From 669c922b82afa28c3cc58e532832e764049a9510 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sat, 4 Jul 2026 11:27:44 -0400 Subject: [PATCH 01/37] Add design doc for higher-order convection discretization Co-Authored-By: Claude Fable 5 --- ...-07-04-convection-discretization-design.md | 367 ++++++++++++++++++ 1 file changed, 367 insertions(+) create mode 100644 docs/superpowers/specs/2026-07-04-convection-discretization-design.md diff --git a/docs/superpowers/specs/2026-07-04-convection-discretization-design.md b/docs/superpowers/specs/2026-07-04-convection-discretization-design.md new file mode 100644 index 0000000..e2a05d2 --- /dev/null +++ b/docs/superpowers/specs/2026-07-04-convection-discretization-design.md @@ -0,0 +1,367 @@ +# Design: Higher-order convection discretization for Ember + +**Date:** 2026-07-04 +**Status:** Approved design, pending implementation +**Scope:** Convection operator (advective derivatives + continuity march), with a +conditional later phase for the diffusion operator. Conservative flux-form +rewrite (Approach C) documented as future work in the Appendix. + +## 1. Context and motivation + +Ember solves the 1D flame equations with Strang/balanced operator splitting +(`SplitSolver`), integrating convection, diffusion, and chemical source terms +separately. The spatial discretization is a legacy of fully-coupled 1D solvers, +where keeping the Jacobian tightly banded forces compact low-order stencils. +The splitting removes that constraint: the convection sub-problem is integrated +explicitly per-component (CVODE/Adams), so wider or nonlinear (limited) +stencils carry almost no structural cost. + +Current discretization: + +- **Convection** (`convectionSystem.cpp`): 1st-order upwind for all advective + derivatives (`U`, `T`, `Wmx`, each species `Y_k`); continuity (`rV`) marched + with a 1st-order rectangle rule from the anchor point `jContBC`. +- **Diffusion** (`diffusionSystem.cpp`): conservative 3-point flux-divergence + scheme, 2nd-order, tridiagonal, integrated with a custom BDF1/BDF2 solver + (Thomas algorithm). +- **Cross terms** (Soret, correction flux, enthalpy flux): 2nd-order + face-based, explicit, frozen over each split step. + +The 1st-order upwind convection is the dominant spatial error source. The grid +module's `dampVal` mechanism caps grid spacing based on the +convective/diffusive ratio specifically to suppress the numerical diffusion +this scheme generates — i.e., the current scheme forces grid refinement to +hide its own error. + +## 2. Goals and non-goals + +**Primary goal:** accuracy per grid point — obtain the same solution quality +with substantially fewer grid points by eliminating the O(h) numerical +diffusion of 1st-order upwind convection. + +**Goals:** + +- Replace 1st-order upwind advective derivatives with a limited, upwind-biased, + (mostly) 2nd-order scheme valid on the strongly nonuniform adaptive grid. +- Upgrade the continuity (`rV`) march from rectangle to trapezoidal quadrature. +- Make the scheme selectable via the config system; new scheme is the default; + legacy scheme retained bit-identical as `firstOrderUpwind`. +- Validate with grid-convergence studies covering all boundary-condition + paths: unbounded strained flame **and** twin/cylindrical flames + (ControlVolume BC, α=1 geometry, stagnation-point continuity anchor). + +**Non-goals (this phase):** + +- Diffusion operator changes — deferred to a conditional Phase 3, decided by + the Phase 2 convergence experiments. +- Conservative flux-form reformulation (Approach C) — see Appendix. +- Grid adaptation changes (`dampVal`/`dampConst` retuning is a Phase 2 + experiment, not a code change). +- Restoring/validating the quasi-2D path (known orphan; see §7). + +## 3. Numerical scheme + +### 3.1 Limited upwind advective derivative (interior nodes `j = 1..jj−1`) + +One-sided slopes at node `j`: + +``` +s⁻ = (y[j] − y[j−1]) / hh[j−1] +s⁺ = (y[j+1] − y[j]) / hh[j] +``` + +Limited node slope, **van Albada** limiter (default): + +``` +σ[j] = (s⁻ s⁺)(s⁻ + s⁺) / ((s⁻)² + (s⁺)²) if s⁻·s⁺ > 0 +σ[j] = 0 otherwise +``` + +van Albada is chosen over minmod/MC because it is smooth away from slope sign +changes, which matters because CVODE/Adams evaluates the RHS many times per +step and its step-size/order selection benefits from RHS smoothness. +(MC-limited weighted-central slope is a documented alternative if sharper +front resolution is ever needed.) + +Advective derivative by upwind-biased face reconstruction: + +``` +∂y/∂x |_j ≈ (ỹ_{j+1/2} − ỹ_{j−1/2}) / dlj[j] +``` + +with reconstructions from the upwind side of each face: + +- For `v[j] > 0`: `ỹ_{j+1/2} = y[j] + σ[j]·hh[j]/2`, + `ỹ_{j−1/2} = y[j−1] + σ[j−1]·hh[j−1]/2` +- For `v[j] < 0`: `ỹ_{j+1/2} = y[j+1] − σ[j+1]·hh[j]/2`, + `ỹ_{j−1/2} = y[j] − σ[j]·hh[j−1]/2` + +Properties (verify in unit tests): + +- 2nd-order at the node **regardless of grid nonuniformity**, given 2nd-order + slopes σ (Taylor expansion: the h² terms cancel in the face difference). +- Constant fields → derivative exactly 0. Linear fields → exact derivative + (limiter returns the exact slope when `s⁻ = s⁺`). +- Falls back to 1st-order upwind exactly where the limiter clips (extrema), + which is what boundedness of `Y ∈ [0,1]` requires. +- Stencil: 4 points (`j−2..j+1` for `v>0`, mirrored for `v<0`). + +### 3.2 Closures and special points + +- `σ[0] = σ[jj] = 0`: reconstructions at the outermost faces fall back to the + adjacent cell value (locally 1st-order, monotone). These are far-field + regions with small gradients. +- Boundary nodes `j=0` and `j=jj` are **unchanged**: ControlVolume/WallFlux + inflow balance, FixedValue/ZeroGradient suppression, and the 1st-order + one-sided outflow at `jj` all stay as-is. +- Upwind branch selection per node: `sign(rV[j])` in `ConvectionSystemUTW`, + `sign(v[j])` in `ConvectionSystemY`, exactly as today. The `j==0` forced + forward difference in the legacy loop is preserved in the legacy path. +- Stagnation point (`Zero`/`Temp` continuity BCs): no special handling beyond + the per-node branch; `|v| → 0` there so the advective term vanishes. The + `rV` linear seeding around `xVzero` is unchanged. +- Minimum grid size: scheme is well-defined for `nPoints ≥ 3`; kernel asserts. + +### 3.3 Trapezoidal continuity march + +Replace (current form, rectangle rule with face radius and left-node integrand): + +``` +rV[j+1] = rV[j] − hh[j] · rphalf[j] · (drhodt[j] + rho[j]·β·U[j]) +``` + +with the trapezoidal rule using node radii: + +``` +S[j] = drhodt[j] + rho[j]·β·U[j] +rV[j+1] = rV[j] − hh[j]/2 · (r[j]·S[j] + r[j+1]·S[j+1]) +``` + +applied consistently to the forward and backward marches from `jContBC` in all +continuity-BC branches. At the axis (α=1, `r[0]=0`) the integrand vanishes +naturally. + +The trapezoidal march is **tied to the same scheme option** as the derivative +upgrade: `firstOrderUpwind` keeps the rectangle rule so the legacy path stays +bit-identical. (Accepted trade-off: A/B comparisons bundle the derivative and +march upgrades.) + +### 3.4 Quasi-2D bug fix (behavior change) + +In `ConvectionSystemY::f()` with `quasi2d == true`, `update_v()` is never +called, so the upwind test `if (v[j] < 0)` reads **uninitialized memory** and +the upwind direction is arbitrary. The new kernel takes the advecting velocity +explicitly; the quasi-2D branch fills a node-wise velocity array from +`vrInterp` and passes it in, fixing the bug as a side effect. Quasi-2D results +may change. Per project decision, quasi-2D is an orphaned configuration: +behavior changes there are acceptable and it is not a merge blocker (§7). + +## 4. Architecture + +**Approach chosen:** shared derivative kernel ("Approach B") — one small +component used by both convection system classes. Rejected alternatives: +in-place duplicated stencils in each `f()` ("Approach A", violates DRY across +4–5 call sites); conservative flux-form framework ("Approach C", deferred — +see Appendix). + +### 4.1 New component: `ConvectionDifferencer` + +New files `src/convectionDifferencer.h` / `.cpp`: + +```cpp +class ConvectionDifferencer +{ +public: + enum class Scheme { FirstOrderUpwind, SecondOrderLimited }; + + void setScheme(Scheme s); + void resize(size_t nPoints); // sizes the σ scratch vector + + //! Advective derivative dy/dx at nodes 0..jj-1, upwind branch chosen + //! per-node from sign(v[j]). Right-boundary node handled by callers. + void computeDerivatives(const dvec& y, const dvec& v, + const OneDimGrid& grid, dvec& dydx); +}; +``` + +- `FirstOrderUpwind` path reproduces the existing loops **bit-identically**, + including the forced forward difference at `j=0`. +- `SecondOrderLimited` path: one pass to compute σ, one pass for the face + differences. `dydx[0]` is set to 0 in this path (unused by callers). +- Unit-testable in isolation against analytic functions on synthetic + nonuniform grids. + +### 4.2 Call sites + +- `ConvectionSystemUTW::f()`: three kernel calls (`U`, `T`, `Wmx`) with + velocity `rV`, replacing the inline upwind loop. Trapezoidal `rV` march + implemented in-place in `f()` (continuity logic, not a derivative), + gated on the scheme. +- `ConvectionSystemY::f()`: one kernel call with `v` (quasi-2D: node-wise + `vr` array from `vrInterp`). `ydot` assembly, BC rows, and `splitConst` + handling untouched. +- **Threading:** each `ConvectionSystemUTW` / `ConvectionSystemY` instance + owns its differencer (species systems run in parallel under TBB; per-system + scratch avoids sharing). Cost: two scratch `dvec`s per system. + +### 4.3 Config plumbing (follows `splittingMethod` pattern) + +- `python/ember/input.py`: + `General.convectionScheme = StringOption("secondOrderLimited", ("firstOrderUpwind",), level=2)` + with a docstring noting the limited scheme is 2nd-order in smooth regions + with local 1st-order fallback at extrema. +- `python/ember/_ember.pxd` / `_ember.pyx`: declare and assign the string. +- `src/readConfig.h`: `std::string convectionScheme;` member. +- `ConvectionSystemSplit::setTolerances(options)` (already receives + `ConfigOptions`, already called from `FlameSolver::initialize`) parses the + string to the enum once; `resize()` / `configureSolver()` propagate it to + `utwSystem` and each `speciesSystems[k]`. Unknown strings throw at startup. + +### 4.4 Explicitly untouched + +`DiffusionSystem`, `TridiagonalIntegrator`, `SourceSystem`, `SplitSolver`, +cross-term computation (`updateCrossTerms`), and all grid adaptation logic. + +## 5. Edge cases and risks + +| Case | Handling | +|---|---| +| Extrema / steep fronts | Limiter clips σ → local 1st-order fallback; `Y` boundedness preserved; `correctMassFractions()` remains as backstop | +| Stagnation point | Per-node upwind branch as today; term vanishes as `\|v\|→0`; `xVzero` seeding unchanged | +| `j=1` needs `σ[0]`; `j=jj−1` needs `σ[jj]` | Defined as 0 — no out-of-bounds stencil | +| Small grids (`nPoints` ≈ 4–5) | Well-defined for `nPoints ≥ 3`; kernel asserts | +| CVODE/Adams step-size behavior vs. limiter nonsmoothness | van Albada is C¹ away from sign changes; monitor `getNumSteps()` in A/B runs — step-count blowup is a pre-merge red flag | +| Regression drift | Existing Python tests anchor to physical values (Cantera equilibrium); expected to pass under new default; verify both schemes | +| Quasi-2D behavior change | Expected (bug fix §3.4); quasi-2D is an orphan configuration with no automated tests — acceptable, not a merge blocker | + +## 6. Testing and validation + +### 6.1 Unit tests (`test/test_convectionDifferencer.cpp`, gtest) + +- Exactness on constant and linear fields (both schemes). +- Observed 2nd-order convergence of `SecondOrderLimited` on smooth profiles + over randomized nonuniform grids (spacing ratios up to `uniformityTol`). +- No-new-extrema property on monotone data. +- Bit-identical match of `FirstOrderUpwind` against a copy of the legacy loop. +- Upwind-branch correctness for mixed-sign velocity fields. + +### 6.2 Regression tests + +- Existing C++ (gtest) and Python (`test/python/`) suites pass with **both** + scheme settings. + +### 6.3 Example-based baselines (pre-implementation) + +The unit test suite is known to be incomplete; the examples in +`python/ember/examples/` serve as additional regression indicators: + +1. **Before any code changes**, run a curated subset on current `main` and + record baselines (final profiles, flame speed / consumption speed, heat + release rate, run success): + `example_single`, `example_diffusion`, `example_twin`, + `example_cylindrical_outward`, `example_cylindrical_inward`, + `example_laminarFlameSpeed`. +2. After Phase 1: rerun with `firstOrderUpwind` — results must match baselines + to within run-to-run reproducibility (legacy path is bit-identical; + residual differences only from thread scheduling). +3. Rerun with `secondOrderLimited` — expect small, physically consistent + shifts; large or unphysical deviations are a red flag. + +Baseline artifacts and comparison scripts live in `test/convergence/` (shared +with §6.4) with a README documenting how to regenerate them. + +### 6.4 Grid-convergence studies (Phase 2) + +Scripted and rerunnable in `test/convergence/`: + +- **Case A:** unbounded strained premixed H₂ flame (FixedValue/ZeroGradient + BCs). +- **Case B:** twin flame (ControlVolume left BC) and/or cylindrical flame + (α=1, `rphalf` weighting) — exercises the remaining BC and geometry paths. + +Protocol: sweep grid tolerances (`vtol`, `dvtol`, `gridMax`) to produce a +resolution ladder; compare consumption speed and peak temperature vs. N for +`firstOrderUpwind` vs. `secondOrderLimited`, against a fine-grid reference. +Include a trial with relaxed `dampConst` to quantify the achievable grid +coarsening. Record CVODE step counts for both schemes. + +## 7. Phasing + +- **Phase 0 — Baselines:** run and store example baselines (§6.3) from + unmodified `main`. No code changes. +- **Phase 1 — Convection upgrade:** kernel + call-site integration + config + plumbing + unit tests + regression parity + baseline comparison. Mergeable + on its own. +- **Phase 2 — Convergence studies:** scripts + analysis (§6.4). Produces the + **decision gate for Phase 3**: does diffusion error dominate total error at + the target (coarsened) resolutions? +- **Phase 3 — Diffusion upgrade (conditional on Phase 2):** + - *(a) minimal:* harmonic-mean face diffusivity within the existing 3-point + tridiagonal structure; or + - *(b) full:* 5-point 4th-order conservative flux stencils on the nonuniform + grid + pentadiagonal extension of the BDF integrator (banded Thomas, + still O(N)). + Design details intentionally deferred until the gate is passed; only the + decision criteria are fixed now. + +## Appendix A: Future path — conservative flux-form framework (Approach C) + +Out of scope for this effort, but on the radar as a concern with the current +formulation. Recorded here so later work can pick it up. + +**Motivation.** The advective-form split operator (`∂y/∂t = −v ∂y/∂x + C`) +preserves constant fields trivially but is not discretely conservative: +species mass and enthalpy transport are not telescoping sums, so conservation +errors appear at the level of truncation error and interact with the +splitting constants. A face-flux (finite-volume) formulation would make +convection, diffusion, and the cross-term fluxes (jFick, jSoret, jCorr — +already face-based quantities in `updateCrossTerms`) share one machinery and +be conservative by construction. + +**Sketch.** + +1. **Staggered mass flux:** the continuity march already produces `rV` by + integrating between nodes; reinterpret `rV` as a *face* quantity + (`rV_{j+1/2}`), making the discrete continuity statement exact per cell: + `(rV_{j+1/2} − rV_{j−1/2}) = −dlj_j · r_j · (drhodt + ρβU)_j`. +2. **Conservative update:** evolve `ρφ` (φ ∈ {Y_k, h, ...}) as + `∂(ρφ)/∂t = −(1/r) d(rVφ̃)/dx + ...` with φ̃ the limited upwind face + reconstruction from §3.1 — the same reconstruction machinery is reused. +3. **Constant preservation:** with fluxes `rV_{j+1/2}·φ̃_{j+1/2}` and the + discrete continuity identity above, a constant φ field yields + `∂(ρφ)/∂t = φ·∂ρ/∂t` exactly — the compatibility condition that makes + conservative form safe under nonzero velocity divergence. This identity + is the key invariant to unit-test. +4. **Complications to resolve when taken up:** + - The `U` (momentum) equation has source structure (`−U²`, strain terms) + and is naturally non-conservative; it can stay in advective form. + - Splitting constants (`splitConst*`) are currently additive in `∂y/∂t`; + in conservative variables they become additive in `∂(ρφ)/∂t`, changing + how `SplitSolver` computes deltas and rebalancing terms. + - Density is not a state variable of the convection sub-problem (it is + reconstructed from `T`, `Wmx`); a conservative update of `ρφ` needs a + consistent in-step model for `ρ(t)` — likely the same `drhodt` frozen + field used by the continuity march. + - Boundary closures (ControlVolume, WallFlux) are already flux balances + and map naturally; ZeroGradient/outflow need one-sided flux closures. +5. **Suggested migration order:** species equations first (linear in φ, most + to gain from conservation), then energy, leaving `U` advective. Reuse + `ConvectionDifferencer`'s reconstruction internals by exposing the face + values `ỹ_{j±1/2}` (a natural refactor seam already anticipated by the + kernel design). + +## Appendix B: Decisions log + +| Decision | Choice | Rationale | +|---|---|---| +| Primary goal | Accuracy per grid point | Fewer points for same quality; enables coarser adaptive grids | +| Scope | Convection now; diffusion by experiment | Convection is 1st-order (dominant error); diffusion already 2nd-order | +| Scheme family | Limited 2nd-order upwind (MUSCL-type) | Bounded, robust, cheap stencil, standard for flame codes | +| Limiter | van Albada (default) | Smooth RHS for CVODE/Adams step-size control | +| Config | `convectionScheme` option; new default `secondOrderLimited`; legacy `firstOrderUpwind` retained bit-identical | A/B studies + rollback safety | +| Option naming | `secondOrderLimited` / `firstOrderUpwind` | States order up front; "Limited" flags local 1st-order clipping | +| Continuity march | Trapezoidal, tied to scheme option | 2nd-order; keeps legacy path bit-identical | +| Architecture | Shared kernel (Approach B) | DRY across UTW/species/quasi-2D call sites; unit-testable | +| Approach C | Deferred; documented in Appendix A | More than the current goal requires; concern noted for future | +| Validation | Grid convergence on strained + twin/cylindrical flames; example baselining | Covers all BC paths; compensates for incomplete unit suite | +| Quasi-2D | Bug fix accepted; behavior change acceptable | Orphan configuration, no tests, not a merge blocker | From 984b59e9b87c98db457862b61b3f5d368b97c516 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sat, 4 Jul 2026 11:37:17 -0400 Subject: [PATCH 02/37] convection: add implementation plan (phases 0-1) Co-Authored-By: Claude Fable 5 --- .../2026-07-04-convection-discretization.md | 286 ++++++++++++++++++ 1 file changed, 286 insertions(+) create mode 100644 docs/superpowers/plans/2026-07-04-convection-discretization.md diff --git a/docs/superpowers/plans/2026-07-04-convection-discretization.md b/docs/superpowers/plans/2026-07-04-convection-discretization.md new file mode 100644 index 0000000..8eb82f7 --- /dev/null +++ b/docs/superpowers/plans/2026-07-04-convection-discretization.md @@ -0,0 +1,286 @@ +# Higher-Order Convection Discretization Implementation Plan + +> **For agentic workers:** REQUIRED SUB-SKILL: Use superpowers:subagent-driven-development (recommended) or superpowers:executing-plans to implement this plan task-by-task. Steps use checkbox (`- [ ]`) syntax for tracking. + +**Goal:** Replace Ember's 1st-order upwind convection discretization with a +config-selectable, limited, (mostly) 2nd-order upwind scheme plus a +trapezoidal continuity march, validated by example baselining and +grid-convergence studies. + +**Architecture:** A new shared derivative kernel (`ConvectionDifferencer`) +used by both `ConvectionSystemUTW` and `ConvectionSystemY`; config plumbing +follows the existing `splittingMethod` pattern; legacy scheme retained +bit-identical behind `firstOrderUpwind`. See the approved spec: +`docs/superpowers/specs/2026-07-04-convection-discretization-design.md` — +**the spec is the authority for all numerical formulas (§3) and architecture +(§4). Read it before starting any task.** + +**Tech Stack:** C++17 (Eigen via `dvec`), gtest (`test/*.cpp`), Python/Cython +config bridge (`python/ember/input.py`, `_ember.pxd/.pyx`), SCons via pixi. + +## Plan style note (intentional deviation from skill defaults) + +Per project owner instruction, this plan is **deliberately high-level**: tasks +specify files, interfaces, requirements, and verification — not line-level +code. Implementing agents are expected to make code-level decisions +themselves, guided by the spec. Where the spec pins down a formula or name, +it is binding; everything else is implementer's choice following existing +codebase patterns. + +## Global constraints + +- Config option: `General.convectionScheme`, values `"secondOrderLimited"` + (default) and `"firstOrderUpwind"` (legacy). Kernel enum: + `ConvectionDifferencer::Scheme::{FirstOrderUpwind, SecondOrderLimited}`. +- `firstOrderUpwind` must reproduce current behavior **bit-identically** + (including the forced forward difference at `j=0` and the rectangle-rule + continuity march). +- Limiter: van Albada (spec §3.1). Boundary slopes `σ[0] = σ[jj] = 0`. + Trapezoidal continuity march per spec §3.3, gated on the scheme option. +- Each `ConvectionSystemUTW`/`ConvectionSystemY` instance owns its own + differencer (TBB thread safety). +- Quasi-2D: fix the uninitialized-`v` upwind bug by passing node-wise `vr` + velocities to the kernel (spec §3.4). Behavior change accepted; quasi-2D is + an orphan configuration and NOT a merge blocker. +- Untouched subsystems: `DiffusionSystem`, `TridiagonalIntegrator`, + `SourceSystem`, `SplitSolver`, `updateCrossTerms`, grid adaptation. +- Build: new `src/*.cpp` and `test/*.cpp` files are auto-globbed by SConstruct + — no build-system edits needed. Build: `pixi run build`. Tests: + `pixi run test` (runs gtest suite and Python tests). +- Commit after each task with message prefix `convection:` and the task ID, + e.g. `convection: [1.1] add ConvectionDifferencer kernel`. + +## Resumption protocol (for interrupted sessions / fresh contexts) + +1. Read the spec, then this plan. Checkboxes below track completed steps; + `git log --oneline --grep=convection:` shows completed task commits. +2. Baselines and convergence artifacts live in `test/convergence/` (created in + Task 0.1); its README documents regeneration. +3. If a task is half-done (commits exist but boxes unchecked or vice versa), + trust the git history + test results over the checkboxes, fix the + checkboxes, and continue. +4. Delegation notes per task suggest the least-capable adequate model + (Sonnet for mechanical/pattern-following work, Opus for numerics-sensitive + work). The orchestrating agent reviews all subagent output between tasks. + +--- + +## Phase 0 — Baselines (no code changes) + +### Task 0.1: Example baseline harness and capture + +**Delegation:** Sonnet (scripting; no numerics judgment needed). + +**Files:** +- Create: `test/convergence/README.md` (how to regenerate everything here) +- Create: `test/convergence/run_baselines.py` +- Create: `test/convergence/baselines/*.json` (captured outputs) + +**Interfaces:** +- Produces: `run_baselines.py --outdir test/convergence/baselines [--cases ...]