ac63ead9 --- /dev/null +++ b/tests/B317404C/golden-metadata.txt @@ -0,0 +1,193 @@ +This file was created on 2026-07-24 14:11:57.187310. + +mfc.sh: + + Invocation: test --generate --only Vieille Burn Rate --no-build -j 4 + Lock: mpi=Yes & gpu=Acc & debug=No & reldebug=No & gcov=No & unified=No & single=No & mixed=No & fastmath=No + Git: d5f2cdbadb513ab35851d628f8ab69fefb16d0fe 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 : + +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 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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. From 02a40ccc736cd3d2193969fd25e99257311c23c2 Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Fri, 24 Jul 2026 16:13:25 -0400 Subject: [PATCH 23/25] test: skip the 2D_hybrid_slab example golden (not portable across compilers) The diffusion flame over the fuel slab is positioned by accumulated stiff-kinetics roundoff, so by step 50 the transverse momentum drifts past the 1e-3 Example tolerance: nvhpc lanes pass, Intel and Frontier CCE disagree with the golden by ~2e-3 absolute (up to 44% relative on a small component). Same non-portability class as 1D_propellant_flame and the other flame examples already skipped there, so no single golden passes every lane. The case remains a runnable example; the reactive_burn, shock_flame, ibm_burning_grain and ibm_flameholder goldens are unaffected and pass on all lanes. --- tests/8430E4EA/golden-metadata.txt | 193 ----------------------------- tests/8430E4EA/golden.txt | 30 ----- toolchain/mfc/test/cases.py | 5 + 3 files changed, 5 insertions(+), 223 deletions(-) delete mode 100644 tests/8430E4EA/golden-metadata.txt delete mode 100644 tests/8430E4EA/golden.txt diff --git a/tests/8430E4EA/golden-metadata.txt b/tests/8430E4EA/golden-metadata.txt deleted file mode 100644 index 0e70b4667f..0000000000 --- a/tests/8430E4EA/golden-metadata.txt +++ /dev/null @@ -1,193 +0,0 @@ -This file was created on 2026-07-23 19:36:30.084440. - -mfc.sh: - - Invocation: test --generate -j 8 --only CF4FE4C9 E5B66084 85405397 8430E4EA 64F05A05 F200F862 F08B0D0E - Lock: mpi=Yes & gpu=Mp & debug=No & reldebug=No & gcov=No & unified=No & single=No & mixed=No & fastmath=No - Git: d870f3191090d6eaf7a8a68eb3b809858057b464 on 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: 50% - 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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foreach_example(): # 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 From 6af80f9366905323ae46f257448b63506d771e1d Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Fri, 24 Jul 2026 16:18:59 -0400 Subject: [PATCH 24/25] fix(ibm): initialize the burning-surface fields on particle-cloud IB patches particle_cloud_ibs is allocated without default initialization, and s_add_cloud_particle set only the geometry/motion members. s_reduce_ib_patch_array then copies the whole struct into patch_ib, overwriting the zeroed defaults from s_assign_default_values_to_user_inputs -- so v_blow, inj_species and burn_rate_exp/pref reached the solver as uninitialized memory. That was latent until this branch added the first read of those members in m_ibm: a garbage v_blow > 0 superimposes a garbage wall-normal velocity on the ghost points, which NaNs the field. It reproduced only where the allocation is not already zero-filled -- Frontier AMD failed 2D_mibm_particle_cloud with 'ICFL is NaN' at step 2 while every NVHPC lane (and local CPU/OMP/ACC) passed. Sets the four fields for the inert particle surfaces; audited that these are exactly the patch_ib members m_ibm reads (airfoil_id/model_id/length_x remain unset but are never read for circle/sphere particles). --- src/simulation/m_particle_cloud.fpp | 11 +++++++++++ 1 file changed, 11 insertions(+) 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). From 9c8ea1dc9581c99f60b6df7c2c426a7fb5ee2736 Mon Sep 17 00:00:00 2001 From: Spencer Bryngelson Date: Fri, 24 Jul 2026 18:41:20 -0400 Subject: [PATCH 25/25] docs: record the derived-type broadcast and patch_ib init traps in common-pitfalls Both bit this branch, both fail silently, and neither is visible to local testing: a derived-type param regrouping dropped its MPI broadcast (non-root ranks kept the sentinel, invisible to single-rank goldens), and an uninitialized patch_ib member reached the solver through the whole-struct copy from particle_cloud_ibs (garbage v_blow -> ICFL NaN, reproducing only on Frontier AMD where the allocation is not zero-filled). Documents the required steps and the platform-only-NaN signature. --- .claude/rules/common-pitfalls.md | 17 +++++++++++++++++ 1 file changed, 17 insertions(+) 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