` + which runs the curated example subset and writes one JSON per case + containing: case name, config summary (including scheme option once it + exists), final time, grid size N, key scalars (peak T, consumption/flame + speed where defined, integral heat release), and the final `x`, `T`, and + major-species profiles. +- Produces: `test/convergence/compare_baselines.py baselineA baselineB` + reporting relative differences in the scalars and profile L2/L∞ norms + (interpolated to a common grid), with a pass/fail threshold argument. + +**Requirements:** +- Curated cases (from spec §6.3): `example_single`, `example_diffusion`, + `example_twin`, `example_cylindrical_outward`, `example_cylindrical_inward`, + `example_laminarFlameSpeed`. +- Runtimes may be shortened (reduced `tEnd`, smaller mechanisms are already + used) as long as each case runs long enough to be a meaningful indicator; + record every deviation from the stock example config in the JSON. +- Baselines MUST be captured from the unmodified pre-implementation + code (current `main`, commit recorded in the JSON). If Phase 1 has already + landed when this runs, capture from a clean checkout of the recorded + pre-implementation commit instead. + +**Steps:** +- [ ] Write `run_baselines.py` and `compare_baselines.py` with README +- [ ] Run the six cases; verify each completes and writes plausible JSON + (no NaNs, T within physical bounds) +- [ ] Re-run one case twice to quantify run-to-run reproducibility (thread + scheduling noise); record the observed tolerance floor in the README — + this becomes the comparison threshold for Task 1.5 +- [ ] Commit artifacts: `convection: [0.1] example baseline harness + baselines` + +--- + +## Phase 1 — Convection upgrade + +### Task 1.1: `ConvectionDifferencer` kernel + unit tests + +**Delegation:** Opus (numerics-sensitive; formulas fully specified in spec §3.1–3.2). + +**Files:** +- Create: `src/convectionDifferencer.h`, `src/convectionDifferencer.cpp` +- Test: `test/test_convectionDifferencer.cpp` (gtest, follows existing + `test/test_diffusionSystem.cpp` conventions) + +**Interfaces (binding, from spec §4.1):** +```cpp +class ConvectionDifferencer { +public: + enum class Scheme { FirstOrderUpwind, SecondOrderLimited }; + void setScheme(Scheme s); + void resize(size_t nPoints); // sizes σ scratch + //! dy/dx at nodes 0..jj-1; upwind branch per-node from sign(v[j]). + //! Right-boundary node jj is handled by callers. + void computeDerivatives(const dvec& y, const dvec& v, + const OneDimGrid& grid, dvec& dydx); +}; +``` +- `FirstOrderUpwind`: bit-identical to the legacy loops in + `ConvectionSystemUTW::f()` / `ConvectionSystemY::f()` (forward difference + when `v[j] < 0 || j == 0`, else backward). +- `SecondOrderLimited`: van Albada σ pass + upwind face-reconstruction pass + per spec §3.1; `σ[0] = σ[jj] = 0`; `dydx[0] = 0` in this path; asserts + `nPoints >= 3`. + +**Test requirements (TDD — write tests first, watch them fail):** +- Exactness: constant field → identically 0; linear field → exact derivative + (both schemes, mixed-sign velocity). +- Bit-identical legacy check: `FirstOrderUpwind` vs. a copy of the legacy + loop, random data and velocities, exact equality. +- Order verification: smooth profile (e.g. tanh) on randomized nonuniform + grids with adjacent-spacing ratios up to a `uniformityTol`-like factor + (~2); observed convergence order of `SecondOrderLimited` ≥ 2 in interior + L2 norm under grid refinement. (Build small standalone `OneDimGrid` + instances; see how `test_diffusionSystem.cpp` constructs grids and call + `setSize`/`updateValues`.) +- No-new-extrema: for monotone data, reconstructed face values stay within + the data range (test via the derivative's sign structure or by exposing + face values internally — implementer's choice, but the property must be + tested). +- Upwind-branch correctness: velocity field with sign changes → derivative at + each node uses the correct side (compare against hand-computed small case). + +**Steps:** +- [ ] Write failing unit tests covering all requirements above +- [ ] Implement kernel; iterate until tests pass (`pixi run test`) +- [ ] Commit: `convection: [1.1] ConvectionDifferencer kernel + unit tests` + +### Task 1.2: Config plumbing for `convectionScheme` + +**Delegation:** Sonnet (mechanical; mirrors `splittingMethod` exactly). + +**Files:** +- Modify: `python/ember/input.py` (General options, near `splittingMethod`) +- Modify: `python/ember/_ember.pxd`, `python/ember/_ember.pyx` +- Modify: `src/readConfig.h`, `src/readConfig.cpp` + +**Interfaces:** +- Produces: `ConfigOptions::convectionScheme` (`std::string`), values + `"secondOrderLimited"` (default) / `"firstOrderUpwind"`. +- Python: `General.convectionScheme = StringOption("secondOrderLimited", + ("firstOrderUpwind",), level=2)` with docstring stating: 2nd-order in + smooth regions, local 1st-order limiter fallback at extrema; + `firstOrderUpwind` is the pre-1.7 legacy scheme. + +**Requirements:** +- Follow the `splittingMethod` pattern end-to-end (option definition → + pxd/pyx bridge → ConfigOptions member). Validation of allowed values + happens via `StringOption`'s existing machinery; C++-side parsing to the + kernel enum happens in Task 1.3 and must throw on unknown strings. + +**Steps:** +- [ ] Add option across the four plumbing layers +- [ ] Rebuild (`pixi run build`); verify `Config(General(convectionScheme= + 'firstOrderUpwind')).validate()` passes and an invalid value fails + validation (quick Python check, can be a throwaway snippet) +- [ ] Commit: `convection: [1.2] convectionScheme config option` + +### Task 1.3: Integrate kernel into `ConvectionSystemUTW` + trapezoidal march + +**Delegation:** Opus (touches continuity logic and stagnation-point branches). + +**Files:** +- Modify: `src/convectionSystem.h`, `src/convectionSystem.cpp` + (`ConvectionSystemUTW::f()`, `ConvectionSystemSplit::setTolerances()`, + `ConvectionSystemSplit::resize()`) + +**Interfaces:** +- Consumes: `ConvectionDifferencer` (Task 1.1), `ConfigOptions::convectionScheme` + (Task 1.2). +- Produces: `ConvectionSystemSplit` parses the option string to + `ConvectionDifferencer::Scheme` once in `setTolerances()` (throw + `DebugException` on unknown value) and propagates it to `utwSystem` and, + in Task 1.4, to species systems. + +**Requirements:** +- Replace the inline `dTdx/dUdx/dWdx` upwind loop with three kernel calls + using velocity `rV` for branch selection (unchanged sign convention). +- Trapezoidal `rV` march per spec §3.3, in all continuity-BC branches + (forward and backward marches), gated on `SecondOrderLimited`; + `FirstOrderUpwind` keeps the rectangle rule verbatim. +- Boundary rows (`j=0`, `j=jj`) and all `dUdt/dTdt/dWdt` assembly unchanged. +- The differencer is a member of `ConvectionSystemUTW`, resized alongside the + system. + +**Verification:** +- [ ] Full test suite passes (`pixi run test`) +- [ ] With `firstOrderUpwind`: `test/python/test_flame_configs.py` results + unchanged from pre-change behavior (spot-check one config by diffing + final T profile against a pre-change run, or rely on Task 1.5 baseline + comparison if preferred — state which was done in the commit message) +- [ ] Commit: `convection: [1.3] UTW system on ConvectionDifferencer + trapezoidal continuity` + +### Task 1.4: Integrate kernel into `ConvectionSystemY` (incl. quasi-2D fix) + +**Delegation:** Opus (quasi-2D velocity semantics need care). + +**Files:** +- Modify: `src/convectionSystem.h`, `src/convectionSystem.cpp` + (`ConvectionSystemY::f()`, `ConvectionSystemSplit::configureSolver()`) + +**Interfaces:** +- Consumes: `ConvectionDifferencer`, scheme enum from `ConvectionSystemSplit` + (Task 1.3). + +**Requirements:** +- Replace the inline per-node upwind logic with one kernel call per `f()` + evaluation; each `ConvectionSystemY` owns its differencer (TBB safety). +- Standard path: velocity = interpolated `v` (as today). +- Quasi-2D path: build a node-wise advecting-velocity array from + `vrInterp->get(x[j], t)` and pass it to the kernel — this fixes the + uninitialized-`v` upwind-direction bug (spec §3.4). The `ydot` assembly + keeps its existing quasi-2D form (`-vr * dYdx / vz`). +- Boundary rows (`j=0` inflow balance, `j=jj` outflow) unchanged. + +**Verification:** +- [ ] Full test suite passes with both scheme settings +- [ ] Commit: `convection: [1.4] species convection on ConvectionDifferencer + quasi-2D velocity fix` + +### Task 1.5: Regression + baseline comparison + +**Delegation:** Sonnet (run, compare, report; escalate anomalies). + +**Files:** +- Create: `test/convergence/baselines-phase1/*.json` (post-change runs) +- Modify: `test/convergence/README.md` (record results summary) + +**Requirements:** +- Run the Task 0.1 case set with `firstOrderUpwind`: must match Phase 0 + baselines within the reproducibility tolerance recorded in Task 0.1. +- Run with `secondOrderLimited`: expect small, physically consistent shifts + (report the deltas; no pass/fail threshold, but flag anything anomalous — + sign changes in flame speed trends, unbounded Y, NaNs, CVODE step-count + blowup vs. legacy — for review by the orchestrator/user before merge). +- Record CVODE step counts (`getNumSteps()` totals are logged when + `debugTimesteps` is on) for both schemes on at least `example_single` and + `example_twin`. + +**Steps:** +- [ ] Run both scheme settings across the case set; write comparison report + into README (tables of scalar deltas + step counts) +- [ ] Verify `firstOrderUpwind` parity; investigate/fix any mismatch before + proceeding (bit-identical expectation modulo thread noise) +- [ ] Commit: `convection: [1.5] phase-1 regression + baseline comparison` + +**Phase 1 exit criteria:** all unit + regression tests pass with both +schemes; `firstOrderUpwind` parity confirmed; `secondOrderLimited` results +reviewed with no anomalies. Phase 1 is independently mergeable here. From 5552b7d203291c1e62f4f95ca9627ae26b95d853 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sat, 4 Jul 2026 11:37:43 -0400 Subject: [PATCH 03/37] convection: add implementation plan (phases 2-3, future work) Co-Authored-By: Claude Fable 5 --- .../2026-07-04-convection-discretization.md | 86 +++++++++++++++++++ 1 file changed, 86 insertions(+) diff --git a/docs/superpowers/plans/2026-07-04-convection-discretization.md b/docs/superpowers/plans/2026-07-04-convection-discretization.md index 8eb82f7..70f4737 100644 --- a/docs/superpowers/plans/2026-07-04-convection-discretization.md +++ b/docs/superpowers/plans/2026-07-04-convection-discretization.md @@ -284,3 +284,89 @@ public: **Phase 1 exit criteria:** all unit + regression tests pass with both schemes; `firstOrderUpwind` parity confirmed; `secondOrderLimited` results reviewed with no anomalies. Phase 1 is independently mergeable here. + +--- + +## Phase 2 — Convergence studies and diffusion decision gate + +### Task 2.1: Convergence study scripts + +**Delegation:** Sonnet (scripting to a fixed protocol), Opus review of the +protocol implementation. + +**Files:** +- Create: `test/convergence/run_convergence.py` +- Modify: `test/convergence/README.md` + +**Interfaces:** +- Produces: `run_convergence.py --case {strained,twin,cylindrical} --scheme + {firstOrderUpwind,secondOrderLimited} [--damp-const X]` writing per-run + JSON (N, grid tolerances, consumption speed, peak T, CVODE step totals, + wall time) into `test/convergence/results/`. +- Produces: `plot_convergence.py` generating error-vs-N plots (reference = + finest `secondOrderLimited` run per case) for both schemes. + +**Requirements (protocol from spec §6.4):** +- Case A: unbounded strained premixed H₂ flame (base on `example_single` / + test configs; FixedValue + ZeroGradient BCs). +- Case B: twin flame (ControlVolume BC) and cylindrical flame (α=1). Both + BC paths must appear in the study; if runtime forces a choice, twin is + required, cylindrical strongly preferred. +- Resolution ladder via `vtol`/`dvtol`/`gridMax` sweeps (≥5 rungs spanning + ~4× in N); fixed strain/composition per case; steady-state termination. + +**Steps:** +- [ ] Write scripts; smoke-test one rung per case +- [ ] Commit: `convection: [2.1] convergence study scripts` + +### Task 2.2: Run studies, analyze, and decide Phase 3 + +**Delegation:** Runs by Sonnet; analysis and written findings by Opus; +**decision requires user review — do not proceed into Phase 3 without it.** + +**Files:** +- Create: `test/convergence/results/` artifacts + + `docs/superpowers/specs/2026-07-04-convection-discretization-design.md` + gets a short "Phase 2 findings" addendum section (append, don't rewrite). + +**Requirements:** +- Produce error-vs-N curves for both schemes, all cases; report observed + orders and the grid-size reduction at matched error. +- `dampConst` relaxation trial on one case with `secondOrderLimited` to + quantify additional coarsening headroom (spec §6.4). +- CVODE step-count comparison (limiter smoothness check, spec §5). +- Written recommendation on the Phase 3 gate: does diffusion error dominate + at target resolutions? Evidence: if `secondOrderLimited` error-vs-N + flattens toward 2nd-order-diffusion-limited behavior while convection + refinement no longer helps, the gate opens. + +**Steps:** +- [ ] Run full matrix; generate plots and findings addendum +- [ ] Present findings + Phase 3 recommendation to user; record decision in + the addendum +- [ ] Commit: `convection: [2.2] convergence study results + phase-3 decision` + +--- + +## Phase 3 — Diffusion upgrade (CONDITIONAL — only if Phase 2 gate opens) + +Deliberately not planned in detail (spec §7). If the gate opens: + +- Option (a) minimal: harmonic-mean face diffusivity within the existing + 3-point tridiagonal structure (`DiffusionSystem::get_A`). +- Option (b) full: 5-point 4th-order conservative flux stencils + + pentadiagonal BDF integrator (extension of `TridiagonalIntegrator`). + +**Process requirement:** run a fresh brainstorming/design pass (new spec +section or standalone spec) scoped by the Phase 2 evidence, then extend this +plan with concrete tasks. Do not improvise Phase 3 directly from this +paragraph. + +--- + +## Future work (out of scope, documented) + +Conservative flux-form framework (Approach C): see spec Appendix A. The +kernel's face-reconstruction internals are the intended reuse seam +(`ỹ_{j±1/2}` values); keep them cleanly separable when implementing Task 1.1, +but do not add speculative API surface for it (YAGNI). From 7dfc83470fd109ad1aa54fc512d8df1194796e6f Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sat, 4 Jul 2026 12:03:56 -0400 Subject: [PATCH 04/37] convection: [0.1] example baseline harness + baselines Add test/convergence/run_baselines.py and compare_baselines.py, plus captured baseline JSON for the six curated example cases (single, diffusion, twin, cylindrical outward/inward, laminarFlameSpeed) from commit 5552b7d, the pre-implementation tip of this branch. These will be diffed against the modified convection solver in later phases. --- test/convergence/README.md | 144 ++ .../baselines/example_cylindrical_inward.json | 1515 +++++++++++++ .../example_cylindrical_outward.json | 1305 +++++++++++ .../baselines/example_diffusion.json | 1927 ++++++++++++++++ .../baselines/example_laminarFlameSpeed.json | 1526 +++++++++++++ .../convergence/baselines/example_single.json | 1997 +++++++++++++++++ test/convergence/baselines/example_twin.json | 1585 +++++++++++++ test/convergence/compare_baselines.py | 146 ++ test/convergence/run_baselines.py | 351 +++ 9 files changed, 10496 insertions(+) create mode 100644 test/convergence/README.md create mode 100644 test/convergence/baselines/example_cylindrical_inward.json create mode 100644 test/convergence/baselines/example_cylindrical_outward.json create mode 100644 test/convergence/baselines/example_diffusion.json create mode 100644 test/convergence/baselines/example_laminarFlameSpeed.json create mode 100644 test/convergence/baselines/example_single.json create mode 100644 test/convergence/baselines/example_twin.json create mode 100644 test/convergence/compare_baselines.py create mode 100644 test/convergence/run_baselines.py diff --git a/test/convergence/README.md b/test/convergence/README.md new file mode 100644 index 0000000..d77bbe3 --- /dev/null +++ b/test/convergence/README.md @@ -0,0 +1,144 @@ +# Convergence / regression baselines + +This directory captures reference outputs from a curated subset of Ember's +example configurations, to be diffed against runs of the modified convection +solver later in this project (see the convection-scheme design doc and +implementation plan, Phase 1 onward). + +## Contents + +- `run_baselines.py` — runs the curated cases and writes one JSON file per + case into `baselines/`. +- `compare_baselines.py` — compares two baseline JSON files (scalars and + profile L2/L-infinity norms on a common interpolated grid) against a + pass/fail threshold. +- `baselines/*.json` — the captured baseline outputs (committed to git). + +## Curated cases + +Six cases from spec §6.3, each a faithful transcription of the corresponding +`python/ember/examples/example_*.py` script (only `Paths.outputDir`/`logFile` +are redirected into a scratch directory — no physics changes): + +- `example_single` +- `example_diffusion` +- `example_twin` +- `example_cylindrical_outward` +- `example_cylindrical_inward` +- `example_laminarFlameSpeed` + +No case needed its `tEnd`/tolerance shortened relative to the stock example: +each one's own early-termination criterion (steady heat-release or dT/dt +threshold) kicks in well before its stock `tEnd` cap, so wall-clock time per +case is already small (8-50 s; ~2.3 minutes for all six). Any future +deviation from a stock example configuration must be recorded both in the +case-builder function in `run_baselines.py` and in that case's +`deviations_from_stock` JSON field. + +## Provenance + +Baselines in this repository were captured from commit +`5552b7d203291c1e62f4f95ca9627ae26b95d853` (tip of `convection-scheme` at the +time Task 0.1 ran), which at that point contained only planning docs — no +solver code changes — so it stands in for "unmodified pre-implementation +code." Each JSON's `commit` field records the exact commit this rule applies +to (with a `-dirty` suffix if tracked files differed from that commit; +untracked scratch files are ignored). If Phase 1 has already landed on this +branch by the time you need a fresh Phase-0-equivalent baseline, regenerate +from a clean checkout of that same recorded commit instead of `HEAD`. + +## Regenerating + +``` +pixi run python test/convergence/run_baselines.py \ + --outdir test/convergence/baselines \ + [--cases example_single example_diffusion ...] \ + [--workdir build/test/baselines-work] \ + [--retries 3] +``` + +Run from the repository root. `--workdir` is scratch space for Ember's own +HDF5/log output (gitignored under `build/`); only the summarized JSON in +`--outdir` is meant to be committed. + +Note: with the stock `nThreads` values (2 or 4 depending on case), the +solver occasionally (rarely) aborts mid-run with `CVODE Integrator had too +many errors` — this was observed once in roughly a handful of attempts on +`example_single`, and is apparently a manifestation of the thread-scheduling +nondeterminism referenced in the task brief, not something introduced by +this harness. `run_baselines.py` retries a failed case up to `--retries` +times (default 3) before giving up; each JSON records how many attempts it +took in its `attempts` field. + +## Comparing two baselines + +``` +pixi run python test/convergence/compare_baselines.py \ + test/convergence/baselines/example_single.json \ + /path/to/other/example_single.json \ + --threshold 0.02 +``` + +Prints relative differences for each scalar and normalized L2/L-infinity +norms for each profile (T and each captured major species, linearly +interpolated onto a shared grid spanning the overlap of the two x-domains). +Exits 0 if every relative difference/norm is at or below `--threshold`, 1 +otherwise — usable as a scripted pass/fail gate (e.g. for Task 1.5). + +## Reproducibility floor (thread-scheduling noise) + +Per the task brief, one case (`example_single`, the case that uses the +stock `nThreads=4` and happened to exhibit the CVODE failure above) was run +three times from the same commit/config and compared pairwise with +`compare_baselines.py`: + +| Comparison | worst relative scalar diff | worst profile L2 | worst profile L-inf | +|-------------------------|----------------------------|-------------------|----------------------| +| run1 vs run2 | 5.2e-7 (heat release) | 1.4e-7 (Y_OH) | 6.7e-7 (Y_CO) | +| run1 vs run3 | 2.5e-7 (heat release) | 2.3e-7 (Y_OH) | 1.4e-6 (Y_OH) | +| run2 vs run3 | 7.7e-7 (heat release) | 1.6e-7 (Y_O) | 1.3e-6 (Y_O) | + +All three runs used identical configuration and commit; the ~1e-6-level +differences are consistent with ordinary floating-point summation-order +noise from multi-threaded execution, not a meaningful physical difference. + +**Observed tolerance floor: ~1e-6 relative (scalars and profile norms).** +Any Phase 1 comparison should treat differences at or below roughly 1e-5 as +run-to-run noise, not evidence of a behavior change. The `compare_baselines.py` +default threshold (`0.02`, i.e. 2%) is set well above this floor, with large +margin to also tolerate small, legitimate discretization differences from a +new convection scheme while still catching real regressions. **The other, +more significant reproducibility caveat is qualitative, not quantitative:** +under the stock multi-threaded configuration, a run can occasionally fail +outright (CVODE integrator error) rather than produce a slightly different +answer. Task 1.5 tooling should be prepared to retry a failed run rather +than treat a crash as a silent baseline mismatch. + +## JSON schema + +Each `baselines/.json` contains: + +- `case` — example name +- `commit` — git commit SHA the run was captured from (see Provenance above) +- `generated_at_utc` — capture timestamp +- `config_summary` — `Config.stringify()` text of the full effective configuration +- `deviations_from_stock` — list of human-readable notes on anything that + differs from running the stock example script directly +- `scheme` — convection discretization scheme option; `null` at this commit + because that option does not exist yet (Phase 0). Once Phase 1 adds a + `scheme` option to `General`, this field should be populated. +- `attempts` — number of attempts `run_baselines.py` needed for this case (see above) +- `runtime_seconds` — wall-clock time for the successful attempt +- `final_time` — solver's `tNow` at termination +- `grid_size` — number of grid points at termination +- `scalars` — `peak_T`, `consumption_speed`, `heat_release_rate_integral`, `flame_position` + (any scalar that isn't physically meaningful for that case's geometry is `null`; + see `scalar_notes` for why) +- `scalar_notes` — explanations for any `null`/discarded scalar (e.g. + `consumption_speed` is ill-defined whenever the domain's two boundary + temperatures are nearly equal, which happens for `example_single`, a + premixed flame opposed by a cold inert at the same temperature as the + reactants, and for `example_diffusion`, whose fuel and oxidizer streams + are both preheated to the same temperature) +- `profiles` — final `x`, `T`, and mass-fraction profiles for up to 8 "major" + species (peak mass fraction >= 1e-3 over the profile, most-abundant first) diff --git a/test/convergence/baselines/example_cylindrical_inward.json b/test/convergence/baselines/example_cylindrical_inward.json new file mode 100644 index 0000000..337423a --- /dev/null +++ b/test/convergence/baselines/example_cylindrical_inward.json @@ -0,0 +1,1515 @@ +{ + "case": "example_cylindrical_inward", + "commit": "5552b7d203291c1e62f4f95ca9627ae26b95d853", + "generated_at_utc": "2026-07-04T15:58:53.634979+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/baselines-work/ex_cylindrical_inward.log',\n outputDir='build/test/baselines-work/ex_cylindrical_inward'),\n General(fixedLeftLocation=True,\n flameGeometry='cylindrical',\n nThreads=4),\n InitialCondition(equivalenceRatio=0.6,\n fuel='CH4:0.5, H2:0.5',\n xLeft=0.0,\n xRight=0.006),\n StrainParameters(final=200,\n initial=200),\n PositionControl(xFinal=0.002,\n xInitial=0.002),\n Times(profileStepInterval=10,\n regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=10))\n", + "deviations_from_stock": [ + "Paths.outputDir/logFile redirected into scratch --outdir (no effect on physics)" + ], + "scheme": null, + "runtime_seconds": 16.867476224899292, + "final_time": 0.013999999999999766, + "grid_size": 147, + "scalars": { + "peak_T": 1711.357391013641, + "consumption_speed": 0.17712073530963188, + "heat_release_rate_integral": 366615.0857406217, + "flame_position": 0.0020308147991701018 + }, + "scalar_notes": {}, + "profiles": { + "x": [ + 0.0, + 0.00012121212121212121, + 0.00024242424242424242, + 0.0003636363636363636, + 0.00048484848484848484, + 0.0006060606060606061, + 0.0007272727272727272, + 0.0008484848484848485, + 0.0009696969696969697, + 0.0010303030303030303, + 0.001090909090909091, + 0.0011515151515151516, + 0.0011818181818181819, + 0.0012121212121212121, + 0.0012424242424242424, + 0.0012878787878787877, + 0.0013106060606060605, + 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b/test/convergence/baselines/example_cylindrical_outward.json new file mode 100644 index 0000000..2725b57 --- /dev/null +++ b/test/convergence/baselines/example_cylindrical_outward.json @@ -0,0 +1,1305 @@ +{ + "case": "example_cylindrical_outward", + "commit": "5552b7d203291c1e62f4f95ca9627ae26b95d853", + "generated_at_utc": "2026-07-04T15:59:01.908955+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/baselines-work/ex_cylindrical_outward.log',\n outputDir='build/test/baselines-work/ex_cylindrical_outward'),\n General(fixedLeftLocation=True,\n flameGeometry='cylindrical',\n nThreads=4,\n unburnedLeft=False),\n InitialCondition(equivalenceRatio=0.6,\n fuel='CH4:0.5, H2:0.5',\n xLeft=0.0,\n xRight=0.005),\n StrainParameters(final=500,\n initial=500),\n Times(profileStepInterval=10,\n regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=10))\n", + "deviations_from_stock": [ + "Paths.outputDir/logFile redirected into scratch --outdir (no effect on physics)" + ], + "scheme": null, + "runtime_seconds": 8.238712787628174, + "final_time": 0.008599999999999986, + "grid_size": 126, + "scalars": { + "peak_T": 1783.4988622965786, + "consumption_speed": 0.22671585935762548, + "heat_release_rate_integral": 500400.8692698996, + "flame_position": 0.0020174712558832723 + }, + "scalar_notes": {}, + "profiles": { + "x": [ + 0.0, + 5.0505050505050505e-05, + 0.00015151515151515152, + 0.0002525252525252525, + 0.00035353535353535354, + 0.00045454545454545455, + 0.0005555555555555556, + 0.0006565656565656566, + 0.0007575757575757576, + 0.0008585858585858586, + 0.0009595959595959596, + 0.0010606060606060605, + 0.0011616161616161617, + 0.0012626262626262625, + 0.0013636363636363637, + 0.0014646464646464645, + 0.0015656565656565658, + 0.0016666666666666666, + 0.0017171717171717172, + 0.0017676767676767678, + 0.0018181818181818182, + 0.0018686868686868686, + 0.0019191919191919192, + 0.0019444444444444444, + 0.00196969696969697, + 0.001994949494949495, 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Paths(logFile='build/test/baselines-work/ex_diffusion.log',\n outputDir='build/test/baselines-work/ex_diffusion'),\n General(nThreads=2),\n InitialCondition(Tfuel=600,\n Toxidizer=600,\n centerWidth=0.002,\n flameType='diffusion',\n fuel='CH4:1.0, N2:2.0',\n slopeWidth=0.001,\n xLeft=-0.004,\n xRight=0.004),\n StrainParameters(final=100,\n initial=100),\n Times(globalTimestep=1e-05,\n profileStepInterval=20),\n TerminationCondition(tEnd=0.01))\n", + "deviations_from_stock": [ + "Paths.outputDir/logFile redirected into scratch --outdir (no effect on physics)" + ], + "scheme": null, + "runtime_seconds": 21.06638193130493, + "final_time": 0.01000999999999976, + "grid_size": 188, + "scalars": { + "peak_T": 1983.3479325922094, + "consumption_speed": null, + "heat_release_rate_integral": 183690.0998617048, + "flame_position": 0.00029488935922012885 + }, + "scalar_notes": { + "consumption_speed": "Not physically meaningful for this configuration: the domain boundary temperatures are nearly equal (T[0]=600.00 K, T[-1]=600.00 K), so the premixed consumption-speed formula Q/cp integral / (rho_u*(Tb-Tu)) has a near-zero denominator. Raw solver value (inf) discarded and replaced with null." + }, + "profiles": { + "x": [ + -0.008138597379913997, + -0.007948207039898349, + -0.00782779361610968, + -0.007707380192321011, + -0.007555067920308493, + -0.0074027556482959755, + -0.007210094170234106, + -0.007088244352624092, + -0.006966394535014077, + -0.006812265352564581, + -0.0066581361701150855, + -0.006463176461939063, + -0.006339873115979467, + -0.00621656977001987, + -0.006060602003479052, + -0.005904634236938234, + -0.0057073488834028805, + -0.0055825746701702265, + -0.0054578004569375725, + -0.0052999721741092895, + -0.0051421438912810065, + -0.00494250515010876, + -0.004742866408936513, + -0.004616603782673886, + -0.00449034115641126, + -0.0043306301634734624, + -0.004170919170535666, + -0.004011208177597869, + -0.0038514971846600717, + -0.0037504870836499705, + -0.0036494769826398692, + -0.0035484668816297684, + -0.003447456780619667, + -0.00331968798626943, + -0.003191919191919192, + -0.0030303030303030303, + 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"5552b7d203291c1e62f4f95ca9627ae26b95d853", + "generated_at_utc": "2026-07-04T15:59:53.541184+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/baselines-work/ex_lfs.log',\n outputDir='build/test/baselines-work/ex_lfs'),\n General(fixedBurnedVal=False,\n fixedLeftLocation=True,\n nThreads=4),\n Grid(dvtol=0.15,\n gridMax=0.001,\n gridMin=5e-06,\n vtol=0.1),\n InitialCondition(equivalenceRatio=0.9,\n oxidizer='O2:1, N2:3.76',\n xLeft=0.0,\n xRight=0.01),\n StrainParameters(final=0,\n initial=0),\n PositionControl(proportionalGain=2000,\n xFinal=0.005,\n xInitial=0.005),\n Times(profileStepInterval=50),\n TerminationCondition(tolerance=1e-05))\n", + "deviations_from_stock": [ + "Paths.outputDir/logFile redirected into scratch --outdir (no effect on physics)", + "Note (inherited from stock example, not introduced here): conf.validate() prints \"PositionControl can only be used when either 'twinFlame' or 'cylindricalFlame' is set to True. Validation failed.\" This example configures PositionControl on a planar, non-twin flame; the stock example script has this same validation warning and still runs it. Non-fatal; run proceeds." + ], + "scheme": null, + "runtime_seconds": 30.51374578475952, + "final_time": 0.014999999999999725, + "grid_size": 148, + "scalars": { + "peak_T": 2136.2751942034624, + "consumption_speed": 0.3194129954542201, + "heat_release_rate_integral": 942559.1259877904, + "flame_position": 0.004999748994300841 + }, + "scalar_notes": {}, + "profiles": { + "x": [ + 0.0, + 0.0008080808080808081, + 0.0016161616161616162, + 0.0024242424242424242, + 0.0028282828282828283, + 0.0032323232323232323, + 0.0034343434343434343, + 0.0036363636363636364, + 0.003737373737373737, + 0.0038383838383838384, + 0.0038888888888888888, + 0.00393939393939394, + 0.00398989898989899, + 0.00404040404040404, + 0.004065656565656566, + 0.004090909090909091, + 0.004116161616161617, + 0.004141414141414141, + 0.004154040404040403, + 0.004166666666666666, + 0.0041792929292929284, + 0.004191919191919191, + 0.004204545454545454, + 0.004217171717171717, + 0.004229797979797979, + 0.004242424242424242, + 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Paths(logFile='build/test/baselines-work/ex_single.log',\n outputDir='build/test/baselines-work/ex_single'),\n General(flameGeometry='disc',\n nThreads=4),\n InitialCondition(Tcounterflow=300.0,\n centerWidth=0.005,\n counterflow='N2:1.0',\n equivalenceRatio=1.0,\n slopeWidth=0.001,\n xLeft=-0.01,\n xRight=0.01),\n StrainParameters(final=300.0,\n initial=300.0))\n", + "deviations_from_stock": [ + "Paths.outputDir/logFile redirected into scratch --outdir (no effect on physics)" + ], + "scheme": null, + "runtime_seconds": 48.56007790565491, + "final_time": 0.01439999999999975, + "grid_size": 195, + "scalars": { + "peak_T": 2111.996608670567, + "consumption_speed": null, + "heat_release_rate_integral": 1002911.4012131758, + "flame_position": 0.00039069286729683775 + }, + "scalar_notes": { + "consumption_speed": "Not physically meaningful for this configuration: the domain boundary temperatures are nearly equal (T[0]=300.00 K, T[-1]=300.00 K), so the premixed consumption-speed formula Q/cp integral / (rho_u*(Tb-Tu)) has a near-zero denominator. Raw solver value (271872315412356.44) discarded and replaced with null." + }, + "profiles": { + "x": [ + -0.002121212121212121, + -0.00202020202020202, + -0.0019065656565656567, + -0.0017929292929292934, + -0.0016982323232323238, + -0.0015782828282828293, + -0.0014772727272727281, + -0.0013257575757575756, + -0.0012499999999999998, + -0.0010858585858585861, + -0.0009406565656565663, + -0.0008333333333333335, + -0.0007260101010101005, + -0.0006249999999999995, + -0.0005176767676767674, + -0.00046717171717171704, + -0.00041666666666666664, + -0.00036616161616161624, + -0.00034090909090909104, + -0.00031565656565656585, + -0.00030303030303030325, + -0.00029040404040404065, + -0.00027777777777777805, + -0.00026515151515151545, + -0.00025252525252525285, + -0.00024621212121212155, + -0.00023989898989899025, + -0.00023358585858585895, + -0.00022727272727272765, + -0.00022095959595959635, + -0.00021464646464646505, + -0.00020833333333333375, + -0.00020202020202020245, + 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}, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/baselines/example_twin.json b/test/convergence/baselines/example_twin.json new file mode 100644 index 0000000..afe36e0 --- /dev/null +++ b/test/convergence/baselines/example_twin.json @@ -0,0 +1,1585 @@ +{ + "case": "example_twin", + "commit": "5552b7d203291c1e62f4f95ca9627ae26b95d853", + "generated_at_utc": "2026-07-04T16:00:56.916569+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/baselines-work/ex_twin.log',\n outputDir='build/test/baselines-work/ex_twin'),\n General(nThreads=4,\n twinFlame=True,\n unburnedLeft=False),\n InitialCondition(equivalenceRatio=0.7,\n xLeft=0.0,\n xRight=0.01),\n StrainParameters(final=100,\n initial=100),\n TerminationCondition(tEnd=10))\n", + "deviations_from_stock": [ + "Paths.outputDir/logFile redirected into scratch --outdir (no effect on physics)" + ], + "scheme": null, + "runtime_seconds": 14.76136326789856, + "final_time": 0.008799999999999978, + 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8.320799311193512e-16, + 2.632660412029161e-16, + 4.38254012787825e-17, + 1.6197144014723865e-43 + ] + } + }, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/compare_baselines.py b/test/convergence/compare_baselines.py new file mode 100644 index 0000000..b814260 --- /dev/null +++ b/test/convergence/compare_baselines.py @@ -0,0 +1,146 @@ +#!/usr/bin/env python +""" +Compare two baseline JSON files produced by run_baselines.py, reporting +relative differences in the captured scalars and L2/L-infinity norms of the +profile differences (T and major species, interpolated to a common grid). + +Usage: + pixi run python test/convergence/compare_baselines.py \\ + test/convergence/baselines/example_single.json \\ + test/convergence/baselines/example_single_run2.json \\ + [--threshold 0.02] + +Exits with status 0 if every relative difference is within --threshold, +and status 1 otherwise (so this can be used as a pass/fail gate in later +tasks, e.g. Task 1.5 comparing the new convection scheme against these +Phase-0 baselines). +""" + +import argparse +import json +import sys + +import numpy as np + + +def load(path): + with open(path) as f: + return json.load(f) + + +def relative_diff(a, b): + """Relative difference of two scalars, robust to values near zero.""" + if a is None or b is None: + return None + scale = max(abs(a), abs(b), 1e-300) + return abs(a - b) / scale + + +def compare_scalars(a, b): + rows = [] + keys = sorted(set(a['scalars']) | set(b['scalars'])) + for key in keys: + va = a['scalars'].get(key) + vb = b['scalars'].get(key) + rows.append((key, va, vb, relative_diff(va, vb))) + return rows + + +def interpolate_to_common_grid(xa, ya, xb, yb, n=1000): + """Interpolate two profiles (xa,ya) and (xb,yb) onto a shared uniform + grid spanning the overlap of their domains.""" + xa = np.asarray(xa) + ya = np.asarray(ya) + xb = np.asarray(xb) + yb = np.asarray(yb) + + lo = max(xa.min(), xb.min()) + hi = min(xa.max(), xb.max()) + if hi <= lo: + raise ValueError('Profiles do not overlap in x') + + grid = np.linspace(lo, hi, n) + ia = np.interp(grid, xa, ya) + ib = np.interp(grid, xb, yb) + return ia, ib + + +def profile_norms(xa, ya, xb, yb): + ia, ib = interpolate_to_common_grid(xa, ya, xb, yb) + diff = ia - ib + scale = max(np.max(np.abs(ia)), np.max(np.abs(ib)), 1e-300) + l2 = np.sqrt(np.mean(diff**2)) / scale + linf = np.max(np.abs(diff)) / scale + return l2, linf + + +def compare_profiles(a, b): + rows = [] + xa, xb = a['profiles']['x'], b['profiles']['x'] + + l2, linf = profile_norms(xa, a['profiles']['T'], xb, b['profiles']['T']) + rows.append(('T', l2, linf)) + + species = sorted(set(a['profiles']['species']) & set(b['profiles']['species'])) + for sp in species: + l2, linf = profile_norms(xa, a['profiles']['species'][sp], + xb, b['profiles']['species'][sp]) + rows.append(('Y_' + sp, l2, linf)) + + only_a = sorted(set(a['profiles']['species']) - set(b['profiles']['species'])) + only_b = sorted(set(b['profiles']['species']) - set(a['profiles']['species'])) + return rows, only_a, only_b + + +def main(): + parser = argparse.ArgumentParser(description=__doc__, + formatter_class=argparse.RawDescriptionHelpFormatter) + parser.add_argument('baselineA') + parser.add_argument('baselineB') + parser.add_argument('--threshold', type=float, default=0.02, + help='Relative-difference pass/fail threshold, applied to ' + 'both scalars and normalized profile norms (default: 0.02)') + args = parser.parse_args() + + a = load(args.baselineA) + b = load(args.baselineB) + + print('Comparing:') + print(' A: %s (case=%s, commit=%s)' % (args.baselineA, a.get('case'), a.get('commit'))) + print(' B: %s (case=%s, commit=%s)' % (args.baselineB, b.get('case'), b.get('commit'))) + if a.get('case') != b.get('case'): + print('WARNING: comparing different cases (%r vs %r)' % (a.get('case'), b.get('case'))) + print() + + worst = 0.0 + + print('Scalars (name: A, B, relative diff):') + for key, va, vb, rel in compare_scalars(a, b): + if rel is None: + print(' %-28s %r vs %r (skipped: null value)' % (key, va, vb)) + continue + worst = max(worst, rel) + flag = '' if rel <= args.threshold else ' <-- EXCEEDS THRESHOLD' + print(' %-28s %.6g vs %.6g rel_diff=%.4g%s' % (key, va, vb, rel, flag)) + print() + + print('Profiles (normalized L2 / Linf norms of the difference, common grid):') + rows, only_a, only_b = compare_profiles(a, b) + for name, l2, linf in rows: + worst = max(worst, l2, linf) + flag = '' if max(l2, linf) <= args.threshold else ' <-- EXCEEDS THRESHOLD' + print(' %-28s L2=%.4g Linf=%.4g%s' % (name, l2, linf, flag)) + if only_a: + print(' Species only in A (not compared): %s' % ', '.join(only_a)) + if only_b: + print(' Species only in B (not compared): %s' % ', '.join(only_b)) + print() + + passed = worst <= args.threshold + print('Result: %s (worst relative difference/norm = %.4g, threshold = %.4g)' + % ('PASS' if passed else 'FAIL', worst, args.threshold)) + sys.exit(0 if passed else 1) + + +if __name__ == '__main__': + main() diff --git a/test/convergence/run_baselines.py b/test/convergence/run_baselines.py new file mode 100644 index 0000000..249c6d3 --- /dev/null +++ b/test/convergence/run_baselines.py @@ -0,0 +1,351 @@ +#!/usr/bin/env python +""" +Capture baseline outputs from a curated subset of Ember's example +configurations, for later regression comparison against the modified +convection solver (see the convection-scheme design doc / implementation +plan, Phase 0-1). + +Each case below is a faithful transcription of the corresponding +``python/ember/examples/example_*.py`` script, with only the output +paths redirected into a scratch directory (``--outdir``). Any other +deviation from the stock example configuration is recorded per-case in +the ``deviations_from_stock`` list and written into the output JSON. + +Usage: + pixi run python test/convergence/run_baselines.py \\ + --outdir test/convergence/baselines \\ + [--cases example_single example_diffusion ...] + +See test/convergence/README.md for details on regenerating baselines +and on the run-to-run reproducibility tolerance floor. +""" + +import argparse +import datetime +import json +import os +import subprocess +import sys +import time + +import numpy as np + +REPO_ROOT = os.path.abspath(os.path.join(os.path.dirname(__file__), '..', '..')) +sys.path.insert(0, os.path.join(REPO_ROOT, 'python')) + +from ember import (Config, Paths, General, Chemistry, Grid, InitialCondition, + StrainParameters, PositionControl, Times, + TerminationCondition) + +# Minimum peak mass fraction for a species to be considered "major" and +# included in the captured profiles. +MAJOR_SPECIES_MIN_Y = 1e-3 +# Upper bound on the number of major species profiles captured, so JSON +# files stay a reasonable size regardless of mechanism size. +MAJOR_SPECIES_MAX_COUNT = 8 + + +def git_commit(): + """Return 'sha' or 'sha-dirty' for the current checkout, or None. + + "Dirty" only reflects changes to tracked files (--untracked-files=no): + untracked scratch/lock files in the working tree don't affect what code + actually ran, so they shouldn't taint the recorded commit identity. + """ + try: + sha = subprocess.check_output( + ['git', 'rev-parse', 'HEAD'], cwd=REPO_ROOT).decode().strip() + status = subprocess.check_output( + ['git', 'status', '--porcelain', '--untracked-files=no'], + cwd=REPO_ROOT).decode().strip() + return sha + ('-dirty' if status else '') + except Exception: + return None + + +# --------------------------------------------------------------------------- +# Case definitions. Each function builds a Config object equivalent to the +# stock example (see the docstring/comment for the source file) and returns +# (conf, deviations) where deviations is a list of human-readable strings +# describing any difference from the stock example configuration (other than +# the output path redirection, which is common to all cases and noted once). +# --------------------------------------------------------------------------- + +def case_single(work_dir): + # Source: python/ember/examples/example_single.py + output = os.path.join(work_dir, 'ex_single') + conf = Config( + Paths(outputDir=output, logFile=output + '.log'), + General(twinFlame=False, flameGeometry='disc', nThreads=4), + InitialCondition(fuel='CH4:1.0', + oxidizer='N2:3.76, O2:1.0', + equivalenceRatio=1.0, + counterflow='N2:1.0', + Tcounterflow=300.0, + xLeft=-0.01, + xRight=0.01, + centerWidth=0.005, + slopeWidth=0.001), + StrainParameters(initial=300.0, final=300.0), + ) + return conf, [] + + +def case_diffusion(work_dir): + # Source: python/ember/examples/example_diffusion.py + output = os.path.join(work_dir, 'ex_diffusion') + conf = Config( + Paths(outputDir=output, logFile=output + '.log'), + InitialCondition(flameType='diffusion', + fuel='CH4:1.0, N2:2.0', + oxidizer='N2:3.76, O2:1.0', + Tfuel=600, + Toxidizer=600, + xLeft=-0.004, + xRight=0.004, + centerWidth=0.002, + slopeWidth=0.001), + StrainParameters(initial=100, final=100), + General(nThreads=2), + Times(globalTimestep=1e-5, profileStepInterval=20), + TerminationCondition(tEnd=0.010)) + return conf, [] + + +def case_twin(work_dir): + # Source: python/ember/examples/example_twin.py + output = os.path.join(work_dir, 'ex_twin') + conf = Config( + Paths(outputDir=output, logFile=output + '.log'), + General(twinFlame=True, unburnedLeft=False, nThreads=4), + InitialCondition(fuel='CH4:1.0', + equivalenceRatio=0.70, + xLeft=0.0, + xRight=0.01), + StrainParameters(initial=100, final=100), + TerminationCondition(tEnd=10)) + return conf, [] + + +def case_cylindrical_outward(work_dir): + # Source: python/ember/examples/example_cylindrical_outward.py + output = os.path.join(work_dir, 'ex_cylindrical_outward') + conf = Config( + Paths(outputDir=output, logFile=output + '.log'), + Chemistry(mechanismFile='gri30.yaml'), + General(flameGeometry='cylindrical', + unburnedLeft=False, + fixedLeftLocation=True, + nThreads=4), + InitialCondition(fuel='CH4:0.5, H2:0.5', + equivalenceRatio=0.60, + xLeft=0.0, + xRight=0.005), + StrainParameters(initial=500, final=500), + TerminationCondition(tEnd=10, measurement='dTdt'), + Times(profileStepInterval=10, regridStepInterval=10), + ) + return conf, [] + + +def case_cylindrical_inward(work_dir): + # Source: python/ember/examples/example_cylindrical_inward.py + output = os.path.join(work_dir, 'ex_cylindrical_inward') + conf = Config( + Paths(outputDir=output, logFile=output + '.log'), + Chemistry(mechanismFile='gri30.yaml'), + General(flameGeometry='cylindrical', + unburnedLeft=True, + fixedLeftLocation=True, + nThreads=4), + InitialCondition(fuel='CH4:0.5, H2:0.5', + equivalenceRatio=0.60, + xLeft=0.0, + xRight=0.006), + StrainParameters(initial=200, final=200), + PositionControl(xInitial=0.002, xFinal=0.002), + TerminationCondition(tEnd=10, measurement='dTdt'), + Times(profileStepInterval=10, regridStepInterval=10), + ) + return conf, [] + + +def case_laminar_flame_speed(work_dir): + # Source: python/ember/examples/example_laminarFlameSpeed.py + output = os.path.join(work_dir, 'ex_lfs') + conf = Config( + Paths(outputDir=output, logFile=output + '.log'), + InitialCondition(fuel='CH4:1.0', + oxidizer='O2:1, N2:3.76', + equivalenceRatio=0.9, + xLeft=0.0, + xRight=0.01), + StrainParameters(initial=0, final=0), + General(fixedLeftLocation=True, fixedBurnedVal=False, nThreads=4), + Grid(vtol=0.1, dvtol=0.15, gridMin=5e-6, gridMax=0.001), + PositionControl(proportionalGain=2000, xInitial=0.005, xFinal=0.005), + TerminationCondition(tolerance=1e-5), + Times(profileStepInterval=50)) + deviations = [ + 'Note (inherited from stock example, not introduced here): ' + 'conf.validate() prints "PositionControl can only be used when ' + 'either \'twinFlame\' or \'cylindricalFlame\' is set to True. ' + 'Validation failed." This example configures PositionControl on a ' + 'planar, non-twin flame; the stock example script has this same ' + 'validation warning and still runs it. Non-fatal; run proceeds.', + ] + return conf, deviations + + +CASES = { + 'example_single': case_single, + 'example_diffusion': case_diffusion, + 'example_twin': case_twin, + 'example_cylindrical_outward': case_cylindrical_outward, + 'example_cylindrical_inward': case_cylindrical_inward, + 'example_laminarFlameSpeed': case_laminar_flame_speed, +} + + +def select_major_species(species_names, Y): + """Return the names of up to MAJOR_SPECIES_MAX_COUNT species whose peak + mass fraction (over the final profile) is at least MAJOR_SPECIES_MIN_Y, + ordered from most to least abundant.""" + peak = Y.max(axis=1) + order = np.argsort(peak)[::-1] + selected = [i for i in order if peak[i] >= MAJOR_SPECIES_MIN_Y] + selected = selected[:MAJOR_SPECIES_MAX_COUNT] + return [species_names[i] for i in selected] + + +def run_case(name, work_dir): + build_fn = CASES[name] + conf, deviations = build_fn(work_dir) + deviations = (['Paths.outputDir/logFile redirected into scratch --outdir ' + '(no effect on physics)'] + deviations) + + conf.validate() + concrete = conf.evaluate() + + t0 = time.time() + solver = concrete.run() + runtime = time.time() - t0 + + species_names = list(concrete.gas.species_names) + T = np.asarray(solver.T) + x = np.asarray(solver.x) + Y = np.asarray(solver.Y) + + major = select_major_species(species_names, Y) + species_profiles = {sp: Y[species_names.index(sp)].tolist() for sp in major} + + peak_T = float(np.max(T)) + if not np.all(np.isfinite(T)) or not np.all(np.isfinite(Y)): + raise RuntimeError('Non-finite values encountered in T or Y for case %r' % name) + + def scalar_or_none(value): + value = float(value) + return value if np.isfinite(value) else None + + # The consumption-speed formula (Q/cp integral, normalized by + # rhou*(Tb - Tu)) is ill-conditioned when the two domain-boundary + # temperatures are nearly equal (e.g. a flame sandwiched between two + # comparably-cold/comparably-warm streams, as in a counterflow + # diffusion flame or a premixed flame opposed by a cold inert of the + # same temperature as the reactants). That near-zero denominator can + # produce NaN/inf (caught by scalar_or_none) or, due to floating-point + # error, a huge-but-finite garbage value (not caught by isfinite). + scalar_notes = {} + raw_consumption_speed = float(solver.consumptionSpeed) + boundary_dT = abs(float(T[0]) - float(T[-1])) + if not np.isfinite(raw_consumption_speed) or boundary_dT < 5.0: + consumption_speed = None + scalar_notes['consumption_speed'] = ( + 'Not physically meaningful for this configuration: the domain ' + 'boundary temperatures are nearly equal (T[0]=%.2f K, ' + 'T[-1]=%.2f K), so the premixed consumption-speed formula ' + 'Q/cp integral / (rho_u*(Tb-Tu)) has a near-zero denominator. ' + 'Raw solver value (%r) discarded and replaced with null.' + % (T[0], T[-1], raw_consumption_speed)) + else: + consumption_speed = raw_consumption_speed + + result = { + 'case': name, + 'commit': git_commit(), + 'generated_at_utc': datetime.datetime.now(datetime.timezone.utc).isoformat(), + 'config_summary': conf.stringify(), + 'deviations_from_stock': deviations, + # The convection discretization scheme option does not exist yet at + # this commit (Phase 0, pre-implementation baseline). Once Phase 1 + # adds a `scheme` option to General, it should be recorded here. + 'scheme': None, + 'runtime_seconds': runtime, + 'final_time': float(solver.tNow), + 'grid_size': int(len(x)), + 'scalars': { + 'peak_T': peak_T, + 'consumption_speed': consumption_speed, + 'heat_release_rate_integral': scalar_or_none(solver.heatReleaseRate), + 'flame_position': scalar_or_none(solver.flamePosition), + }, + 'scalar_notes': scalar_notes, + 'profiles': { + 'x': x.tolist(), + 'T': T.tolist(), + 'species': species_profiles, + }, + } + return result + + +def main(): + parser = argparse.ArgumentParser(description=__doc__, + formatter_class=argparse.RawDescriptionHelpFormatter) + parser.add_argument('--outdir', default='test/convergence/baselines', + help='Directory to write baseline JSON files into') + parser.add_argument('--workdir', default='build/test/baselines-work', + help='Scratch directory for Ember run outputs (HDF5 profiles, logs)') + parser.add_argument('--cases', nargs='+', choices=sorted(CASES), default=sorted(CASES), + help='Subset of cases to run (default: all curated cases)') + parser.add_argument('--suffix', default='', + help='Optional suffix appended to output JSON filenames, ' + 'e.g. "_run2" for a repeatability check') + parser.add_argument('--retries', type=int, default=3, + help='Max attempts per case. Some cases occasionally fail ' + 'with a CVODE/integrator error under multi-threaded ' + 'execution (observed thread-scheduling nondeterminism, ' + 'see README.md); retrying is usually sufficient. ' + '(default: 3)') + args = parser.parse_args() + + os.makedirs(args.outdir, exist_ok=True) + os.makedirs(args.workdir, exist_ok=True) + + total_t0 = time.time() + for name in args.cases: + print('=== Running %s ===' % name) + attempt = 0 + while True: + attempt += 1 + try: + result = run_case(name, args.workdir) + break + except Exception as exc: + print(' attempt %d/%d failed: %r' % (attempt, args.retries, exc)) + if attempt >= args.retries: + raise + result['attempts'] = attempt + print(' finished in %.1f s (attempts=%d, final_time=%.5g, grid_size=%d, peak_T=%.1f)' + % (result['runtime_seconds'], attempt, result['final_time'], + result['grid_size'], result['scalars']['peak_T'])) + out_path = os.path.join(args.outdir, name + args.suffix + '.json') + with open(out_path, 'w') as f: + json.dump(result, f, indent=2) + print(' wrote %s' % out_path) + + print('=== Total wall time: %.1f s ===' % (time.time() - total_t0)) + + +if __name__ == '__main__': + main() From c6668db8d87bae14099f58aa966b511d773889e9 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sat, 4 Jul 2026 12:08:49 -0400 Subject: [PATCH 05/37] convection: mark task 0.1 complete in plan --- .../plans/2026-07-04-convection-discretization.md | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/docs/superpowers/plans/2026-07-04-convection-discretization.md b/docs/superpowers/plans/2026-07-04-convection-discretization.md index 70f4737..79be5de 100644 --- a/docs/superpowers/plans/2026-07-04-convection-discretization.md +++ b/docs/superpowers/plans/2026-07-04-convection-discretization.md @@ -1,6 +1,6 @@ # Higher-Order Convection Discretization Implementation Plan -> **For agentic workers:** REQUIRED SUB-SKILL: Use superpowers:subagent-driven-development (recommended) or superpowers:executing-plans to implement this plan task-by-task. Steps use checkbox (`- [ ]`) syntax for tracking. +> **For agentic workers:** REQUIRED SUB-SKILL: Use superpowers:subagent-driven-development (recommended) or superpowers:executing-plans to implement this plan task-by-task. Steps use checkbox (`- [x]`) syntax for tracking. **Goal:** Replace Ember's 1st-order upwind convection discretization with a config-selectable, limited, (mostly) 2nd-order upwind scheme plus a @@ -100,13 +100,13 @@ codebase patterns. pre-implementation commit instead. **Steps:** -- [ ] Write `run_baselines.py` and `compare_baselines.py` with README -- [ ] Run the six cases; verify each completes and writes plausible JSON +- [x] Write `run_baselines.py` and `compare_baselines.py` with README +- [x] Run the six cases; verify each completes and writes plausible JSON (no NaNs, T within physical bounds) -- [ ] Re-run one case twice to quantify run-to-run reproducibility (thread +- [x] Re-run one case twice to quantify run-to-run reproducibility (thread scheduling noise); record the observed tolerance floor in the README — this becomes the comparison threshold for Task 1.5 -- [ ] Commit artifacts: `convection: [0.1] example baseline harness + baselines` +- [x] Commit artifacts: `convection: [0.1] example baseline harness + baselines` --- From 45e6d40fbde97618cf7492b9b0c82f28717e5f2d Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sat, 4 Jul 2026 12:27:16 -0400 Subject: [PATCH 06/37] convection: [1.1] ConvectionDifferencer kernel + unit tests Add the shared advective-derivative kernel for the convection operator, with a bit-identical FirstOrderUpwind path and a van Albada limited, upwind-biased SecondOrderLimited path (spec 3.1-3.2). Includes gtest unit tests covering constant/linear exactness, bit-identical legacy parity, ~2nd-order convergence on smoothly nonuniform grids, no-new-extrema on monotone data, and upwind-branch selection. Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_013DZnCpPG1q1crycu8GPukv --- src/convectionDifferencer.cpp | 81 ++++++ src/convectionDifferencer.h | 54 ++++ test/test_convectionDifferencer.cpp | 367 ++++++++++++++++++++++++++++ 3 files changed, 502 insertions(+) create mode 100644 src/convectionDifferencer.cpp create mode 100644 src/convectionDifferencer.h create mode 100644 test/test_convectionDifferencer.cpp diff --git a/src/convectionDifferencer.cpp b/src/convectionDifferencer.cpp new file mode 100644 index 0000000..e41c872 --- /dev/null +++ b/src/convectionDifferencer.cpp @@ -0,0 +1,81 @@ +#include "convectionDifferencer.h" + +#include + +void ConvectionDifferencer::setScheme(Scheme s) +{ + scheme = s; +} + +void ConvectionDifferencer::resize(size_t nPoints) +{ + sigma.resize(nPoints); +} + +void ConvectionDifferencer::computeDerivatives(const dvec& y, const dvec& v, + const OneDimGrid& grid, dvec& dydx) +{ + const size_t jj = grid.jj; + const dvec& hh = grid.hh; + + if (scheme == Scheme::FirstOrderUpwind) { + // Legacy 1st-order upwind, reproduced bit-identically from the original + // convection loops: forward difference where the advecting velocity is + // negative or at the left boundary node, backward difference otherwise. + for (size_t j = 0; j < jj; j++) { + if (v[j] < 0 || j == 0) { + dydx[j] = (y[j+1] - y[j]) / hh[j]; + } else { + dydx[j] = (y[j] - y[j-1]) / hh[j-1]; + } + } + return; + } + + // *** SecondOrderLimited *** + const size_t nPoints = grid.nPoints; + assert(nPoints >= 3); + if (static_cast(sigma.size()) != nPoints) { + sigma.resize(nPoints); + } + const dvec& dlj = grid.dlj; + + // Pass 1: van Albada limited node slopes. The outermost nodes fall back to + // a zero slope, making the outermost face reconstructions locally 1st-order + // (these are small-gradient far-field regions). + sigma[0] = 0.0; + sigma[jj] = 0.0; + for (size_t j = 1; j < jj; j++) { + double sm = (y[j] - y[j-1]) / hh[j-1]; // one-sided slope from the left + double sp = (y[j+1] - y[j]) / hh[j]; // one-sided slope from the right + if (sm * sp > 0) { + // van Albada limiter. Returns exactly the common slope when + // sm == sp (so linear data yields the exact derivative). The + // sm*sp > 0 guard both clips at extrema and avoids the 0/0 form on + // flat data (sm == sp == 0), without an epsilon that would break + // the linear-exactness property. + sigma[j] = (sm * sp) * (sm + sp) / (sm * sm + sp * sp); + } else { + sigma[j] = 0.0; + } + } + + // Pass 2: upwind-biased face reconstruction. The advective derivative at + // node j is the difference of the reconstructed face values divided by the + // node spacing dlj[j] = (hh[j-1] + hh[j])/2. Each face value is + // reconstructed from the upwind side selected by sign(v[j]). dydx[0] is + // unused by the callers (node 0 uses a boundary closure). + dydx[0] = 0.0; + for (size_t j = 1; j < jj; j++) { + double yFaceR; // reconstruction at the right face x_{j+1/2} + double yFaceL; // reconstruction at the left face x_{j-1/2} + if (v[j] < 0) { + yFaceR = y[j+1] - sigma[j+1] * hh[j] / 2; + yFaceL = y[j] - sigma[j] * hh[j-1] / 2; + } else { + yFaceR = y[j] + sigma[j] * hh[j] / 2; + yFaceL = y[j-1] + sigma[j-1] * hh[j-1] / 2; + } + dydx[j] = (yFaceR - yFaceL) / dlj[j]; + } +} diff --git a/src/convectionDifferencer.h b/src/convectionDifferencer.h new file mode 100644 index 0000000..b4d3659 --- /dev/null +++ b/src/convectionDifferencer.h @@ -0,0 +1,54 @@ +#pragma once + +#include "mathUtils.h" +#include "grid.h" + +//! Computes upwind-biased advective derivatives \f$ \partial y / \partial x \f$ +//! on a nonuniform grid for the convection sub-problem. +//! +//! Two schemes are provided: +//! - #Scheme::FirstOrderUpwind reproduces the legacy 1st-order upwind +//! stencil bit-identically (forward difference where the advecting velocity +//! is negative or at the left boundary node, backward difference +//! otherwise). +//! - #Scheme::SecondOrderLimited applies a van Albada limited, upwind-biased +//! face reconstruction that is 2nd-order in smooth regions regardless of +//! grid nonuniformity and falls back to local 1st-order upwind at extrema. +//! +//! The kernel computes derivatives at nodes `0 .. jj-1`. The right-boundary +//! node `jj` uses a boundary-condition-specific closure and is handled by the +//! callers. +class ConvectionDifferencer +{ +public: + //! Selects the discretization used by computeDerivatives(). + enum class Scheme { + FirstOrderUpwind, //!< Legacy 1st-order upwind (bit-identical) + SecondOrderLimited //!< van Albada limited ~2nd-order upwind-biased + }; + + //! Select the active discretization scheme. + void setScheme(Scheme s); + + //! Size the internal limiter scratch vector. Must be called with the + //! current number of grid points before computeDerivatives(). + void resize(size_t nPoints); + + //! Compute the advective derivative \f$ dy/dx \f$ at nodes `0 .. jj-1`. + //! + //! The upwind branch is chosen per node from the sign of the advecting + //! velocity `v[j]` (forward difference where `v[j] < 0`). The right-boundary + //! node `jj` is not written; callers apply their own boundary closure there. + //! + //! @param y Field values at each grid point. + //! @param v Advecting velocity at each grid point (only its sign is used + //! for branch selection). + //! @param grid Grid providing the spacing arrays `hh` and `dlj`. + //! @param dydx Output derivative, written for indices `0 .. jj-1`. + void computeDerivatives(const dvec& y, const dvec& v, + const OneDimGrid& grid, dvec& dydx); + +private: + Scheme scheme = Scheme::SecondOrderLimited; + dvec sigma; //!< limited node slopes (van Albada), one per grid point +}; diff --git a/test/test_convectionDifferencer.cpp b/test/test_convectionDifferencer.cpp new file mode 100644 index 0000000..866693b --- /dev/null +++ b/test/test_convectionDifferencer.cpp @@ -0,0 +1,367 @@ +#include "../src/convectionDifferencer.h" +#include "gtest/gtest.h" + +#include +#include +#include +#include + +using Scheme = ConvectionDifferencer::Scheme; + +namespace { + +//! Build a minimal planar OneDimGrid from a set of node coordinates. +OneDimGrid makeGrid(const dvec& x) +{ + OneDimGrid grid; + grid.alpha = 0; + grid.beta = 1; + grid.setSize(x.size()); + grid.x = x; + grid.updateValues(); + return grid; +} + +//! Independent copy of the legacy 1st-order upwind convection loop, used as the +//! bit-identical reference. Forward difference where the velocity is negative +//! or at the left boundary node, backward difference otherwise. +dvec legacyUpwind(const dvec& y, const dvec& v, const OneDimGrid& grid) +{ + const dvec& hh = grid.hh; + dvec d = dvec::Zero(grid.nPoints); + for (size_t j = 0; j < grid.jj; j++) { + if (v[j] < 0 || j == 0) { + d[j] = (y[j+1] - y[j]) / hh[j]; + } else { + d[j] = (y[j] - y[j-1]) / hh[j-1]; + } + } + return d; +} + +//! Node coordinates for a smoothly, strongly nonuniform grid on [-L, L]. The +//! spacing density is exp(sum of a few sine modes), so adjacent spacings vary +//! smoothly (representative of the production adaptive grid) while reaching +//! adjacent-spacing ratios of order `uniformityTol` (~2) at coarse resolution. +dvec makeStretchedX(size_t N, double L, + const std::array& amps, + const std::array& phases) +{ + dvec dens(N); + for (size_t i = 0; i < N; i++) { + double xi = double(i) / (N - 1); + double e = 0.0; + for (int k = 0; k < 3; k++) { + e += amps[k] * std::sin(2 * M_PI * (k + 1) * xi + phases[k]); + } + dens[i] = std::exp(e); + } + dvec x(N); + x[0] = 0.0; + for (size_t i = 1; i < N; i++) { + x[i] = x[i-1] + 0.5 * (dens[i-1] + dens[i]); // trapezoidal integral + } + double span = x[N-1]; + for (size_t i = 0; i < N; i++) { + x[i] = x[i] / span * (2 * L) - L; + } + return x; +} + +} // anonymous namespace + +// Constant field -> derivative is identically zero for both schemes, for a +// mixed-sign velocity field. +TEST(ConvectionDifferencer, ConstantField) +{ + dvec x(6); + x << 0.0, 0.3, 0.5, 1.1, 1.4, 2.0; // nonuniform + OneDimGrid grid = makeGrid(x); + + dvec y = dvec::Constant(6, 3.7); + dvec v(6); + v << 1.0, -1.0, 1.0, -1.0, 1.0, -1.0; // mixed sign + + ConvectionDifferencer diff; + dvec d = dvec::Zero(6); + for (Scheme s : {Scheme::FirstOrderUpwind, Scheme::SecondOrderLimited}) { + diff.setScheme(s); + diff.resize(6); + diff.computeDerivatives(y, v, grid, d); + for (size_t j = 0; j < grid.jj; j++) { + EXPECT_NEAR(d[j], 0.0, 1e-13) << "j = " << j; + } + } +} + +// Linear field -> exact derivative for both schemes, for a mixed-sign velocity. +// FirstOrderUpwind is exact at nodes 0..jj-1; SecondOrderLimited is exact at +// interior nodes 1..jj-1 and sets node 0 to zero. +TEST(ConvectionDifferencer, LinearField) +{ + dvec x(7); + x << 0.0, 0.2, 0.5, 0.9, 1.0, 1.6, 2.1; // nonuniform + OneDimGrid grid = makeGrid(x); + + double a = -1.3, b = 0.4; + dvec y = a * x + b; + + // Mixed-sign interior velocity. The outermost node slopes are pinned to + // zero (sigma[0] = sigma[jj] = 0), so a reconstruction that reaches across + // one of those faces is only locally 1st-order by design (spec 3.2). That + // happens for node 1 when v > 0 and for node jj-1 when v < 0; the velocity + // here keeps those two nodes on their interior-facing branch so every + // interior node is genuinely 2nd-order and therefore linear-exact. + dvec v(7); + v << 1.0, -1.0, 1.0, -1.0, 1.0, 1.0, -1.0; + + ConvectionDifferencer diff; + dvec d = dvec::Zero(7); + + // FirstOrderUpwind is linear-exact at nodes 0..jj-1 for any velocity. + diff.setScheme(Scheme::FirstOrderUpwind); + diff.resize(7); + diff.computeDerivatives(y, v, grid, d); + for (size_t j = 0; j < grid.jj; j++) { + EXPECT_NEAR(d[j], a, 1e-10) << "FirstOrderUpwind, j = " << j; + } + + diff.setScheme(Scheme::SecondOrderLimited); + diff.computeDerivatives(y, v, grid, d); + EXPECT_NEAR(d[0], 0.0, 1e-13) << "SecondOrderLimited node 0 must be 0"; + for (size_t j = 1; j < grid.jj; j++) { + EXPECT_NEAR(d[j], a, 1e-10) << "SecondOrderLimited, j = " << j; + } +} + +// FirstOrderUpwind must reproduce the legacy loop bit-for-bit for random data +// and random velocities on a nonuniform grid. +TEST(ConvectionDifferencer, FirstOrderMatchesLegacy) +{ + std::mt19937 rng(12345); + std::uniform_real_distribution ud(-5.0, 5.0); + std::uniform_real_distribution uh(0.1, 1.0); + + const size_t N = 30; + dvec x(N); + x[0] = 0.0; + for (size_t i = 1; i < N; i++) { + x[i] = x[i-1] + uh(rng); // random nonuniform spacing + } + OneDimGrid grid = makeGrid(x); + + ConvectionDifferencer diff; + diff.setScheme(Scheme::FirstOrderUpwind); + diff.resize(N); + + for (int trial = 0; trial < 20; trial++) { + dvec y(N), v(N); + for (size_t i = 0; i < N; i++) { + y[i] = ud(rng); + v[i] = ud(rng); + } + dvec d = dvec::Zero(N); + diff.computeDerivatives(y, v, grid, d); + dvec ref = legacyUpwind(y, v, grid); + for (size_t j = 0; j < grid.jj; j++) { + EXPECT_EQ(d[j], ref[j]) << "trial " << trial << ", j = " << j; + } + } +} + +// SecondOrderLimited achieves ~2nd-order convergence in the interior L2 norm on +// smoothly, strongly nonuniform grids under refinement, for velocity fields +// with sign changes. Randomized but seeded (deterministic). +TEST(ConvectionDifferencer, SecondOrderConvergence) +{ + std::mt19937 rng(20260704); + std::uniform_real_distribution uphase(0.0, 2 * M_PI); + std::uniform_real_distribution uamp(0.7, 1.3); + const std::array baseAmp = {2.2, 1.1, 0.6}; + + const double w = 0.5, L = 2.5; + const std::vector Ns = {81, 161, 321, 641}; + + for (int c = 0; c < 4; c++) { + std::array phases = {uphase(rng), uphase(rng), uphase(rng)}; + std::array amps = {baseAmp[0] * uamp(rng), + baseAmp[1] * uamp(rng), + baseAmp[2] * uamp(rng)}; + + std::vector errs; + double maxRatio = 1.0; + for (size_t N : Ns) { + dvec x = makeStretchedX(N, L, amps, phases); + OneDimGrid grid = makeGrid(x); + + dvec y = (x / w).tanh(); + dvec cosh = (x / w).cosh(); + dvec exact = (1.0 / w) * (cosh * cosh).inverse(); // sech^2(x/w)/w + dvec v = (2.7 * x + double(c)).sin(); // sign changes + + ConvectionDifferencer diff; + diff.setScheme(Scheme::SecondOrderLimited); + diff.resize(N); + dvec d = dvec::Zero(N); + diff.computeDerivatives(y, v, grid, d); + + double se = 0.0; + size_t cnt = 0; + for (size_t j = 1; j < grid.jj; j++) { + se += (d[j] - exact[j]) * (d[j] - exact[j]); + cnt++; + double r = grid.hh[j] / grid.hh[j-1]; + maxRatio = std::max(maxRatio, std::max(r, 1.0 / r)); + } + errs.push_back(std::sqrt(se / cnt)); + } + + // Observed order between the two finest grids (asymptotic regime). + size_t n = Ns.size(); + double order = std::log(errs[n-2] / errs[n-1]) + / std::log(double(Ns[n-1]) / double(Ns[n-2])); + EXPECT_GE(order, 1.9) << "case " << c << ": observed order " << order + << ", max adjacent spacing ratio " << maxRatio; + } +} + +// No-new-extrema (boundedness): on monotone data the limited reconstruction +// must not introduce over/undershoots, so the derivative keeps a consistent +// sign. Tested on a strongly nonuniform grid with a steep monotone front. +TEST(ConvectionDifferencer, NoNewExtrema) +{ + std::mt19937 rng(777); + std::uniform_real_distribution uu(-1.0, 1.0); + + const size_t N = 41; + dvec x(N); + x[0] = 0.0; + double h = 1.0; + for (size_t i = 0; i < N - 1; i++) { + if (i) { + h *= std::pow(2.0, uu(rng)); // adjacent ratio in [1/2, 2] + } + x[i+1] = x[i] + h; + } + x = x / x[N-1] * 4.0 - 2.0; + OneDimGrid grid = makeGrid(x); + + dvec yInc = (x / 0.05).tanh(); // monotone increasing, steep front + + ConvectionDifferencer diff; + diff.setScheme(Scheme::SecondOrderLimited); + diff.resize(N); + dvec d = dvec::Zero(N); + + for (double vs : {1.0, -1.0}) { + dvec v = dvec::Constant(N, vs); + diff.computeDerivatives(yInc, v, grid, d); + for (size_t j = 1; j < grid.jj; j++) { + EXPECT_GE(d[j], -1e-12) + << "monotone-increasing data gave a negative slope at j = " << j + << " (v = " << vs << ")"; + } + } + + dvec yDec = -yInc; // monotone decreasing + for (double vs : {1.0, -1.0}) { + dvec v = dvec::Constant(N, vs); + diff.computeDerivatives(yDec, v, grid, d); + for (size_t j = 1; j < grid.jj; j++) { + EXPECT_LE(d[j], 1e-12) + << "monotone-decreasing data gave a positive slope at j = " << j + << " (v = " << vs << ")"; + } + } +} + +// Upwind-branch selection (FirstOrderUpwind): a mixed-sign velocity field must +// pick the correct one-sided difference at each node. Hand-computed small case. +TEST(ConvectionDifferencer, UpwindBranchSelection) +{ + dvec x(5); + x << 0.0, 1.0, 3.0, 6.0, 10.0; // hh = 1, 2, 3, 4 + OneDimGrid grid = makeGrid(x); + + dvec y(5); + y << 0.0, 1.0, 4.0, 9.0, 16.0; + dvec v(5); + v << 1.0, -2.0, 3.0, -1.0, 5.0; + + ConvectionDifferencer diff; + diff.setScheme(Scheme::FirstOrderUpwind); + diff.resize(5); + dvec d = dvec::Zero(5); + diff.computeDerivatives(y, v, grid, d); + + // j=0: forced forward -> (y1-y0)/hh0 = 1/1 + // j=1: v<0 -> forward -> (y2-y1)/hh1 = 3/2 + // j=2: v>0 -> backward -> (y2-y1)/hh1 = 3/2 + // j=3: v<0 -> forward -> (y4-y3)/hh3 = 7/4 + EXPECT_DOUBLE_EQ(d[0], 1.0); + EXPECT_DOUBLE_EQ(d[1], 1.5); + EXPECT_DOUBLE_EQ(d[2], 1.5); + EXPECT_DOUBLE_EQ(d[3], 1.75); +} + +// Upwind-branch selection (SecondOrderLimited): the reconstruction must use the +// upwind side per sign(v[j]), with the correct spacing in each face offset. +// Verified against the explicit van Albada reconstruction at an interior node. +TEST(ConvectionDifferencer, SecondOrderUpwindBranch) +{ + dvec x(5); + x << 0.0, 1.0, 3.0, 6.0, 10.0; // hh = 1, 2, 3, 4 + OneDimGrid grid = makeGrid(x); + + dvec y(5); + y << 0.0, 2.0, 3.0, 7.0, 8.0; + + auto va = [](double sm, double sp) { + return (sm * sp > 0) ? sm * sp * (sm + sp) / (sm * sm + sp * sp) : 0.0; + }; + const double hh1 = 2.0, hh2 = 3.0, hh3 = 4.0; + double sig1 = va((y[1]-y[0]) / 1.0, (y[2]-y[1]) / hh1); + double sig2 = va((y[2]-y[1]) / hh1, (y[3]-y[2]) / hh2); + double sig3 = va((y[3]-y[2]) / hh2, (y[4]-y[3]) / hh3); + double dlj2 = 0.5 * (x[3] - x[1]); + + ConvectionDifferencer diff; + diff.setScheme(Scheme::SecondOrderLimited); + diff.resize(5); + dvec d = dvec::Zero(5); + + // v > 0 at node 2: reconstruct from the left/own side. + dvec vpos = dvec::Constant(5, 1.0); + diff.computeDerivatives(y, vpos, grid, d); + double posExpected = ((y[2] + sig2 * hh2 / 2) - (y[1] + sig1 * hh1 / 2)) / dlj2; + EXPECT_NEAR(d[2], posExpected, 1e-12); + + // v < 0 at node 2: reconstruct from the right/own side. + dvec vneg = dvec::Constant(5, -1.0); + diff.computeDerivatives(y, vneg, grid, d); + double negExpected = ((y[3] - sig3 * hh2 / 2) - (y[2] - sig2 * hh1 / 2)) / dlj2; + EXPECT_NEAR(d[2], negExpected, 1e-12); + + // The two branches must genuinely differ, so branch selection matters. + EXPECT_NE(posExpected, negExpected); +} + +#ifndef NDEBUG +// The SecondOrderLimited kernel requires at least 3 grid points. (Only active +// in debug builds where asserts are enabled.) +TEST(ConvectionDifferencer, AssertsMinimumSize) +{ + dvec x(2); + x << 0.0, 1.0; + OneDimGrid grid = makeGrid(x); + dvec y(2); + y << 0.0, 1.0; + dvec v = dvec::Constant(2, 1.0); + dvec d = dvec::Zero(2); + + ConvectionDifferencer diff; + diff.setScheme(Scheme::SecondOrderLimited); + diff.resize(2); + EXPECT_DEATH(diff.computeDerivatives(y, v, grid, d), ""); +} +#endif From 25b634b5594f1dfa813f9746e0a1040e67470be6 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sat, 4 Jul 2026 16:42:58 -0400 Subject: [PATCH 07/37] convection: mark task 1.1 complete in plan Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_017CxCXLfj7MZ3qNs5eHXeXZ --- .../plans/2026-07-04-convection-discretization.md | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/docs/superpowers/plans/2026-07-04-convection-discretization.md b/docs/superpowers/plans/2026-07-04-convection-discretization.md index 79be5de..f7e4145 100644 --- a/docs/superpowers/plans/2026-07-04-convection-discretization.md +++ b/docs/superpowers/plans/2026-07-04-convection-discretization.md @@ -160,9 +160,9 @@ public: each node uses the correct side (compare against hand-computed small case). **Steps:** -- [ ] Write failing unit tests covering all requirements above -- [ ] Implement kernel; iterate until tests pass (`pixi run test`) -- [ ] Commit: `convection: [1.1] ConvectionDifferencer kernel + unit tests` +- [x] Write failing unit tests covering all requirements above +- [x] Implement kernel; iterate until tests pass (`pixi run test`) +- [x] Commit: `convection: [1.1] ConvectionDifferencer kernel + unit tests` ### Task 1.2: Config plumbing for `convectionScheme` From 49a7b7932496294668c32543b0513c1d1c258d2b Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sat, 4 Jul 2026 16:46:37 -0400 Subject: [PATCH 08/37] convection: [1.2] convectionScheme config option Add General.convectionScheme StringOption (default "secondOrderLimited", allowed value "firstOrderUpwind") and plumb it through to ConfigOptions::convectionScheme, mirroring the splittingMethod pattern. Parsing the string to the ConvectionDifferencer::Scheme enum is Task 1.3. Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_017CxCXLfj7MZ3qNs5eHXeXZ --- python/ember/_ember.pxd | 1 + python/ember/_ember.pyx | 1 + python/ember/input.py | 7 +++++++ src/readConfig.h | 1 + 4 files changed, 10 insertions(+) diff --git a/python/ember/_ember.pxd b/python/ember/_ember.pxd index 5c80548..8133374 100644 --- a/python/ember/_ember.pxd +++ b/python/ember/_ember.pxd @@ -57,6 +57,7 @@ cdef extern from "readConfig.h": double globalTimestep, diffusionTimestepMultiplier string splittingMethod, chemistryIntegrator, rateMultiplierFunctionType + string convectionScheme double integratorRelTol, integratorMomentumAbsTol, integratorEnergyAbsTol double integratorSpeciesAbsTol, integratorMinTimestep diff --git a/python/ember/_ember.pyx b/python/ember/_ember.pyx index 070439d..25f9f7f 100644 --- a/python/ember/_ember.pyx +++ b/python/ember/_ember.pyx @@ -201,6 +201,7 @@ cdef class ConfigOptions: opts.twinFlame = G.twinFlame opts.chemistryIntegrator = stringify(G.chemistryIntegrator) opts.splittingMethod = stringify(G.splittingMethod) + opts.convectionScheme = stringify(G.convectionScheme) opts.setContinuityBC(stringify(G.continuityBC)) opts.errorStopCount = G.errorStopCount opts.stopIfError = G.errorStopCount > 0 diff --git a/python/ember/input.py b/python/ember/input.py index e121272..8625b0c 100644 --- a/python/ember/input.py +++ b/python/ember/input.py @@ -335,6 +335,13 @@ class General(Options): #: terms. Options are ``strang`` and ``balanced``. splittingMethod = StringOption("balanced", ("strang",), level=2) + #: Discretization scheme to use for the convection term. The default, + #: ``secondOrderLimited``, is 2nd-order accurate in smooth regions and + #: falls back locally to a 1st-order limiter at extrema. ``firstOrderUpwind`` + #: is the legacy scheme used prior to version 1.7. + convectionScheme = StringOption("secondOrderLimited", + ("firstOrderUpwind",), level=2) + #: Number of integration failures to tolerate in the chemistry #: integrator before aborting. errorStopCount = IntegerOption(100, level=2) diff --git a/src/readConfig.h b/src/readConfig.h index b31d2e2..c6c134c 100644 --- a/src/readConfig.h +++ b/src/readConfig.h @@ -76,6 +76,7 @@ class ConfigOptions double globalTimestep; //!< [times.globalTimestep] double diffusionTimestepMultiplier; //!< [times.diffusionTimestepMultiplier] std::string splittingMethod; //!< [general.splittingMethod] + std::string convectionScheme; //!< [general.convectionScheme] std::string chemistryIntegrator; //!< [general.chemistryIntegrator] double integratorRelTol; //!< [cvodeTolerances.relativeTolerance] From f2eafc1532729e454d94349a317c925812725356 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sat, 4 Jul 2026 16:48:21 -0400 Subject: [PATCH 09/37] convection: mark task 1.2 complete in plan Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_017CxCXLfj7MZ3qNs5eHXeXZ --- .../plans/2026-07-04-convection-discretization.md | 8 +++++--- 1 file changed, 5 insertions(+), 3 deletions(-) diff --git a/docs/superpowers/plans/2026-07-04-convection-discretization.md b/docs/superpowers/plans/2026-07-04-convection-discretization.md index f7e4145..366dda9 100644 --- a/docs/superpowers/plans/2026-07-04-convection-discretization.md +++ b/docs/superpowers/plans/2026-07-04-convection-discretization.md @@ -188,11 +188,13 @@ public: kernel enum happens in Task 1.3 and must throw on unknown strings. **Steps:** -- [ ] Add option across the four plumbing layers -- [ ] Rebuild (`pixi run build`); verify `Config(General(convectionScheme= +- [x] Add option across the four plumbing layers +- [x] Rebuild (`pixi run build`); verify `Config(General(convectionScheme= 'firstOrderUpwind')).validate()` passes and an invalid value fails validation (quick Python check, can be a throwaway snippet) -- [ ] Commit: `convection: [1.2] convectionScheme config option` +- [x] Commit: `convection: [1.2] convectionScheme config option` + (note: `readConfig.cpp` needed no change — string options bridge via + `.pyx` directly, matching `splittingMethod`) ### Task 1.3: Integrate kernel into `ConvectionSystemUTW` + trapezoidal march From e2331afa4905d21f4951e1c2d324036965edceb5 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sat, 4 Jul 2026 16:59:12 -0400 Subject: [PATCH 10/37] convection: [1.3] UTW system on ConvectionDifferencer + trapezoidal continuity Replace the inline dTdx/dUdx/dWdx upwind loop in ConvectionSystemUTW::f() with three ConvectionDifferencer::computeDerivatives() calls (branch selection on rV, unchanged sign convention), and add the spec 3.3 trapezoidal continuity march gated on SecondOrderLimited in all continuity-BC branches (Left forward; Zero forward+backward; Temp/Right/ Qdot forward+backward). FirstOrderUpwind keeps the legacy rectangle rule verbatim. The differencer is a per-instance member of ConvectionSystemUTW, resized alongside the system. ConvectionSystemSplit::setTolerances() parses convectionScheme to the enum (throwing DebugException on unknown values), stores it, and propagates it to utwSystem. Verification: firstOrderUpwind is bit-identical to pre-change behavior. Spot-check ran the test_flame_configs TestPremixedStrained config (nThreads=1, convectionScheme='firstOrderUpwind') on the working tree vs a clean build of pre-change commit f2eafc1; final T and x profiles matched exactly (max|dT|=0.0, arrays bit-identical). gtest 27/27 and pytest 15/15 pass (the flame-config integration tests run under the default secondOrderLimited scheme). Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_017CxCXLfj7MZ3qNs5eHXeXZ --- src/convectionSystem.cpp | 88 ++++++++++++++++++++++++++++++++-------- src/convectionSystem.h | 21 ++++++++++ 2 files changed, 92 insertions(+), 17 deletions(-) diff --git a/src/convectionSystem.cpp b/src/convectionSystem.cpp index 9fd8c61..368c4d1 100644 --- a/src/convectionSystem.cpp +++ b/src/convectionSystem.cpp @@ -8,7 +8,15 @@ ConvectionSystemUTW::ConvectionSystemUTW() , continuityBC(ContinuityBoundaryCondition::Left) , jContBC(0) , nVars(3) + , scheme(ConvectionDifferencer::Scheme::SecondOrderLimited) { + differencer.setScheme(scheme); +} + +void ConvectionSystemUTW::setScheme(ConvectionDifferencer::Scheme newScheme) +{ + scheme = newScheme; + differencer.setScheme(newScheme); } int ConvectionSystemUTW::f(const realtype t, const sdVector& y, sdVector& ydot) @@ -18,10 +26,27 @@ int ConvectionSystemUTW::f(const realtype t, const sdVector& y, sdVector& ydot) rho = gas->pressure * Wmx / (Cantera::GasConstant * T); // *** Calculate V *** + // The continuity (rV) march uses the trapezoidal rule (spec 3.3) for the + // SecondOrderLimited scheme and the legacy rectangle rule for + // FirstOrderUpwind (kept bit-identical). trapFwd(j) is the trapezoidal + // mass-flux integral between nodes j and j+1 using node radii; it serves + // both the forward march (rV[j+1] = rV[j] - trapFwd(j)) and the backward + // march (rV[j-1] = rV[j] + trapFwd(j-1)). + const bool trapezoidal = + (scheme == ConvectionDifferencer::Scheme::SecondOrderLimited); + auto trapFwd = [&](size_t j) { + return 0.5 * hh[j] * (r[j] * (drhodt[j] + rho[j] * beta * U[j]) + + r[j+1] * (drhodt[j+1] + rho[j+1] * beta * U[j+1])); + }; + if (continuityBC == ContinuityBoundaryCondition::Left) { rV[0] = rVzero; for (size_t j=0; j0; j--) { - rV[j-1] = rV[j] + hh[j-1] * rphalf[j-1] * (drhodt[j-1] + rho[j-1] * beta * U[j-1]); + if (trapezoidal) { + rV[j-1] = rV[j] + trapFwd(j-1); + } else { + rV[j-1] = rV[j] + hh[j-1] * rphalf[j-1] * (drhodt[j-1] + rho[j-1] * beta * U[j-1]); + } } } } else { @@ -56,27 +89,32 @@ int ConvectionSystemUTW::f(const realtype t, const sdVector& y, sdVector& ydot) } } for (size_t j=jContBC; j0; j--) { - rV[j-1] = rV[j] + hh[j-1] * rphalf[j] * (drhodt[j] + rho[j] * beta * U[j]); + if (trapezoidal) { + rV[j-1] = rV[j] + trapFwd(j-1); + } else { + rV[j-1] = rV[j] + hh[j-1] * rphalf[j] * (drhodt[j] + rho[j] * beta * U[j]); + } } } rV2V(); - // *** Calculate upwinded convective derivatives - for (size_t j=0; ja(t); @@ -184,6 +222,8 @@ void ConvectionSystemUTW::resize(const size_t new_nPoints) Wmx.setZero(nPoints); dWdt.setZero(nPoints); dWdx.setZero(nPoints); + + differencer.resize(nPoints); } void ConvectionSystemUTW::resetSplitConstants() @@ -405,6 +445,7 @@ ConvectionSystemSplit::ConvectionSystemSplit() , vInterp(new vecInterpolator()) , nSpec(0) , nVars(3) + , convectionScheme(ConvectionDifferencer::Scheme::SecondOrderLimited) , gas(NULL) , quasi2d(false) { @@ -426,6 +467,19 @@ void ConvectionSystemSplit::setTolerances(const ConfigOptions& options) abstolT = options.integratorEnergyAbsTol; abstolW = options.integratorSpeciesAbsTol * 20; abstolY = options.integratorSpeciesAbsTol; + + // Parse the convection discretization scheme once. The parsed value is + // stored so it can also be propagated to the species systems (a later + // task); here it is applied to the UTW system. + if (options.convectionScheme == "secondOrderLimited") { + convectionScheme = ConvectionDifferencer::Scheme::SecondOrderLimited; + } else if (options.convectionScheme == "firstOrderUpwind") { + convectionScheme = ConvectionDifferencer::Scheme::FirstOrderUpwind; + } else { + throw DebugException("Unknown convectionScheme: '" + + options.convectionScheme + "'"); + } + utwSystem.setScheme(convectionScheme); } void ConvectionSystemSplit::setGas(CanteraGas& gas_) diff --git a/src/convectionSystem.h b/src/convectionSystem.h index 79db0e3..9c8c7d0 100644 --- a/src/convectionSystem.h +++ b/src/convectionSystem.h @@ -6,6 +6,7 @@ #include "perfTimer.h" #include "quasi2d.h" #include "scalarFunction.h" +#include "convectionDifferencer.h" #include @@ -92,11 +93,26 @@ class ConvectionSystemUTW : public sdODE, public GridBased double rhou; //!< density of the unburned gas void setRhou(double _rhou) { rhou = _rhou; } + //! Select the discretization used for the advective derivatives and the + //! continuity (`rV`) march. #ConvectionDifferencer::Scheme::SecondOrderLimited + //! enables the trapezoidal continuity march; + //! #ConvectionDifferencer::Scheme::FirstOrderUpwind keeps the legacy + //! rectangle rule (bit-identical). + void setScheme(ConvectionDifferencer::Scheme newScheme); + private: void V2rV(); //!< compute #rV from #V void rV2V(); //!< compute #V from #rV size_t nVars; //!< Number of state variables at each grid point (`== 3`) + + //! Kernel computing the upwind-biased advective derivatives. Owned per + //! system instance so that parallel species solvers never share scratch. + ConvectionDifferencer differencer; + + //! Active discretization scheme, also used to gate the trapezoidal + //! continuity march. + ConvectionDifferencer::Scheme scheme; }; typedef std::map vecInterpolator; @@ -269,6 +285,11 @@ class ConvectionSystemSplit : public GridBased size_t nSpec; //!< Number of species size_t nVars; //!< Number of state variables in the UTW system (`==3`) + //! Convection discretization scheme parsed from + //! ConfigOptions::convectionScheme in setTolerances(). Stored so it can be + //! propagated to the UTW system (and, in a later task, the species systems). + ConvectionDifferencer::Scheme convectionScheme; + CanteraGas* gas; //!< Cantera object used for computing #Wmx //! `true` when solving the quasi-2d problem; `false` otherwise. From 30a4c3c237d70cd4ba90900df9c58fce47a752d7 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sat, 4 Jul 2026 17:02:02 -0400 Subject: [PATCH 11/37] convection: mark task 1.3 complete in plan Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_017CxCXLfj7MZ3qNs5eHXeXZ --- .../plans/2026-07-04-convection-discretization.md | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/docs/superpowers/plans/2026-07-04-convection-discretization.md b/docs/superpowers/plans/2026-07-04-convection-discretization.md index 366dda9..6092cd3 100644 --- a/docs/superpowers/plans/2026-07-04-convection-discretization.md +++ b/docs/superpowers/plans/2026-07-04-convection-discretization.md @@ -224,12 +224,13 @@ public: system. **Verification:** -- [ ] Full test suite passes (`pixi run test`) -- [ ] With `firstOrderUpwind`: `test/python/test_flame_configs.py` results +- [x] Full test suite passes (`pixi run test`) +- [x] With `firstOrderUpwind`: `test/python/test_flame_configs.py` results unchanged from pre-change behavior (spot-check one config by diffing final T profile against a pre-change run, or rely on Task 1.5 baseline comparison if preferred — state which was done in the commit message) -- [ ] Commit: `convection: [1.3] UTW system on ConvectionDifferencer + trapezoidal continuity` + (done via spot-check vs. clean f2eafc1: bit-identical, max|dT|=0.0) +- [x] Commit: `convection: [1.3] UTW system on ConvectionDifferencer + trapezoidal continuity` ### Task 1.4: Integrate kernel into `ConvectionSystemY` (incl. quasi-2D fix) From a14e666f6fd4a3857036c9c90e268557b98d8338 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sat, 4 Jul 2026 17:12:40 -0400 Subject: [PATCH 12/37] convection: [1.4] species convection on ConvectionDifferencer + quasi-2D velocity fix Route ConvectionSystemY::f() through the per-instance ConvectionDifferencer kernel (one call per f() evaluation) instead of the inline upwind loop. Each species system owns its differencer and scratch vectors for TBB safety. The standard path selects the upwind branch from the interpolated normal velocity v as before; the quasi-2D path builds a node-wise velocity array from vrInterp and passes it to the kernel, fixing the legacy uninitialized-v upwind-direction bug (spec 3.4). Boundary rows (j=0 inflow balance, j=jj outflow) and the quasi-2D ydot assembly form are unchanged. The scheme is propagated to each species system in ConvectionSystemSplit::configureSolver(). FirstOrderUpwind remains bit-identical (verified: full final state parity against 30a4c3c, max abs diff 0.0 for x, T, and all species Y). Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_017CxCXLfj7MZ3qNs5eHXeXZ --- src/convectionSystem.cpp | 37 +++++++++++++++++++++++++++++-------- src/convectionSystem.h | 23 ++++++++++++++++++++++- 2 files changed, 51 insertions(+), 9 deletions(-) diff --git a/src/convectionSystem.cpp b/src/convectionSystem.cpp index 368c4d1..69f1056 100644 --- a/src/convectionSystem.cpp +++ b/src/convectionSystem.cpp @@ -351,6 +351,23 @@ int ConvectionSystemY::f(const realtype t, const sdVector& y, sdVector& ydot) update_v(t); } + // *** Calculate the upwinded convective derivative dY/dx *** + // The kernel writes dYdx at nodes 0..jj-1 (dYdx[0] is discarded by the j=0 + // boundary row below). The upwind branch is selected per node from the sign + // of the advecting velocity. In the standard case this is the interpolated + // normal velocity v; in the quasi-2d case it is the node-wise radial + // velocity from vrInterp (fixing the legacy uninitialized-v upwind bug, + // spec 3.4). Copy the state into a dvec since the kernel consumes a dvec. + yIn = Eigen::Map(&y[0], nPoints); + if (quasi2d) { + for (size_t j=0; jget(x[j], t); + } + differencer.computeDerivatives(yIn, vAdv, grid, dYdx); + } else { + differencer.computeDerivatives(yIn, v, grid, dYdx); + } + // *** Calculate dY/dt // Left boundary conditions. @@ -367,17 +384,11 @@ int ConvectionSystemY::f(const realtype t, const sdVector& y, sdVector& ydot) } // Intermediate points - double dYdx; for (size_t j=1; jget(x[j], t) * dYdx / vzInterp->get(x[j], t) + splitConst[j]; + ydot[j] = -vrInterp->get(x[j], t) * dYdx[j] / vzInterp->get(x[j], t) + splitConst[j]; } else { - ydot[j] = -v[j] * dYdx + splitConst[j]; + ydot[j] = -v[j] * dYdx[j] + splitConst[j]; } } @@ -402,6 +413,15 @@ void ConvectionSystemY::resize(const size_t new_nPoints) { grid.setSize(new_nPoints); v.resize(nPoints); + dYdx.resize(nPoints); + yIn.resize(nPoints); + vAdv.resize(nPoints); + differencer.resize(nPoints); +} + +void ConvectionSystemY::setScheme(ConvectionDifferencer::Scheme newScheme) +{ + differencer.setScheme(newScheme); } void ConvectionSystemY::resetSplitConstants() @@ -725,6 +745,7 @@ void ConvectionSystemSplit::configureSolver(SundialsCvode& solver, const size_t solver.linearMultistepMethod = CV_ADAMS; speciesSystems[k].resize(nPoints); + speciesSystems[k].setScheme(convectionScheme); speciesSystems[k].Yleft = Yleft[k]; speciesSystems[k].k = k; } diff --git a/src/convectionSystem.h b/src/convectionSystem.h index 9c8c7d0..be718e1 100644 --- a/src/convectionSystem.h +++ b/src/convectionSystem.h @@ -134,6 +134,9 @@ class ConvectionSystemY : public sdODE, public GridBased //! terms to zero. void resetSplitConstants(); + //! Select the discretization used for the advective derivatives. + void setScheme(ConvectionDifferencer::Scheme newScheme); + //! Mass fraction to the left of the domain. Used only in conjuction with //! BoundaryCondition::ControlVolume. double Yleft; @@ -162,6 +165,23 @@ class ConvectionSystemY : public sdODE, public GridBased //! The velocity normal to the flame [m/s]. dvec v; + + //! Kernel computing the upwind-biased advective derivatives. Owned per + //! system instance so that parallel species solvers (run under TBB) never + //! share scratch. + ConvectionDifferencer differencer; + + //! Advective derivative dY/dx at nodes 0..jj-1, written by #differencer. + dvec dYdx; + + //! Dense copy of the current mass-fraction state, needed because the kernel + //! consumes a #dvec while `f()` receives an #sdVector. + dvec yIn; + + //! Node-wise advecting velocity used for upwind branch selection in the + //! quasi-2d case (built from #vrInterp). Kept separate from #v so the + //! boundary rows are unaffected. + dvec vAdv; }; @@ -287,7 +307,8 @@ class ConvectionSystemSplit : public GridBased //! Convection discretization scheme parsed from //! ConfigOptions::convectionScheme in setTolerances(). Stored so it can be - //! propagated to the UTW system (and, in a later task, the species systems). + //! propagated to the UTW system and to each species system (the latter in + //! configureSolver()). ConvectionDifferencer::Scheme convectionScheme; CanteraGas* gas; //!< Cantera object used for computing #Wmx From 53d5cf601d18251a8257c59f025621bb73d6c68e Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sat, 4 Jul 2026 17:15:12 -0400 Subject: [PATCH 13/37] convection: mark task 1.4 complete in plan Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_017CxCXLfj7MZ3qNs5eHXeXZ --- .../plans/2026-07-04-convection-discretization.md | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/docs/superpowers/plans/2026-07-04-convection-discretization.md b/docs/superpowers/plans/2026-07-04-convection-discretization.md index 6092cd3..27db41e 100644 --- a/docs/superpowers/plans/2026-07-04-convection-discretization.md +++ b/docs/superpowers/plans/2026-07-04-convection-discretization.md @@ -255,8 +255,9 @@ public: - Boundary rows (`j=0` inflow balance, `j=jj` outflow) unchanged. **Verification:** -- [ ] Full test suite passes with both scheme settings -- [ ] Commit: `convection: [1.4] species convection on ConvectionDifferencer + quasi-2D velocity fix` +- [x] Full test suite passes with both scheme settings +- [x] Commit: `convection: [1.4] species convection on ConvectionDifferencer + quasi-2D velocity fix` + (firstOrderUpwind parity vs. 30a4c3c bit-identical: x, T, all species) ### Task 1.5: Regression + baseline comparison From 9ba7e97507bebc1eb7ca499e8c7798a846359829 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sat, 4 Jul 2026 17:31:26 -0400 Subject: [PATCH 14/37] convection: [1.5] phase-1 regression + baseline comparison Confirms firstOrderUpwind parity against the Phase 0 baselines (all six curated cases pass compare_baselines.py's 0.02 threshold, five of six at or below the ~1e-6 reproducibility floor) and characterizes secondOrderLimited's deltas (small, physically consistent shifts; no sign changes, negative Y, NaNs, or CVODE step-count blowup). Extends run_baselines.py with a --scheme override flag and a total_convection_steps field (summed from the per-timestep [C: N] debug log lines) to support both checks. Also documents an example_single-specific finding: same-code repeats show termination-time sensitivity (thread-scheduling noise pushes the steady-heat-release termination check to noticeably different sim times), producing run-to-run profile differences larger than the previously-recorded floor for that one case. Not a scheme-induced regression, but flagged for follow-up. Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_017CxCXLfj7MZ3qNs5eHXeXZ --- test/convergence/README.md | 193 ++ ...e_cylindrical_inward_firstOrderUpwind.json | 1517 ++++++++++++ ...cylindrical_inward_secondOrderLimited.json | 1507 ++++++++++++ ..._cylindrical_outward_firstOrderUpwind.json | 1307 +++++++++++ ...ylindrical_outward_secondOrderLimited.json | 1297 +++++++++++ .../example_diffusion_firstOrderUpwind.json | 1929 ++++++++++++++++ .../example_diffusion_secondOrderLimited.json | 1899 +++++++++++++++ ...le_laminarFlameSpeed_firstOrderUpwind.json | 1528 ++++++++++++ ..._laminarFlameSpeed_secondOrderLimited.json | 1628 +++++++++++++ .../example_single_firstOrderUpwind.json | 1999 ++++++++++++++++ .../example_single_firstOrderUpwind_run2.json | 2049 +++++++++++++++++ .../example_single_firstOrderUpwind_run3.json | 1969 ++++++++++++++++ .../example_single_secondOrderLimited.json | 1989 ++++++++++++++++ .../example_twin_firstOrderUpwind.json | 1587 +++++++++++++ .../example_twin_secondOrderLimited.json | 1587 +++++++++++++ test/convergence/run_baselines.py | 70 +- 16 files changed, 24047 insertions(+), 8 deletions(-) create mode 100644 test/convergence/baselines-phase1/example_cylindrical_inward_firstOrderUpwind.json create mode 100644 test/convergence/baselines-phase1/example_cylindrical_inward_secondOrderLimited.json create mode 100644 test/convergence/baselines-phase1/example_cylindrical_outward_firstOrderUpwind.json create mode 100644 test/convergence/baselines-phase1/example_cylindrical_outward_secondOrderLimited.json create mode 100644 test/convergence/baselines-phase1/example_diffusion_firstOrderUpwind.json create mode 100644 test/convergence/baselines-phase1/example_diffusion_secondOrderLimited.json create mode 100644 test/convergence/baselines-phase1/example_laminarFlameSpeed_firstOrderUpwind.json create mode 100644 test/convergence/baselines-phase1/example_laminarFlameSpeed_secondOrderLimited.json create mode 100644 test/convergence/baselines-phase1/example_single_firstOrderUpwind.json create mode 100644 test/convergence/baselines-phase1/example_single_firstOrderUpwind_run2.json create mode 100644 test/convergence/baselines-phase1/example_single_firstOrderUpwind_run3.json create mode 100644 test/convergence/baselines-phase1/example_single_secondOrderLimited.json create mode 100644 test/convergence/baselines-phase1/example_twin_firstOrderUpwind.json create mode 100644 test/convergence/baselines-phase1/example_twin_secondOrderLimited.json diff --git a/test/convergence/README.md b/test/convergence/README.md index d77bbe3..a8f37c9 100644 --- a/test/convergence/README.md +++ b/test/convergence/README.md @@ -142,3 +142,196 @@ Each `baselines/.json` contains: are both preheated to the same temperature) - `profiles` — final `x`, `T`, and mass-fraction profiles for up to 8 "major" species (peak mass fraction >= 1e-3 over the profile, most-abundant first) +- `total_convection_steps` — sum, over every global timestep in the run, of + `ConvectionSystemSplit::getNumSteps()` (see Task 1.5 section below for how + this is derived). `null` if `Debug.timesteps` was off or no log file was + found. + +## Phase 1 regression results (Task 1.5) + +This section records the results of running the curated case set with each +of the two `General.convectionScheme` values and comparing against the +Phase 0 baselines above. Raw JSONs live in `baselines-phase1/*.json` +(filenames suffixed `_firstOrderUpwind` / `_secondOrderLimited`; a couple of +extra `_firstOrderUpwind_run2`/`_run3` repeatability-check files for +`example_single` are also included, see the caveat at the end of this +section). + +### Harness extension: `--scheme` + +`run_baselines.py` gained a `--scheme {firstOrderUpwind,secondOrderLimited}` +flag (default: no override, i.e. whatever each case's config defaults to, +currently `secondOrderLimited`). When given, it sets +`conf.general.convectionScheme.value` for every case in the run before +`conf.validate()`/`conf.evaluate()`, and the resulting `deviations_from_stock` +list and `scheme` JSON field record the override. This required no changes to +`compare_baselines.py`. + +`run_baselines.py` also now sums the per-global-timestep convection CVODE +step counts that `FlameSolver::finishStep()` writes to the log file whenever +`Debug.timesteps` is enabled (the default: `Debug.timesteps = True`), e.g. +lines of the form: + +``` +t = 0.000100 (dt = 1.000e-04) [C: 12] +``` + +The trailing integer is `ConvectionSystemSplit::getNumSteps()`, which is +**reset every global timestep** (`FlameSolver::setState()` reinitializes the +split convection CVODE integrators once per step), so it is a per-step count, +not a running total. `total_convection_steps()` in `run_baselines.py` sums +every occurrence across the run's log file to produce a whole-run total, +recorded in the new `total_convection_steps` JSON field (kept outside the +`scalars` dict so it is not swept into `compare_baselines.py`'s pass/fail +scalar check). + +### Commands used + +``` +pixi run python test/convergence/run_baselines.py \ + --outdir test/convergence/baselines-phase1 \ + --workdir build/test/baselines-work-phase1 \ + --scheme firstOrderUpwind --suffix _firstOrderUpwind + +pixi run python test/convergence/run_baselines.py \ + --outdir test/convergence/baselines-phase1 \ + --workdir build/test/baselines-work-phase1-solim \ + --scheme secondOrderLimited --suffix _secondOrderLimited +``` + +All twelve runs (six cases x two schemes) completed on the first attempt +(no `CVODE Integrator had too many errors` retries needed for the main +sweep; one retry was needed for an incidental third repeatability run of +`example_single`, consistent with the previously-documented flake rate). + +### `firstOrderUpwind` parity vs. Phase 0 + +Compared with `compare_baselines.py --threshold 0.02` (the tool's +pass/fail gate) against `test/convergence/baselines/*.json`: + +| Case | Worst relative diff (scalar or profile norm) | Where | Result | +|-------------------------------|-----------------------------------------------|-------------------|--------| +| example_single | 1.50e-4 | Y_O L-inf | PASS | +| example_diffusion | 1.30e-9 | flame_position | PASS | +| example_twin | 1.31e-5 | Y_O2 profile | PASS | +| example_cylindrical_outward | 1.92e-7 | Y_O2 profile | PASS | +| example_cylindrical_inward | 7.84e-8 | Y_OH profile | PASS | +| example_laminarFlameSpeed | 2.06e-7 | Y_OH profile | PASS | + +All six cases pass with wide margin under the 0.02 gate; five of six are at +or below the ~1e-6 "reproducibility floor" recorded in the Phase 0 README. +`example_single` is the exception — see the caveat below. + +**Caveat — `example_single` termination-time sensitivity (not scheme-specific):** +While investigating why `example_single`'s worst diff (1.5e-4) was ~100x the +1e-6 floor (still comfortably inside the 0.02 gate, but conspicuous), two +extra `firstOrderUpwind` repeats of the *identical* config/commit were run +(`example_single_firstOrderUpwind_run2.json`, `_run3.json`). Their +`final_time` at termination differed noticeably from the first run and from +each other (0.0144 / 0.0186 / 0.0166 s), and pairwise profile comparisons +between these same-code repeats showed differences up to ~14% (Y_OH +L-infinity), i.e. *larger* than the scheme-comparison numbers above. This +case's default termination criterion (`TerminationCondition(measurement='Q')`, +a tight RMS-steadiness check on heat release rate) is evidently sensitive +enough to thread-scheduling floating-point noise that it can trigger at +noticeably different simulated times from run to run — consistent with the +occasional `CVODE Integrator had too many errors` abort already documented +for this exact case in the Phase 0 README (one of the three extra runs hit +this on its first attempt and succeeded on retry). This is a pre-existing +property of the case's termination logic, reproduced identically under +`firstOrderUpwind` alone (no scheme comparison involved), so it is not +evidence of a defect introduced by the convection-scheme change — but it does +mean the ~1e-6 floor documented in Phase 0 does not hold reliably for this +specific case on this machine/build, and any single-run comparison of +`example_single` (in either direction) carries substantially more inherent +noise than the other five cases. Flagged here for visibility; not blocking +per the 0.02 pass/fail gate, but worth keeping in mind for Phase 2 +convergence-study work that reuses this case. + +### `secondOrderLimited` deltas vs. Phase 0 (no pass/fail threshold) + +Scalar relative differences: + +| Case | peak_T | consumption_speed | heat_release_integral | flame_position | +|-----------------------------|----------|--------------------|-------------------------|-----------------| +| example_single | 1.08e-3 | n/a (null) | 3.34e-2 | 7.39e-2 | +| example_diffusion | 1.41e-3 | n/a (null) | 4.95e-3 | 2.06e-2 | +| example_twin | 1.72e-3 | 8.00e-3 | 6.15e-3 | 1.76e-2 | +| example_cylindrical_outward | 4.53e-3 | 3.09e-3 | 8.91e-3 | 1.87e-2 | +| example_cylindrical_inward | 2.43e-3 | 1.68e-2 | 1.73e-2 | 1.50e-3 | +| example_laminarFlameSpeed | 1.06e-3 | 2.98e-2 | 3.20e-2 | 1.22e-3 | + +Profile L2 / L-infinity norms (worst species shown; full output in the +`compare_baselines.py` invocations below): + +| Case | T (L2 / Linf) | Worst species (L2 / Linf) | +|-----------------------------|------------------------|----------------------------------| +| example_single | 0.034 / 0.099 | Y_CO2: 0.039 / 0.116 | +| example_diffusion | 0.0036 / 0.0099 | Y_OH: 0.0030 / 0.0159 | +| example_twin | 0.028 / 0.119 | Y_OH: 0.052 / 0.339 | +| example_cylindrical_outward | 0.014 / 0.051 | Y_OH: 0.031 / 0.146 | +| example_cylindrical_inward | 0.0043 / 0.018 | Y_H2: 0.0095 / 0.037 | +| example_laminarFlameSpeed | 0.011 / 0.084 | Y_O: 0.023 / 0.251 | + +All deltas are consistent with a small, physically-reasonable shift from +adding second-order limited reconstruction: peak temperature moves by +<0.5%, heat release rate integral and consumption speed move by 1-3% +(no sign changes — see below), and the largest pointwise (L-infinity) norms +are concentrated in thin radical layers (OH, O), which is expected: a small +absolute shift in flame position/thickness translates into a large +*normalized, pointwise* error for a species whose profile is a sharp, +narrow spike, even when the underlying physical change is modest (the L2 +norms, which average over the whole domain rather than taking a single +worst point, are 3-10x smaller than the L-infinity values in every case). +`example_twin` also has a different major-species set at the 1e-3 peak-Y +cutoff (`O` in Phase 0 vs. `NO` under `secondOrderLimited`), reflecting a +small shift in trace-radical peak levels rather than a missing/spurious +species. + +**Anomaly checks (per task brief):** +- Sign changes in flame-speed trend: none. `consumption_speed` stays + positive and within ~3% of Phase 0 for all four cases where it's + physically meaningful (`example_twin`, `example_cylindrical_outward`, + `example_cylindrical_inward`, `example_laminarFlameSpeed`). +- Unbounded/negative mass fractions: none found (checked `min(Y) >= 0` for + every captured species profile in every `secondOrderLimited` run). +- NaNs / non-finite values: none (`run_baselines.py` raises on any + non-finite `T`/`Y`; no run raised, and `min(T) >= 300 K` / sane `max(T)` + in all six cases). +- CVODE step-count blowup: none. See step-count table below — the largest + increase is 1.35x (`example_single`), well short of a "blowup." + +### CVODE convection step counts + +Whole-run totals (`total_convection_steps`, see harness extension above), +for all six cases (task requires at least `example_single`/`example_twin`, +included here for all six for completeness): + +| Case | firstOrderUpwind | secondOrderLimited | ratio (2nd/1st) | +|-----------------------------|-------------------|----------------------|------------------| +| example_single | 803,865 | 1,082,716 | 1.35 | +| example_diffusion | 162,713 | 164,043 | 1.01 | +| example_twin | 142,045 | 150,427 | 1.06 | +| example_cylindrical_outward | 143,580 | 168,666 | 1.18 | +| example_cylindrical_inward | 227,462 | 283,964 | 1.25 | +| example_laminarFlameSpeed | 431,872 | 559,069 | 1.30 | + +`secondOrderLimited` consistently takes modestly more convection CVODE steps +(1.0-1.35x) than `firstOrderUpwind`, plausibly reflecting the added +stiffness/nonlinearity of the van Albada flux limiter. No case shows an +order-of-magnitude increase. + +### Reproducing these comparisons + +``` +pixi run python test/convergence/compare_baselines.py \ + test/convergence/baselines/example_single.json \ + test/convergence/baselines-phase1/example_single_firstOrderUpwind.json \ + --threshold 0.02 + +pixi run python test/convergence/compare_baselines.py \ + test/convergence/baselines/example_single.json \ + test/convergence/baselines-phase1/example_single_secondOrderLimited.json \ + --threshold 1.0 # no meaningful gate for this comparison; raises the + # threshold purely to suppress "EXCEEDS THRESHOLD" noise +``` diff --git a/test/convergence/baselines-phase1/example_cylindrical_inward_firstOrderUpwind.json b/test/convergence/baselines-phase1/example_cylindrical_inward_firstOrderUpwind.json new file mode 100644 index 0000000..e59312d --- /dev/null +++ b/test/convergence/baselines-phase1/example_cylindrical_inward_firstOrderUpwind.json @@ -0,0 +1,1517 @@ +{ + "case": "example_cylindrical_inward", + "commit": "53d5cf601d18251a8257c59f025621bb73d6c68e-dirty", + "generated_at_utc": "2026-07-04T21:19:25.725676+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/baselines-work-phase1/ex_cylindrical_inward.log',\n outputDir='build/test/baselines-work-phase1/ex_cylindrical_inward'),\n General(convectionScheme='firstOrderUpwind',\n fixedLeftLocation=True,\n flameGeometry='cylindrical',\n nThreads=4),\n InitialCondition(equivalenceRatio=0.6,\n fuel='CH4:0.5, H2:0.5',\n xLeft=0.0,\n xRight=0.006),\n StrainParameters(final=200,\n initial=200),\n PositionControl(xFinal=0.002,\n xInitial=0.002),\n Times(profileStepInterval=10,\n regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=10))\n", + "deviations_from_stock": [ + "Paths.outputDir/logFile redirected into scratch --outdir (no effect on physics)", + "General.convectionScheme overridden to 'firstOrderUpwind' via --scheme (harness extension for Task 1.5; no other physics changes)" + ], + "scheme": "firstOrderUpwind", + "runtime_seconds": 17.148789644241333, + "final_time": 0.013999999999999766, + "grid_size": 147, + "total_convection_steps": 227462, + "scalars": { + "peak_T": 1711.3573865972342, + "consumption_speed": 0.1771207347047564, + "heat_release_rate_integral": 366615.08455696714, + "flame_position": 0.002030814779016472 + }, + "scalar_notes": {}, + "profiles": { + "x": [ + 0.0, + 0.00012121212121212121, + 0.00024242424242424242, + 0.0003636363636363636, + 0.00048484848484848484, + 0.0006060606060606061, + 0.0007272727272727272, + 0.0008484848484848485, + 0.0009696969696969697, + 0.0010303030303030303, + 0.001090909090909091, + 0.0011515151515151516, + 0.0011818181818181819, + 0.0012121212121212121, + 0.0012424242424242424, + 0.0012878787878787877, + 0.0013106060606060605, + 0.0013484848484848484, + 0.0013636363636363637, + 0.0013863636363636365, + 0.0014015151515151516, + 0.0014166666666666668, + 0.001428030303030303, + 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b/test/convergence/baselines-phase1/example_cylindrical_inward_secondOrderLimited.json @@ -0,0 +1,1507 @@ +{ + "case": "example_cylindrical_inward", + "commit": "53d5cf601d18251a8257c59f025621bb73d6c68e-dirty", + "generated_at_utc": "2026-07-04T21:21:42.984974+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/baselines-work-phase1-solim/ex_cylindrical_inward.log',\n outputDir='build/test/baselines-work-phase1-solim/ex_cylindrical_inward'),\n General(fixedLeftLocation=True,\n flameGeometry='cylindrical',\n nThreads=4),\n InitialCondition(equivalenceRatio=0.6,\n fuel='CH4:0.5, H2:0.5',\n xLeft=0.0,\n xRight=0.006),\n StrainParameters(final=200,\n initial=200),\n PositionControl(xFinal=0.002,\n xInitial=0.002),\n Times(profileStepInterval=10,\n regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=10))\n", + "deviations_from_stock": [ + "Paths.outputDir/logFile redirected into scratch --outdir (no effect on physics)", + "General.convectionScheme overridden to 'secondOrderLimited' via --scheme (harness extension for Task 1.5; no other physics changes)" + ], + "scheme": "secondOrderLimited", + "runtime_seconds": 17.290268898010254, + "final_time": 0.014199999999999758, + "grid_size": 146, + "total_convection_steps": 283964, + "scalars": { + "peak_T": 1715.5330411382147, + "consumption_speed": 0.18015391110262666, + "heat_release_rate_integral": 373083.096747158, + "flame_position": 0.002033858648917793 + }, + "scalar_notes": {}, + "profiles": { + "x": [ + 0.0, + 0.00012121212121212121, + 0.00024242424242424242, + 0.0003636363636363636, + 0.00048484848484848484, + 0.0006060606060606061, + 0.0007272727272727272, + 0.0008484848484848485, + 0.0009696969696969697, + 0.0010303030303030303, + 0.001090909090909091, + 0.0011515151515151516, + 0.0011818181818181819, + 0.0012272727272727272, + 0.0012537878787878788, + 0.00128030303030303, + 0.0013106060606060605, + 0.001340909090909091, + 0.0013674242424242425, + 0.001393939393939394, + 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+ "generated_at_utc": "2026-07-04T21:19:33.973133+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/baselines-work-phase1/ex_cylindrical_outward.log',\n outputDir='build/test/baselines-work-phase1/ex_cylindrical_outward'),\n General(convectionScheme='firstOrderUpwind',\n fixedLeftLocation=True,\n flameGeometry='cylindrical',\n nThreads=4,\n unburnedLeft=False),\n InitialCondition(equivalenceRatio=0.6,\n fuel='CH4:0.5, H2:0.5',\n xLeft=0.0,\n xRight=0.005),\n StrainParameters(final=500,\n initial=500),\n Times(profileStepInterval=10,\n regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=10))\n", + "deviations_from_stock": [ + "Paths.outputDir/logFile redirected into scratch --outdir (no effect on physics)", + "General.convectionScheme overridden to 'firstOrderUpwind' via --scheme (harness extension for Task 1.5; no other physics changes)" + ], + "scheme": "firstOrderUpwind", + "runtime_seconds": 8.210557699203491, + "final_time": 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"2026-07-04T21:21:51.163838+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/baselines-work-phase1-solim/ex_cylindrical_outward.log',\n outputDir='build/test/baselines-work-phase1-solim/ex_cylindrical_outward'),\n General(fixedLeftLocation=True,\n flameGeometry='cylindrical',\n nThreads=4,\n unburnedLeft=False),\n InitialCondition(equivalenceRatio=0.6,\n fuel='CH4:0.5, H2:0.5',\n xLeft=0.0,\n xRight=0.005),\n StrainParameters(final=500,\n initial=500),\n Times(profileStepInterval=10,\n regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=10))\n", + "deviations_from_stock": [ + "Paths.outputDir/logFile redirected into scratch --outdir (no effect on physics)", + "General.convectionScheme overridden to 'secondOrderLimited' via --scheme (harness extension for Task 1.5; no other physics changes)" + ], + "scheme": "secondOrderLimited", + "runtime_seconds": 8.140771865844727, + "final_time": 0.008200000000000002, + "grid_size": 125, + 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InitialCondition(Tfuel=600,\n Toxidizer=600,\n centerWidth=0.002,\n flameType='diffusion',\n fuel='CH4:1.0, N2:2.0',\n slopeWidth=0.001,\n xLeft=-0.004,\n xRight=0.004),\n StrainParameters(final=100,\n initial=100),\n Times(globalTimestep=1e-05,\n profileStepInterval=20),\n TerminationCondition(tEnd=0.01))\n", + "deviations_from_stock": [ + "Paths.outputDir/logFile redirected into scratch --outdir (no effect on physics)", + "General.convectionScheme overridden to 'firstOrderUpwind' via --scheme (harness extension for Task 1.5; no other physics changes)" + ], + "scheme": "firstOrderUpwind", + "runtime_seconds": 21.672823667526245, + "final_time": 0.01000999999999976, + "grid_size": 188, + "total_convection_steps": 162713, + "scalars": { + "peak_T": 1983.347932594222, + "consumption_speed": null, + "heat_release_rate_integral": 183690.09986287996, + "flame_position": 0.0002948893596044752 + }, + "scalar_notes": { + "consumption_speed": "Not physically meaningful for this configuration: the domain boundary temperatures are nearly equal (T[0]=600.00 K, T[-1]=600.00 K), so the premixed consumption-speed formula Q/cp integral / (rho_u*(Tb-Tu)) has a near-zero denominator. Raw solver value (inf) discarded and replaced with null." + }, + "profiles": { + "x": [ + -0.008138597379913997, + -0.007948207039898349, + -0.00782779361610968, + -0.007707380192321011, + -0.007555067920308493, + -0.0074027556482959755, + -0.007210094170234106, + -0.007088244352624092, + -0.006966394535014077, + -0.006812265352564581, + -0.0066581361701150855, + -0.006463176461939063, + -0.006339873115979467, + -0.00621656977001987, + -0.006060602003479052, + -0.005904634236938234, + -0.0057073488834028805, + -0.0055825746701702265, + -0.0054578004569375725, + -0.0052999721741092895, + -0.0051421438912810065, + -0.00494250515010876, + -0.004742866408936513, + -0.004616603782673886, + -0.00449034115641126, + -0.0043306301634734624, + -0.004170919170535666, + -0.004011208177597869, + -0.0038514971846600717, + -0.0037504870836499705, + -0.0036494769826398692, + -0.0035484668816297684, + -0.003447456780619667, + -0.00331968798626943, + -0.003191919191919192, + -0.0030303030303030303, + 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"example_diffusion", + "commit": "53d5cf601d18251a8257c59f025621bb73d6c68e-dirty", + "generated_at_utc": "2026-07-04T21:22:12.810354+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/baselines-work-phase1-solim/ex_diffusion.log',\n outputDir='build/test/baselines-work-phase1-solim/ex_diffusion'),\n General(nThreads=2),\n InitialCondition(Tfuel=600,\n Toxidizer=600,\n centerWidth=0.002,\n flameType='diffusion',\n fuel='CH4:1.0, N2:2.0',\n slopeWidth=0.001,\n xLeft=-0.004,\n xRight=0.004),\n StrainParameters(final=100,\n initial=100),\n Times(globalTimestep=1e-05,\n profileStepInterval=20),\n TerminationCondition(tEnd=0.01))\n", + "deviations_from_stock": [ + "Paths.outputDir/logFile redirected into scratch --outdir (no effect on physics)", + "General.convectionScheme overridden to 'secondOrderLimited' via --scheme (harness extension for Task 1.5; no other physics changes)" + ], + "scheme": "secondOrderLimited", + "runtime_seconds": 21.61871600151062, + "final_time": 0.01000999999999976, + "grid_size": 185, + "total_convection_steps": 164043, + "scalars": { + "peak_T": 1986.1407686328093, + "consumption_speed": null, + "heat_release_rate_integral": 184604.38101698188, + "flame_position": 0.0002888173351867966 + }, + "scalar_notes": { + "consumption_speed": "Not physically meaningful for this configuration: the domain boundary temperatures are nearly equal (T[0]=600.00 K, T[-1]=600.00 K), so the premixed consumption-speed formula Q/cp integral / (rho_u*(Tb-Tu)) has a near-zero denominator. 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--git a/test/convergence/baselines-phase1/example_laminarFlameSpeed_firstOrderUpwind.json b/test/convergence/baselines-phase1/example_laminarFlameSpeed_firstOrderUpwind.json new file mode 100644 index 0000000..79280af --- /dev/null +++ b/test/convergence/baselines-phase1/example_laminarFlameSpeed_firstOrderUpwind.json @@ -0,0 +1,1528 @@ +{ + "case": "example_laminarFlameSpeed", + "commit": "53d5cf601d18251a8257c59f025621bb73d6c68e-dirty", + "generated_at_utc": "2026-07-04T21:20:26.968871+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/baselines-work-phase1/ex_lfs.log',\n outputDir='build/test/baselines-work-phase1/ex_lfs'),\n General(convectionScheme='firstOrderUpwind',\n fixedBurnedVal=False,\n fixedLeftLocation=True,\n nThreads=4),\n Grid(dvtol=0.15,\n gridMax=0.001,\n gridMin=5e-06,\n vtol=0.1),\n InitialCondition(equivalenceRatio=0.9,\n oxidizer='O2:1, N2:3.76',\n xLeft=0.0,\n xRight=0.01),\n StrainParameters(final=0,\n initial=0),\n PositionControl(proportionalGain=2000,\n xFinal=0.005,\n xInitial=0.005),\n Times(profileStepInterval=50),\n TerminationCondition(tolerance=1e-05))\n", + "deviations_from_stock": [ + "Paths.outputDir/logFile redirected into scratch --outdir (no effect on physics)", + "Note (inherited from stock example, not introduced here): conf.validate() prints \"PositionControl can only be used when either 'twinFlame' or 'cylindricalFlame' is set to True. Validation failed.\" This example configures PositionControl on a planar, non-twin flame; the stock example script has this same validation warning and still runs it. Non-fatal; run proceeds.", + "General.convectionScheme overridden to 'firstOrderUpwind' via --scheme (harness extension for Task 1.5; no other physics changes)" + ], + "scheme": "firstOrderUpwind", + "runtime_seconds": 31.26935601234436, + "final_time": 0.014999999999999725, + "grid_size": 148, + "total_convection_steps": 431872, + "scalars": { + "peak_T": 2136.2753242893523, + "consumption_speed": 0.3194129839348879, + "heat_release_rate_integral": 942559.1607883447, + "flame_position": 0.004999748988179382 + }, + "scalar_notes": {}, + "profiles": { + "x": [ + 0.0, + 0.0008080808080808081, + 0.0016161616161616162, + 0.0024242424242424242, + 0.0028282828282828283, + 0.0032323232323232323, + 0.0034343434343434343, + 0.0036363636363636364, + 0.003737373737373737, + 0.0038383838383838384, + 0.0038888888888888888, + 0.00393939393939394, + 0.00398989898989899, + 0.00404040404040404, + 0.004065656565656566, + 0.004090909090909091, + 0.004116161616161617, + 0.004141414141414141, + 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b/test/convergence/baselines-phase1/example_laminarFlameSpeed_secondOrderLimited.json new file mode 100644 index 0000000..75f6017 --- /dev/null +++ b/test/convergence/baselines-phase1/example_laminarFlameSpeed_secondOrderLimited.json @@ -0,0 +1,1628 @@ +{ + "case": "example_laminarFlameSpeed", + "commit": "53d5cf601d18251a8257c59f025621bb73d6c68e-dirty", + "generated_at_utc": "2026-07-04T21:22:29.282069+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/baselines-work-phase1-solim/ex_lfs.log',\n outputDir='build/test/baselines-work-phase1-solim/ex_lfs'),\n General(fixedBurnedVal=False,\n fixedLeftLocation=True,\n nThreads=4),\n Grid(dvtol=0.15,\n gridMax=0.001,\n gridMin=5e-06,\n vtol=0.1),\n InitialCondition(equivalenceRatio=0.9,\n oxidizer='O2:1, N2:3.76',\n xLeft=0.0,\n xRight=0.01),\n StrainParameters(final=0,\n initial=0),\n PositionControl(proportionalGain=2000,\n xFinal=0.005,\n xInitial=0.005),\n Times(profileStepInterval=50),\n TerminationCondition(tolerance=1e-05))\n", + "deviations_from_stock": [ + "Paths.outputDir/logFile redirected into scratch --outdir (no effect on physics)", + "Note (inherited from stock example, not introduced here): conf.validate() prints \"PositionControl can only be used when either 'twinFlame' or 'cylindricalFlame' is set to True. Validation failed.\" This example configures PositionControl on a planar, non-twin flame; the stock example script has this same validation warning and still runs it. Non-fatal; run proceeds.", + "General.convectionScheme overridden to 'secondOrderLimited' via --scheme (harness extension for Task 1.5; no other physics changes)" + ], + "scheme": "secondOrderLimited", + "runtime_seconds": 16.443341493606567, + "final_time": 0.0062000000000000145, + "grid_size": 158, + "total_convection_steps": 559069, + "scalars": { + "peak_T": 2134.019176028605, + "consumption_speed": 0.30988831612956513, + "heat_release_rate_integral": 912357.4861650246, + "flame_position": 0.004993647684393874 + }, + "scalar_notes": {}, + "profiles": { + "x": [ + 0.0, + 0.0008080808080808081, + 0.0016161616161616162, + 0.0024242424242424242, + 0.0032323232323232323, + 0.0036363636363636364, + 0.0038383838383838384, + 0.00393939393939394, + 0.00398989898989899, + 0.00404040404040404, + 0.004090909090909091, + 0.004116161616161617, + 0.004141414141414141, + 0.004166666666666666, + 0.004191919191919191, + 0.004204545454545454, + 0.004217171717171717, + 0.004229797979797979, + 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centerWidth=0.005,\n counterflow='N2:1.0',\n equivalenceRatio=1.0,\n slopeWidth=0.001,\n xLeft=-0.01,\n xRight=0.01),\n StrainParameters(final=300.0,\n initial=300.0))\n", + "deviations_from_stock": [ + "Paths.outputDir/logFile redirected into scratch --outdir (no effect on physics)", + "General.convectionScheme overridden to 'firstOrderUpwind' via --scheme (harness extension for Task 1.5; no other physics changes)" + ], + "scheme": "firstOrderUpwind", + "runtime_seconds": 49.295774698257446, + "final_time": 0.01439999999999975, + "grid_size": 195, + "total_convection_steps": 803865, + "scalars": { + "peak_T": 2112.000031166383, + "consumption_speed": null, + "heat_release_rate_integral": 1002911.8220639388, + "flame_position": 0.0003906637145296103 + }, + "scalar_notes": { + "consumption_speed": "Not physically meaningful for this configuration: the domain boundary temperatures are nearly equal (T[0]=300.00 K, T[-1]=300.00 K), so the premixed consumption-speed formula Q/cp integral / (rho_u*(Tb-Tu)) has a near-zero denominator. Raw solver value (178276871978377.62) discarded and replaced with null." + }, + "profiles": { + "x": [ + -0.002121212121212121, + -0.00202020202020202, + -0.0019065656565656567, + -0.0017929292929292934, + -0.0016982323232323238, + -0.0015782828282828293, + -0.0014772727272727281, + -0.0013257575757575756, + -0.0012499999999999998, + -0.0010858585858585861, + -0.0009406565656565663, + -0.0008333333333333335, + -0.0007260101010101005, + -0.0006249999999999995, + -0.0005176767676767674, + -0.00046717171717171704, + -0.00041666666666666664, + -0.00036616161616161624, + -0.00034090909090909104, + -0.00031565656565656585, + -0.00030303030303030325, + -0.00029040404040404065, + -0.00027777777777777805, + -0.00026515151515151545, + -0.00025252525252525285, + -0.00024621212121212155, + -0.00023989898989899025, + -0.00023358585858585895, + -0.00022727272727272765, + -0.00022095959595959635, + -0.00021464646464646505, + -0.00020833333333333375, + -0.00020202020202020245, + 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newline at end of file diff --git a/test/convergence/baselines-phase1/example_single_firstOrderUpwind_run2.json b/test/convergence/baselines-phase1/example_single_firstOrderUpwind_run2.json new file mode 100644 index 0000000..f37330d --- /dev/null +++ b/test/convergence/baselines-phase1/example_single_firstOrderUpwind_run2.json @@ -0,0 +1,2049 @@ +{ + "case": "example_single", + "commit": "53d5cf601d18251a8257c59f025621bb73d6c68e-dirty", + "generated_at_utc": "2026-07-04T21:24:42.696196+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/baselines-work-phase1/ex_single.log',\n outputDir='build/test/baselines-work-phase1/ex_single'),\n General(convectionScheme='firstOrderUpwind',\n flameGeometry='disc',\n nThreads=4),\n InitialCondition(Tcounterflow=300.0,\n centerWidth=0.005,\n counterflow='N2:1.0',\n equivalenceRatio=1.0,\n slopeWidth=0.001,\n xLeft=-0.01,\n xRight=0.01),\n StrainParameters(final=300.0,\n initial=300.0))\n", + "deviations_from_stock": [ + "Paths.outputDir/logFile redirected into scratch --outdir (no effect on physics)", + "General.convectionScheme overridden to 'firstOrderUpwind' via --scheme (harness extension for Task 1.5; no other physics changes)" + ], + "scheme": "firstOrderUpwind", + "runtime_seconds": 41.95239877700806, + "final_time": 0.01859999999999958, + "grid_size": 200, + "total_convection_steps": 1361624, + "scalars": { + "peak_T": 2111.763924559478, + "consumption_speed": null, + "heat_release_rate_integral": 1001295.2671991467, + "flame_position": 0.0004139095591955389 + }, + "scalar_notes": { + "consumption_speed": "Not physically meaningful for this configuration: the domain boundary temperatures are nearly equal (T[0]=300.00 K, T[-1]=300.00 K), so the premixed consumption-speed formula Q/cp integral / (rho_u*(Tb-Tu)) has a near-zero denominator. 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counterflow='N2:1.0',\n equivalenceRatio=1.0,\n slopeWidth=0.001,\n xLeft=-0.01,\n xRight=0.01),\n StrainParameters(final=300.0,\n initial=300.0))\n", + "deviations_from_stock": [ + "Paths.outputDir/logFile redirected into scratch --outdir (no effect on physics)", + "General.convectionScheme overridden to 'firstOrderUpwind' via --scheme (harness extension for Task 1.5; no other physics changes)" + ], + "scheme": "firstOrderUpwind", + "runtime_seconds": 37.15681457519531, + "final_time": 0.01659999999999966, + "grid_size": 192, + "total_convection_steps": 1250783, + "scalars": { + "peak_T": 2110.8001895473426, + "consumption_speed": null, + "heat_release_rate_integral": 1002188.4961785311, + "flame_position": 0.0004140449676937102 + }, + "scalar_notes": { + "consumption_speed": "Not physically meaningful for this configuration: the domain boundary temperatures are nearly equal (T[0]=300.00 K, T[-1]=300.00 K), so the premixed consumption-speed formula Q/cp integral / (rho_u*(Tb-Tu)) has a near-zero denominator. Raw solver value (-1.0869261621416822e+16) discarded and replaced with null." + }, + "profiles": { + "x": [ + -0.002121212121212121, + -0.00202020202020202, + -0.0019065656565656567, + -0.0017929292929292934, + -0.0016982323232323238, + -0.0015782828282828293, + -0.0014772727272727281, + -0.0013257575757575756, + -0.0012499999999999998, + -0.0010858585858585861, + -0.0009659090909090915, + -0.00077020202020202, + -0.0006423611111111107, + -0.0005555555555555552, + -0.00045454545454545444, + -0.00040404040404040404, + -0.00035353535353535364, + -0.00032828282828282845, + -0.00030303030303030325, + -0.00027777777777777805, + -0.00026515151515151545, + -0.00025252525252525285, + -0.00023989898989899025, + -0.00022727272727272765, + -0.00021464646464646505, + -0.00020833333333333375, + -0.00020202020202020245, + -0.00019570707070707115, + -0.00018939393939393985, + -0.00018308080808080855, + -0.00017676767676767726, + -0.00017045454545454596, + -0.00016414141414141466, + 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nThreads=4),\n InitialCondition(Tcounterflow=300.0,\n centerWidth=0.005,\n counterflow='N2:1.0',\n equivalenceRatio=1.0,\n slopeWidth=0.001,\n xLeft=-0.01,\n xRight=0.01),\n StrainParameters(final=300.0,\n initial=300.0))\n", + "deviations_from_stock": [ + "Paths.outputDir/logFile redirected into scratch --outdir (no effect on physics)", + "General.convectionScheme overridden to 'secondOrderLimited' via --scheme (harness extension for Task 1.5; no other physics changes)" + ], + "scheme": "secondOrderLimited", + "runtime_seconds": 45.04566526412964, + "final_time": 0.012399999999999831, + "grid_size": 194, + "total_convection_steps": 1082716, + "scalars": { + "peak_T": 2109.7096510982274, + "consumption_speed": null, + "heat_release_rate_integral": 969366.339210366, + "flame_position": 0.00036183505715029277 + }, + "scalar_notes": { + "consumption_speed": "Not physically meaningful for this configuration: the domain boundary temperatures are nearly equal (T[0]=300.00 K, T[-1]=300.00 K), so the premixed consumption-speed formula Q/cp integral / (rho_u*(Tb-Tu)) has a near-zero denominator. Raw solver value (2103933317722684.2) discarded and replaced with null." + }, + "profiles": { + "x": [ + -0.0019318181818181821, + -0.0017550505050505055, + -0.0016540404040404047, + -0.001553030303030304, + -0.0014520202020202027, + -0.001351010101010101, + -0.0012499999999999998, + -0.0011363636363636365, + -0.0010353535353535357, + -0.0009343434343434349, + -0.0008333333333333335, + -0.0006439393939393934, + -0.0005239898989898987, + -0.00046717171717171704, + -0.00041666666666666664, + -0.00036616161616161624, + -0.00034090909090909104, + -0.00032828282828282845, + -0.00031565656565656585, + -0.00030303030303030325, + -0.00029040404040404065, + -0.00027777777777777805, + -0.00027146464646464675, + -0.00026515151515151545, + -0.00025883838383838415, + -0.00025252525252525285, + -0.00024621212121212155, + -0.00023989898989899025, + -0.00023358585858585895, + -0.00022727272727272765, + -0.00022095959595959635, + -0.00021464646464646505, + -0.00020833333333333375, + 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a/test/convergence/baselines-phase1/example_twin_firstOrderUpwind.json b/test/convergence/baselines-phase1/example_twin_firstOrderUpwind.json new file mode 100644 index 0000000..4678ebf --- /dev/null +++ b/test/convergence/baselines-phase1/example_twin_firstOrderUpwind.json @@ -0,0 +1,1587 @@ +{ + "case": "example_twin", + "commit": "53d5cf601d18251a8257c59f025621bb73d6c68e-dirty", + "generated_at_utc": "2026-07-04T21:21:31.509380+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/baselines-work-phase1/ex_twin.log',\n outputDir='build/test/baselines-work-phase1/ex_twin'),\n General(convectionScheme='firstOrderUpwind',\n nThreads=4,\n twinFlame=True,\n unburnedLeft=False),\n InitialCondition(equivalenceRatio=0.7,\n xLeft=0.0,\n xRight=0.01),\n StrainParameters(final=100,\n initial=100),\n TerminationCondition(tEnd=10))\n", + "deviations_from_stock": [ + "Paths.outputDir/logFile redirected into scratch --outdir (no effect on physics)", + "General.convectionScheme overridden to 'firstOrderUpwind' via --scheme (harness extension for Task 1.5; no other physics changes)" + ], + "scheme": "firstOrderUpwind", + "runtime_seconds": 15.190206527709961, + "final_time": 0.008799999999999978, + "grid_size": 154, + "total_convection_steps": 142045, + "scalars": { + "peak_T": 1839.5719302117861, + "consumption_speed": 0.1720206416536532, + "heat_release_rate_integral": 410270.8850962721, + "flame_position": 0.004993287813454701 + }, + "scalar_notes": {}, + "profiles": { + "x": [ + 0.0, + 9.757718128336723e-05, + 0.0002972159224556134, + 0.0003970352930417365, + 0.0004968546636278596, + 0.0006231172898904858, + 0.0007493799161531121, + 0.0009090909090909091, + 0.00101010101010101, + 0.0011111111111111111, + 0.0012121212121212121, + 0.0013131313131313131, + 0.0014141414141414141, + 0.0015151515151515152, + 0.0016161616161616162, + 0.0017171717171717172, + 0.0018181818181818182, + 0.0019191919191919192, + 0.00202020202020202, + 0.002121212121212121, + 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Paths(logFile='build/test/baselines-work-phase1-solim/ex_twin.log',\n outputDir='build/test/baselines-work-phase1-solim/ex_twin'),\n General(nThreads=4,\n twinFlame=True,\n unburnedLeft=False),\n InitialCondition(equivalenceRatio=0.7,\n xLeft=0.0,\n xRight=0.01),\n StrainParameters(final=100,\n initial=100),\n TerminationCondition(tEnd=10))\n", + "deviations_from_stock": [ + "Paths.outputDir/logFile redirected into scratch --outdir (no effect on physics)", + "General.convectionScheme overridden to 'secondOrderLimited' via --scheme (harness extension for Task 1.5; no other physics changes)" + ], + "scheme": "secondOrderLimited", + "runtime_seconds": 13.470969676971436, + "final_time": 0.007800000000000019, + "grid_size": 154, + "total_convection_steps": 150427, + "scalars": { + "peak_T": 1842.7387145621387, + "consumption_speed": 0.17064656478466056, + "heat_release_rate_integral": 407751.4119000777, + "flame_position": 0.0049055163692836076 + }, + "scalar_notes": {}, + "profiles": { + 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b/test/convergence/run_baselines.py index 249c6d3..f7af0c5 100644 --- a/test/convergence/run_baselines.py +++ b/test/convergence/run_baselines.py @@ -24,6 +24,7 @@ import datetime import json import os +import re import subprocess import sys import time @@ -218,12 +219,53 @@ def select_major_species(species_names, Y): return [species_names[i] for i in selected] -def run_case(name, work_dir): + +# Matches the per-global-timestep debug log line written by FlameSolver when +# Debug.timesteps is enabled (the default), e.g.: +# t = 0.000100 (dt = 1.000e-04) [C: 12] +# The trailing integer is ConvectionSystemSplit::getNumSteps(), i.e. the +# number of CVODE steps taken by the split convection sub-integrators +# *since the last reinitialization* (which happens once per global +# timestep in FlameSolver::setState). It is therefore a per-step count, not +# a running total; to get a whole-run total we sum every occurrence in the +# log file. +CONVECTION_STEPS_RE = re.compile(r'\[C:\s*(\d+)\]') + + +def total_convection_steps(log_path): + """Sum the per-timestep convection CVODE step counts logged when + Debug.timesteps is enabled, across an entire run's log file. Returns + None if the log file is missing or contains no matching lines (e.g. + Debug.timesteps was disabled).""" + if not log_path or not os.path.isfile(log_path): + return None + total = 0 + found = False + with open(log_path) as f: + for line in f: + m = CONVECTION_STEPS_RE.search(line) + if m: + found = True + total += int(m.group(1)) + return total if found else None + + +def run_case(name, work_dir, scheme=None): build_fn = CASES[name] conf, deviations = build_fn(work_dir) deviations = (['Paths.outputDir/logFile redirected into scratch --outdir ' '(no effect on physics)'] + deviations) + if scheme is not None: + conf.general.convectionScheme.value = scheme + conf.general.convectionScheme.isSet = True + deviations.append( + 'General.convectionScheme overridden to %r via --scheme ' + '(harness extension for Task 1.5; no other physics changes)' + % scheme) + + log_path = conf.paths.logFile.value + conf.validate() concrete = conf.evaluate() @@ -276,13 +318,17 @@ def scalar_or_none(value): 'generated_at_utc': datetime.datetime.now(datetime.timezone.utc).isoformat(), 'config_summary': conf.stringify(), 'deviations_from_stock': deviations, - # The convection discretization scheme option does not exist yet at - # this commit (Phase 0, pre-implementation baseline). Once Phase 1 - # adds a `scheme` option to General, it should be recorded here. - 'scheme': None, + # Convection discretization scheme actually used for this run + # (General.convectionScheme, post any --scheme override). + 'scheme': scheme if scheme is not None else concrete.general.convectionScheme, 'runtime_seconds': runtime, 'final_time': float(solver.tNow), 'grid_size': int(len(x)), + # Sum of the per-global-timestep convection CVODE step counts (see + # total_convection_steps() above); None if Debug.timesteps was off + # or the log file wasn't found. Not included under 'scalars' so it + # is not swept into compare_baselines.py's scalar pass/fail check. + 'total_convection_steps': total_convection_steps(log_path), 'scalars': { 'peak_T': peak_T, 'consumption_speed': consumption_speed, @@ -317,6 +363,12 @@ def main(): 'execution (observed thread-scheduling nondeterminism, ' 'see README.md); retrying is usually sufficient. ' '(default: 3)') + parser.add_argument('--scheme', choices=['firstOrderUpwind', 'secondOrderLimited'], + default=None, + help='Override General.convectionScheme for every case in this ' + 'run (harness extension added for Task 1.5). Default: no ' + 'override, i.e. use each case\'s configured default ' + '(currently secondOrderLimited).') args = parser.parse_args() os.makedirs(args.outdir, exist_ok=True) @@ -329,16 +381,18 @@ def main(): while True: attempt += 1 try: - result = run_case(name, args.workdir) + result = run_case(name, args.workdir, scheme=args.scheme) break except Exception as exc: print(' attempt %d/%d failed: %r' % (attempt, args.retries, exc)) if attempt >= args.retries: raise result['attempts'] = attempt - print(' finished in %.1f s (attempts=%d, final_time=%.5g, grid_size=%d, peak_T=%.1f)' + print(' finished in %.1f s (attempts=%d, final_time=%.5g, grid_size=%d, ' + 'peak_T=%.1f, scheme=%s, convection_steps=%s)' % (result['runtime_seconds'], attempt, result['final_time'], - result['grid_size'], result['scalars']['peak_T'])) + result['grid_size'], result['scalars']['peak_T'], + result['scheme'], result['total_convection_steps'])) out_path = os.path.join(args.outdir, name + args.suffix + '.json') with open(out_path, 'w') as f: json.dump(result, f, indent=2) From 3ade3428e18f5c9296949abe4c311ab88d98a898 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sat, 4 Jul 2026 17:35:40 -0400 Subject: [PATCH 15/37] convection: mark task 1.5 complete in plan Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_017CxCXLfj7MZ3qNs5eHXeXZ --- .../plans/2026-07-04-convection-discretization.md | 8 +++++--- 1 file changed, 5 insertions(+), 3 deletions(-) diff --git a/docs/superpowers/plans/2026-07-04-convection-discretization.md b/docs/superpowers/plans/2026-07-04-convection-discretization.md index 27db41e..1ab6272 100644 --- a/docs/superpowers/plans/2026-07-04-convection-discretization.md +++ b/docs/superpowers/plans/2026-07-04-convection-discretization.md @@ -279,11 +279,13 @@ public: `example_twin`. **Steps:** -- [ ] Run both scheme settings across the case set; write comparison report +- [x] Run both scheme settings across the case set; write comparison report into README (tables of scalar deltas + step counts) -- [ ] Verify `firstOrderUpwind` parity; investigate/fix any mismatch before +- [x] Verify `firstOrderUpwind` parity; investigate/fix any mismatch before proceeding (bit-identical expectation modulo thread noise) -- [ ] Commit: `convection: [1.5] phase-1 regression + baseline comparison` + (5/6 cases at 1e-9..1e-5; example_single 1.5e-4 — within its + demonstrated run-to-run noise; caveat documented in README) +- [x] Commit: `convection: [1.5] phase-1 regression + baseline comparison` **Phase 1 exit criteria:** all unit + regression tests pass with both schemes; `firstOrderUpwind` parity confirmed; `secondOrderLimited` results From bdfc217a8b56ef1dad2c587bb292ff0adaf8b6dc Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sat, 4 Jul 2026 22:40:30 -0400 Subject: [PATCH 16/37] convection: [review] phase-1 review fixes + continuity-BC smoke tests Close the final whole-branch review findings: smoke-test the previously never-executed stagnationPoint/fixedTemperature continuity branches under both convection schemes (4/4 pass, results in test/convergence/README.md), fix the stale species-propagation comment, document the Temp-BC anchor's first-order inversion under secondOrderLimited (accepted per spec 3.2), and reconcile the ConvectionDifferencer::resize() doc with the defensive self-sizing fallback. Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_017CxCXLfj7MZ3qNs5eHXeXZ --- src/convectionDifferencer.h | 9 +- src/convectionSystem.cpp | 13 ++- test/convergence/README.md | 54 +++++++++ test/convergence/smoke_continuity_bc.py | 141 ++++++++++++++++++++++++ 4 files changed, 212 insertions(+), 5 deletions(-) create mode 100644 test/convergence/smoke_continuity_bc.py diff --git a/src/convectionDifferencer.h b/src/convectionDifferencer.h index b4d3659..780fd9b 100644 --- a/src/convectionDifferencer.h +++ b/src/convectionDifferencer.h @@ -30,8 +30,13 @@ class ConvectionDifferencer //! Select the active discretization scheme. void setScheme(Scheme s); - //! Size the internal limiter scratch vector. Must be called with the - //! current number of grid points before computeDerivatives(). + //! Size the internal limiter scratch vector. This is the intended + //! pre-allocation entry point: call it with the current number of grid + //! points before computeDerivatives() to avoid a reallocation on first + //! use. computeDerivatives() also self-sizes the scratch vector + //! defensively if it is ever found to be the wrong size (e.g. after a + //! regrid where resize() was not called again), so calling it is not + //! strictly required for correctness, only for avoiding that fallback. void resize(size_t nPoints); //! Compute the advective derivative \f$ dy/dx \f$ at nodes `0 .. jj-1`. diff --git a/src/convectionSystem.cpp b/src/convectionSystem.cpp index 69f1056..2d23647 100644 --- a/src/convectionSystem.cpp +++ b/src/convectionSystem.cpp @@ -81,7 +81,13 @@ int ConvectionSystemUTW::f(const realtype t, const sdVector& y, sdVector& ydot) if (continuityBC == ContinuityBoundaryCondition::Temp) { size_t j = jContBC; // Find value of rV[jContBC] such that dTdt[jContBC] == 0, per later - // calculation of dTdt + // calculation of dTdt. This inversion is always derived from the + // first-order upwind dTdx relation (rV*dTdx == splitConstT), even + // when `scheme` is SecondOrderLimited, which uses the limited + // 2nd-order dTdx below to actually advance dTdt. That means the + // dT/dt(jContBC) == 0 anchor holds exactly under FirstOrderUpwind + // but only approximately under SecondOrderLimited -- an accepted + // discrepancy (spec Sec 3.2), not a bug. if (j == 0 || splitConstT[j] / (T[j+1] - T[j]) < 0) { rV[j] = rphalf[j] * rho[j] * splitConstT[j] * hh[j] / (T[j+1] - T[j]); } else { @@ -489,8 +495,9 @@ void ConvectionSystemSplit::setTolerances(const ConfigOptions& options) abstolY = options.integratorSpeciesAbsTol; // Parse the convection discretization scheme once. The parsed value is - // stored so it can also be propagated to the species systems (a later - // task); here it is applied to the UTW system. + // stored so it can be propagated to each species system as it is + // configured (see configureSolver()); here it is applied to the UTW + // system. if (options.convectionScheme == "secondOrderLimited") { convectionScheme = ConvectionDifferencer::Scheme::SecondOrderLimited; } else if (options.convectionScheme == "firstOrderUpwind") { diff --git a/test/convergence/README.md b/test/convergence/README.md index a8f37c9..90bda43 100644 --- a/test/convergence/README.md +++ b/test/convergence/README.md @@ -335,3 +335,57 @@ pixi run python test/convergence/compare_baselines.py \ --threshold 1.0 # no meaningful gate for this comparison; raises the # threshold purely to suppress "EXCEEDS THRESHOLD" noise ``` + +### Continuity-BC smoke tests (final whole-branch review fix) + +All six curated cases above (and the Task 1.5 sweep) use the default +`General.continuityBC='fixedLeft'`. The `stagnationPoint` and +`fixedTemperature` continuity boundary conditions +(`ContinuityBoundaryCondition::Zero` / `::Temp` in `convectionSystem.cpp`) +take a structurally different path through `ConvectionSystemUTW::f()` — the +`rV` march runs forward *and* backward from an interior `jContBC` rather than +forward from `rV[0]` — and, per the final whole-branch review, had never +actually executed under the new `secondOrderLimited` trapezoidal march before +this check (nor, for that matter, under `firstOrderUpwind`, since no test or +baseline configures anything other than `fixedLeft`). + +This was a does-it-execute-sanely smoke check, not a physics/convergence +study: four short runs (`continuityBC` in `{stagnationPoint, +fixedTemperature}` x `convectionScheme` in `{secondOrderLimited, +firstOrderUpwind}`), each based on `TestPremixedStrained` from +`test/python/test_flame_configs.py` (H2/O2/Ar premixed counterflow flame, +`h2o2.yaml` mechanism, `nThreads=1`) with `TerminationCondition(tEnd=0.006, +measurement=None)` — at the default `globalTimestep=2e-5 s` this is ~300 +global timesteps, enough for the flame to develop a real interior stagnation +point and temperature gradient (both BCs need one to lock onto) while +staying fast. `fixedTemperature` requires `General.splittingMethod +='balanced'`, which is already Ember's default, so no extra config was +needed. Script: `test/convergence/smoke_continuity_bc.py` (`pixi run python +test/convergence/smoke_continuity_bc.py`). + +Pass criteria: run completes without exception, finite T/Y throughout, and +peak T within 250-3000 K. + +| continuityBC | convectionScheme | Completed | final_time | grid_size | peak_T (K) | min_T (K) | finite | +|--------------------|---------------------|-----------|------------|-----------|------------|-----------|--------| +| stagnationPoint | secondOrderLimited | yes | 0.006 | 65 | 1592.5 | 300.0 | yes | +| stagnationPoint | firstOrderUpwind | yes | 0.006 | 60 | 1516.7 | 300.0 | yes | +| fixedTemperature | secondOrderLimited | yes | 0.006 | 68 | 1557.2 | 300.0 | yes | +| fixedTemperature | firstOrderUpwind | yes | 0.006 | 67 | 1538.2 | 300.0 | yes | + +All four runs completed on the first attempt (no CVODE retries needed; the +whole matrix was also re-run once in full as a repeatability check with +identical qualitative results). No NaN/Inf in any T or Y profile; all peak +temperatures are well inside the 250-3000 K physical bound. Qualitative +scheme comparison: `secondOrderLimited` vs. `firstOrderUpwind` peak-T +differs by ~5.0% for `stagnationPoint` and ~1.2% for `fixedTemperature` — +larger than the ~0.1-0.5% seen in the fully-converged Task 1.5 sweep above, +but expected here: these are short, still-transient runs (fixed `tEnd` +rather than a steady-state termination criterion), so a modest shift in +front position/speed from the different convection discretization is +amplified relative to a converged profile. Neither BC nor either scheme +shows a wild divergence, a sign flip, or any instability symptom (grid size, +`min_T`, and `finite` are all consistent across the matrix), so both +previously-unexercised branches are confirmed to execute sanely under both +convection schemes. No numerics bug found; this closes the residual test-gap +item from the final whole-branch review. diff --git a/test/convergence/smoke_continuity_bc.py b/test/convergence/smoke_continuity_bc.py new file mode 100644 index 0000000..95ed735 --- /dev/null +++ b/test/convergence/smoke_continuity_bc.py @@ -0,0 +1,141 @@ +#!/usr/bin/env python +""" +Smoke test for the never-exercised continuity-BC branches of the +trapezoidal (SecondOrderLimited) continuity march in ConvectionSystemUTW::f(). + +Context: every case in run_baselines.py / test_flame_configs.py uses the +default General.continuityBC='fixedLeft'. The `stagnationPoint` and +`fixedTemperature` branches (ContinuityBoundaryCondition::Zero / ::Temp in +convectionSystem.cpp) run a structurally different rV march (forward from +jContBC AND backward from jContBC, vs. a single forward march from rV[0] for +fixedLeft) and had never actually executed under the new `secondOrderLimited` +trapezoidal scheme before this smoke test. This script is a does-it-execute- +sanely check (short runs), not a physics/convergence study -- see +test/convergence/README.md "Phase 1 review fixes" section for the results. + +Matrix: continuityBC in {stagnationPoint, fixedTemperature} x + convectionScheme in {secondOrderLimited, firstOrderUpwind} + = 4 short runs. + +Base config: a lightly modified version of TestPremixedStrained from +test/python/test_flame_configs.py (H2/O2/Ar premixed counterflow flame, +h2o2.yaml mechanism -- small and fast), with tEnd shortened only enough to +keep each run in the "few hundred timesteps" range while still letting the +solver reach a well-developed profile with an interior stagnation point and +temperature gradient (needed for the BCs under test to have something +meaningful to lock onto). fixedTemperature requires +General.splittingMethod='balanced', which is already Ember's default, so no +extra options are needed beyond continuityBC itself. + +Usage: + pixi run python test/convergence/smoke_continuity_bc.py +""" + +import os +import sys +import traceback + +import numpy as np + +REPO_ROOT = os.path.abspath(os.path.join(os.path.dirname(__file__), '..', '..')) +sys.path.insert(0, os.path.join(REPO_ROOT, 'python')) + +from ember import (Config, Paths, General, Chemistry, InitialCondition, + StrainParameters, Grid, Times, TerminationCondition) + +WORK_DIR = os.path.join(REPO_ROOT, 'build', 'test', 'smoke-continuity-bc') + +MATRIX = [ + ('stagnationPoint', 'secondOrderLimited'), + ('stagnationPoint', 'firstOrderUpwind'), + ('fixedTemperature', 'secondOrderLimited'), + ('fixedTemperature', 'firstOrderUpwind'), +] + + +def build_config(continuity_bc, scheme): + tag = '%s_%s' % (continuity_bc, scheme) + output = os.path.join(WORK_DIR, tag) + conf = Config( + Paths(outputDir=output, logFile=output + '.log'), + General(nThreads=1, + continuityBC=continuity_bc, + convectionScheme=scheme), + Chemistry(mechanismFile='h2o2.yaml'), + InitialCondition(fuel='H2:1.0', + oxidizer='O2:1.0, AR:4.0', + equivalenceRatio=0.3), + StrainParameters(initial=800, final=800), + Grid(vtol=0.2, dvtol=0.3), + Times(regridStepInterval=10), + TerminationCondition(tEnd=0.006, measurement=None)) + return conf + + +def run_one(continuity_bc, scheme): + conf = build_config(continuity_bc, scheme) + result = { + 'continuityBC': continuity_bc, + 'scheme': scheme, + 'completed': False, + 'error': None, + 'final_time': None, + 'grid_size': None, + 'peak_T': None, + 'min_T': None, + 'finite': None, + } + try: + ok = conf.validate() + if not ok: + result['error'] = 'conf.validate() returned False' + return result + concrete = conf.evaluate() + solver = concrete.run() + T = np.asarray(solver.T) + Y = np.asarray(solver.Y) + finite = bool(np.all(np.isfinite(T)) and np.all(np.isfinite(Y))) + result['completed'] = True + result['final_time'] = float(solver.tNow) + result['grid_size'] = int(len(np.asarray(solver.x))) + result['peak_T'] = float(np.max(T)) if finite else float('nan') + result['min_T'] = float(np.min(T)) if finite else float('nan') + result['finite'] = finite + except Exception as exc: + result['error'] = '%r\n%s' % (exc, traceback.format_exc()) + return result + + +def main(): + os.makedirs(WORK_DIR, exist_ok=True) + results = [] + for continuity_bc, scheme in MATRIX: + print('=== continuityBC=%s scheme=%s ===' % (continuity_bc, scheme)) + result = run_one(continuity_bc, scheme) + results.append(result) + if result['completed']: + print(' completed: final_time=%.5g grid_size=%d peak_T=%.1f ' + 'min_T=%.1f finite=%s' + % (result['final_time'], result['grid_size'], + result['peak_T'], result['min_T'], result['finite'])) + else: + print(' FAILED: %s' % result['error']) + + print() + print('%-20s %-18s %-10s %-10s %-8s %-8s' % + ('continuityBC', 'scheme', 'completed', 'final_t', 'peak_T', 'finite')) + any_fail = False + for r in results: + ok = r['completed'] and r['finite'] and 250 <= (r['peak_T'] or -1) <= 3000 + if not ok: + any_fail = True + print('%-20s %-18s %-10s %-10s %-8s %-8s' % + (r['continuityBC'], r['scheme'], r['completed'], + '%.4g' % r['final_time'] if r['final_time'] is not None else 'n/a', + '%.1f' % r['peak_T'] if r['peak_T'] is not None else 'n/a', + r['finite'])) + sys.exit(1 if any_fail else 0) + + +if __name__ == '__main__': + main() From 8bd96385b35fa7370943aeecf20ba392726c4989 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sat, 4 Jul 2026 22:51:58 -0400 Subject: [PATCH 17/37] convection: [2.1] convergence study scripts MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Add run_convergence.py (case/scheme/rung-selectable harness for the spec §6.4 grid-convergence study: strained/twin/cylindrical cases, 6-rung vtol/dvtol/gridMax ladder, --damp-const trial support) and plot_convergence.py (error-vs-N plots referenced to the finest secondOrderLimited run). Smoke-tested the coarsest rung of all three cases; full study matrix is Task 2.2. Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_017CxCXLfj7MZ3qNs5eHXeXZ --- test/convergence/README.md | 227 ++++++++++++++++++ test/convergence/plot_convergence.py | 147 ++++++++++++ test/convergence/results/.gitkeep | 0 test/convergence/run_convergence.py | 343 +++++++++++++++++++++++++++ 4 files changed, 717 insertions(+) create mode 100644 test/convergence/plot_convergence.py create mode 100644 test/convergence/results/.gitkeep create mode 100644 test/convergence/run_convergence.py diff --git a/test/convergence/README.md b/test/convergence/README.md index 90bda43..96f247b 100644 --- a/test/convergence/README.md +++ b/test/convergence/README.md @@ -13,6 +13,15 @@ implementation plan, Phase 1 onward). profile L2/L-infinity norms on a common interpolated grid) against a pass/fail threshold. - `baselines/*.json` — the captured baseline outputs (committed to git). +- `smoke_continuity_bc.py` — does-it-execute-sanely smoke check for the + `stagnationPoint`/`fixedTemperature` continuity BCs (see "Continuity-BC + smoke tests" section below). +- `run_convergence.py` / `plot_convergence.py` — the Task 2.2 grid-convergence + study harness (Task 2.1 builds these scripts and smoke-tests them; Task 2.2 + runs the full matrix). See "Grid-convergence study (Task 2.1/2.2)" below. +- `results/` — output directory for `run_convergence.py` JSON files. Empty + (placeholder `.gitkeep` only) as of Task 2.1; the full study's results are + committed here in Task 2.2. ## Curated cases @@ -389,3 +398,221 @@ shows a wild divergence, a sign flip, or any instability symptom (grid size, previously-unexercised branches are confirmed to execute sanely under both convection schemes. No numerics bug found; this closes the residual test-gap item from the final whole-branch review. + +## Grid-convergence study (Task 2.1/2.2) + +This section documents `run_convergence.py` and `plot_convergence.py`, the +harness for the grid-convergence study required by spec §6.4. **Task 2.1 +(this task) writes and smoke-tests these scripts; it does not run the full +study matrix.** Task 2.2 runs the complete (case x scheme x rung) sweep and +commits the results. + +### Cases + +Three cases, chosen to cover both convection-BC families named in spec §6.4 +(`ConvectionSystemUTW::f()`'s two branches over `grid.leftBC`) with a fixed +strain rate and composition per case (only the grid tolerances vary across +rungs): + +| Case | `--case` | Composition / strain | Left BC | Right BC | Geometry | +|---|---|---|---|---|---| +| A | `strained` | H2:1.0 / O2:1.0,AR:4.0, phi=0.3, a=800/s | `ZeroGradient` | `FixedValue` | planar, alpha=0 | +| B1 | `twin` | CH4:1.0/air, phi=0.70, a=100/s | `ControlVolume` | `FixedValue` | planar/twin, alpha=0 | +| B2 | `cylindrical` | CH4:0.5,H2:0.5/air, phi=0.60, a=500/s | `ControlVolume` | `FixedValue` | cylindrical, alpha=1 | + +- **`strained`** (Case A, "unbounded"): `General(unburnedLeft=False, + fixedBurnedVal=False)` on the default planar geometry. Tracing + `FlameSolver::updateBC()` (src/flameSolver.cpp:619-638) and + `OneDimGrid::updateBoundaryIndices()` (src/grid.cpp:839-846): with + `unburnedLeft=False`, `jb=0` (burned/product index) and `ju=jj` + (unburned/reactant index); with `fixedBurnedVal=False` and this being + neither a twin nor a cylindrical flame, the left-boundary branch falls + through every special case (not `WallFlux`, not `ju==0`, not `jb==0 && + fixedBurnedVal`, not twin/cylindrical centering) to the `else`: + `BoundaryCondition::ZeroGradient` — an open, unclamped product-side + boundary that the adaptive grid can extend outward as needed ("unbounded"). + The right boundary (`ju==jj`, the physical reactant inlet) stays + `BoundaryCondition::FixedValue`. This is the literal `FixedValue`/ + `ZeroGradient` pairing spec §6.4 names for Case A, and it is structurally + distinct from Case B's `ControlVolume` inflow-balance path. Composition and + strain rate follow `TestPremixedStrained` + (test/python/test_flame_configs.py) and `smoke_continuity_bc.py`. +- **`twin`** (Case B1): `General(twinFlame=True, unburnedLeft=False)`, which + resolves to `BoundaryCondition::ControlVolume` at the symmetry/stagnation + plane (x=0). Physical setup follows `example_twin.py` / + `case_twin` in `run_baselines.py`. +- **`cylindrical`** (Case B2): `General(flameGeometry='cylindrical', + unburnedLeft=False, fixedLeftLocation=True)`, i.e. curvature parameter + `alpha=1` in `OneDimGrid` (vs. `alpha=0` for the planar cases above). Also + resolves to `ControlVolume`, exercising the curved-geometry (`rphalf` + weighting) path instead of the planar-twin path. Physical setup follows + `example_cylindrical_outward.py` / `case_cylindrical_outward` in + `run_baselines.py`. + +All three use `General(nThreads=1)` for run-to-run determinism (the +baseline harness's thread-scheduling noise, documented above, is an +unwanted confound for a convergence-order study). `strained` uses the small +`h2o2.yaml` mechanism (fast); `twin`/`cylindrical` use the stock `gri30.yaml` +mechanism matching their source examples. Termination is measurement-based +in all three cases (steady state, not a fixed `tEnd`): `strained` and +`cylindrical` use `TerminationCondition(measurement='dTdt')` explicitly; +`twin` relies on the default `measurement='Q'` (as in `example_twin.py`, +which only overrides `tEnd` as a hard cap). `tEnd` is set generously in each +case as a safety cap, not the expected termination trigger. + +### Resolution ladder + +Six rungs (`RUNGS` in `run_convergence.py`), index 0 (coarsest) to 5 +(finest), sweeping `Grid(vtol, dvtol, gridMax)` together (each rung also +scales `gridMax` down so the max-spacing cap doesn't become the binding +constraint before `vtol`/`dvtol` do): + +| rung | vtol | dvtol | gridMax | +|---|---|---|---| +| 0 | 0.24 | 0.40 | 4.0e-4 | +| 1 | 0.16 | 0.27 | 2.5e-4 | +| 2 | 0.11 | 0.18 | 1.6e-4 | +| 3 | 0.075 | 0.12 | 1.0e-4 | +| 4 | 0.050 | 0.080 | 6.3e-5 | +| 5 | 0.033 | 0.055 | 4.0e-5 | + +`vtol`/`dvtol` shrink by a factor of ~1.5x per rung (~7.3x coarsest to +finest). This is a **nominal** ladder: run_convergence.py defines >= 5 rungs +intended to span roughly a 4x range in N per spec §6.4, but the actual N +achieved by each rung is configuration-dependent (a thin, highly-strained +flame needs more points per unit `vtol` than a slow one) and was not +verified end-to-end for all rungs under Task 2.1 (only rung 0 was +smoke-tested per case, see below). **Task 2.2 should confirm the achieved N +values actually span roughly 4x-8x and retune the `RUNGS` table (values +only, keep 6 rungs) if a case's ladder is off**, e.g. if two adjacent rungs +happen to produce the same N (redundant) or the span comes out much +narrower/wider than intended. + +`--damp-const X` overrides `Grid.dampConst` (default 7) for a single run, +independent of the rung ladder — this is spec §6.4's "trial with relaxed +`dampConst` to quantify the achievable grid coarsening", run as a one-off +comparison against the matching (case, scheme, rung) run without the +override, not swept across all rungs. + +### Usage + +``` +# List the rung ladder +pixi run python test/convergence/run_convergence.py --list-rungs + +# Run every rung for one (case, scheme) pair (Task 2.2 usage) +pixi run python test/convergence/run_convergence.py \ + --case strained --scheme secondOrderLimited + +# Run a single rung (e.g. for a smoke test) +pixi run python test/convergence/run_convergence.py \ + --case strained --scheme secondOrderLimited --rung 0 + +# Run an explicit subset of rungs +pixi run python test/convergence/run_convergence.py \ + --case twin --scheme firstOrderUpwind --rungs 0 2 4 + +# One-off relaxed-dampConst trial +pixi run python test/convergence/run_convergence.py \ + --case cylindrical --scheme secondOrderLimited --rung 3 --damp-const 15 +``` + +Full option list: `--case {strained,twin,cylindrical}` and `--scheme +{firstOrderUpwind,secondOrderLimited}` (both required unless `--list-rungs` +is given), `--damp-const X`, `--rung N` / `--rungs N [N ...]` (default: all +6 rungs), `--outdir` (default `test/convergence/results`), `--workdir` +(default `build/test/convergence-work`), `--retries` (default 3, same +retry-on-exception behavior as `run_baselines.py` — see the known-flake note +below). + +Output: one JSON file per run, +`/__rung[_damp].json`. + +### JSON schema (`run_convergence.py` output) + +- `case`, `scheme`, `rung`, `damp_const` (`null` unless `--damp-const` given) +- `commit`, `generated_at_utc`, `config_summary` — provenance, same + convention as `run_baselines.py` +- `grid_tolerances` — `vtol`, `dvtol`, `gridMax`, `gridMin`, `dampConst`, read + back from the concrete (post-`evaluate()`) config, i.e. the tolerances + actually used, not just the rung table's nominal values +- `N` — final grid size (`len(solver.x)`) +- `scalars.consumption_speed`, `scalars.peak_T` — the two convergence + metrics required by spec §6.4; `consumption_speed` is `null` (with a note + in `scalar_notes`) if the domain's two boundary temperatures are nearly + equal, mirroring `run_baselines.py`'s guard (not expected for any of these + three cases' physical setups, but checked defensively) +- `total_convection_steps` — whole-run sum of the per-global-timestep + `ConvectionSystemSplit::getNumSteps()` log values, via the same + `total_convection_steps()`/regex helper `run_convergence.py` imports from + `run_baselines.py` +- `runtime_seconds` — wall-clock time for the run +- `final_time` — solver's `tNow` at termination +- `attempts` — number of attempts needed (see retry note below) + +### Plotting + +``` +pixi run python test/convergence/plot_convergence.py \ + [--cases strained twin cylindrical] \ + [--resultsdir test/convergence/results] \ + [--outdir test/convergence/results/plots] +``` + +For each case and metric (`consumption_speed`, `peak_T`), loads every +non-`--damp-const` run, takes the **largest-N `secondOrderLimited` run as +the reference**, and plots log-log relative error vs. N for both schemes on +one figure (`_.png`). Skips (with a message, not an error) any +case/metric that doesn't have at least a reference run plus 2 comparable +points for a scheme, so it can be run against a partial results directory +mid-sweep. + +### Known flake (inherited from run_baselines.py) + +Same as documented above for the baseline harness: the solver occasionally +aborts with `CVODE Integrator had too many errors` under stiff/multi-step +runs. `run_convergence.py` retries a failed run up to `--retries` times +(default 3, matching `run_baselines.py`) before giving up; each JSON records +`attempts`. + +### Task 2.1 smoke test + +One rung (rung 0, the coarsest) per case, default scheme +(`secondOrderLimited`), run via: + +``` +pixi run python test/convergence/run_convergence.py \ + --case strained --scheme secondOrderLimited --rung 0 \ + --outdir build/test/convergence-smoke --workdir build/test/convergence-work-smoke +pixi run python test/convergence/run_convergence.py \ + --case twin --scheme secondOrderLimited --rung 0 \ + --outdir build/test/convergence-smoke --workdir build/test/convergence-work-smoke +pixi run python test/convergence/run_convergence.py \ + --case cylindrical --scheme secondOrderLimited --rung 0 \ + --outdir build/test/convergence-smoke --workdir build/test/convergence-work-smoke +``` + +(Output redirected to `build/` — already gitignored — rather than +`test/convergence/results/`, since a single coarsest-rung run per case isn't +a representative "result" of the study; `results/` stays an empty +placeholder for Task 2.2's full sweep.) + +| case | scheme | rung | completed | N | final_time | peak_T (K) | consumption_speed (m/s) | convection_steps | wall time (s) | +|---|---|---|---|---|---|---|---|---|---| +| strained | secondOrderLimited | 0 | yes | 55 | 0.0046 | 1558.8 | 0.3569 | 16,245 | 0.9 | +| twin | secondOrderLimited | 0 | yes | 76 | 0.0074 | 1842.6 | 0.1702 | 130,626 | 13.2 | +| cylindrical | secondOrderLimited | 0 | yes | 64 | 0.0082 | 1790.9 | 0.2260 | 144,926 | 13.7 | + +All three runs completed on the first attempt (no retries needed). Every +JSON has all required fields populated (`N`, `grid_tolerances`, both +scalars, `total_convection_steps`, `runtime_seconds`); no NaN/Inf values +anywhere in any of the three JSON files (checked recursively over every +float field, not just the headline scalars); `peak_T` is physically +sane (1550-1850 K, consistent with the lean/moderate-equivalence-ratio +mixtures used); `consumption_speed` is positive and O(0.1-0.4 m/s), as +expected for these mixtures/strain rates. This confirms the harness +produces valid output for all three cases and both BC families +(`ZeroGradient`/`FixedValue` for `strained`, `ControlVolume`/`FixedValue` +for `twin` and `cylindrical`) at the coarsest rung; the full multi-rung, +multi-scheme sweep (needed to actually assess convergence order) is Task +2.2's job. diff --git a/test/convergence/plot_convergence.py b/test/convergence/plot_convergence.py new file mode 100644 index 0000000..f97a832 --- /dev/null +++ b/test/convergence/plot_convergence.py @@ -0,0 +1,147 @@ +#!/usr/bin/env python +""" +Plot error-vs-N grid-convergence curves from the JSON files produced by +run_convergence.py (Task 2.2's convergence study; see spec §6.4). + +For each requested case, loads every ``results/__rung*.json`` +file (excluding any ``--damp-const`` trials, which are a separate one-off +comparison, not part of the main convergence ladder), takes the finest +(largest-N) ``secondOrderLimited`` run as the reference solution, and plots +normalized error vs. N (log-log) for both schemes on one figure per +(case, metric) pair -- metrics: ``consumption_speed`` and ``peak_T``. + +Usage: + pixi run python test/convergence/plot_convergence.py \\ + [--cases strained twin cylindrical] \\ + [--resultsdir test/convergence/results] \\ + [--outdir test/convergence/results/plots] + +Requires at least one secondOrderLimited run per requested case to serve as +the reference; requires at least two runs total (any scheme) to plot a +curve. Cases/metrics without enough data are skipped with a warning, not a +hard failure, since this script may be run against a partial results +directory during Task 2.2. +""" + +import argparse +import glob +import json +import os + +import matplotlib +matplotlib.use('Agg') +import matplotlib.pyplot as plt + +CASES = ('strained', 'twin', 'cylindrical') +SCHEMES = ('firstOrderUpwind', 'secondOrderLimited') +METRICS = ('consumption_speed', 'peak_T') + +# Categorical slots 1 (blue) and 2 (aqua) from the project's validated +# palette, assigned in fixed order (new default scheme first). +COLORS = { + 'secondOrderLimited': '#2a78d6', + 'firstOrderUpwind': '#1baf7a', +} +MARKERS = { + 'secondOrderLimited': 'o', + 'firstOrderUpwind': 's', +} + + +def load_runs(resultsdir, case): + """Load all non-damp-const runs for a case, grouped by scheme.""" + runs = {scheme: [] for scheme in SCHEMES} + for path in sorted(glob.glob(os.path.join(resultsdir, '%s_*_rung*.json' % case))): + with open(path) as f: + data = json.load(f) + if data.get('case') != case: + continue + if data.get('damp_const') is not None: + continue # separate trial, not part of the main ladder + scheme = data.get('scheme') + if scheme not in runs: + continue + runs[scheme].append(data) + for scheme in runs: + runs[scheme].sort(key=lambda d: d['N']) + return runs + + +def plot_case_metric(case, metric, runs, outdir): + ref_candidates = runs.get('secondOrderLimited', []) + if not ref_candidates: + print(' [skip] %s / %s: no secondOrderLimited runs found for reference' % + (case, metric)) + return + reference_run = ref_candidates[-1] # largest N + ref_value = reference_run['scalars'].get(metric) + if ref_value is None: + print(' [skip] %s / %s: reference run has null %s' % (case, metric, metric)) + return + + fig, ax = plt.subplots(figsize=(6, 4.5)) + any_plotted = False + for scheme in SCHEMES: + Ns = [] + errs = [] + for run in runs.get(scheme, []): + value = run['scalars'].get(metric) + if value is None: + continue + # Skip the reference run itself (zero error, breaks log scale). + if run is reference_run: + continue + err = abs(value - ref_value) / abs(ref_value) + if err <= 0: + continue + Ns.append(run['N']) + errs.append(err) + if len(Ns) < 2: + continue + any_plotted = True + ax.loglog(Ns, errs, marker=MARKERS[scheme], markersize=8, linewidth=2, + color=COLORS[scheme], label=scheme) + + if not any_plotted: + print(' [skip] %s / %s: fewer than 2 comparable points for any scheme' % + (case, metric)) + plt.close(fig) + return + + ax.set_xlabel('N (grid points)') + ax.set_ylabel('relative error vs. finest secondOrderLimited run') + ax.set_title('%s: %s convergence' % (case, metric)) + ax.grid(True, which='both', linewidth=0.5, color='#c3c2b7', alpha=0.5) + ax.legend(frameon=False) + fig.tight_layout() + + os.makedirs(outdir, exist_ok=True) + out_path = os.path.join(outdir, '%s_%s.png' % (case, metric)) + fig.savefig(out_path, dpi=150) + plt.close(fig) + print(' wrote %s' % out_path) + + +def main(): + parser = argparse.ArgumentParser( + description=__doc__, formatter_class=argparse.RawDescriptionHelpFormatter) + parser.add_argument('--cases', nargs='+', choices=CASES, default=list(CASES)) + parser.add_argument('--resultsdir', default='test/convergence/results') + parser.add_argument('--outdir', default=None, + help='Default: /plots') + args = parser.parse_args() + outdir = args.outdir or os.path.join(args.resultsdir, 'plots') + + for case in args.cases: + print('=== %s ===' % case) + runs = load_runs(args.resultsdir, case) + n_found = sum(len(v) for v in runs.values()) + if n_found == 0: + print(' no result JSON files found for case %r in %s' % (case, args.resultsdir)) + continue + for metric in METRICS: + plot_case_metric(case, metric, runs, outdir) + + +if __name__ == '__main__': + main() diff --git a/test/convergence/results/.gitkeep b/test/convergence/results/.gitkeep new file mode 100644 index 0000000..e69de29 diff --git a/test/convergence/run_convergence.py b/test/convergence/run_convergence.py new file mode 100644 index 0000000..f93f99d --- /dev/null +++ b/test/convergence/run_convergence.py @@ -0,0 +1,343 @@ +#!/usr/bin/env python +""" +Grid-convergence study harness for the convection-scheme comparison (spec +§6.4, Task 2.2). This script (Task 2.1) defines the resolution ladder and +the three case configurations and can run any single (case, scheme, rung) +combination, writing one JSON file per run into ``--outdir``. + +This script only *defines* the study; it does not execute the full matrix +(that is Task 2.2). Task 2.1 only smoke-tests the coarsest rung of each +case. + +Cases (fixed strain rate and composition per case; see spec §6.4 and the +convection-scheme design doc): + +- ``strained``: an "unbounded" strained premixed H2/O2/Ar counterflow flame. + Built with ``General(unburnedLeft=False, fixedBurnedVal=False)`` on the + default planar geometry. Tracing ``FlameSolver::updateBC()`` + (src/flameSolver.cpp): with ``unburnedLeft=False`` the burned/product + index is ``jb=0`` and the unburned/reactant index is ``ju=jj``; with + ``fixedBurnedVal=False`` and this being neither a twin nor a cylindrical + flame, the left boundary falls through to + ``BoundaryCondition::ZeroGradient`` (an open, "unbounded" product-side + boundary that can extend outward as the grid adapts) while the right + boundary (the physical reactant inlet) is ``BoundaryCondition::FixedValue``. + This is the literal ``FixedValue``/``ZeroGradient`` pairing named in spec + §6.4 for Case A, and is distinct from Case B's ``ControlVolume`` path. + Composition/strain follow ``TestPremixedStrained`` + (test/python/test_flame_configs.py) and smoke_continuity_bc.py. + +- ``twin``: planar twin flame (``General(twinFlame=True, + unburnedLeft=False)``), which resolves to the ``ControlVolume`` left BC + (symmetry/stagnation plane at x=0). Config follows + ``example_twin`` / ``case_twin`` in run_baselines.py. + +- ``cylindrical``: outwardly-propagating cylindrical flame + (``General(flameGeometry='cylindrical', unburnedLeft=False, + fixedLeftLocation=True)``, i.e. curvature parameter alpha=1 in + ``OneDimGrid``), which also resolves to the ``ControlVolume`` left BC but + exercises the curved-geometry (``rphalf`` weighting) path instead of the + planar-twin path. Config follows ``example_cylindrical_outward`` / + ``case_cylindrical_outward`` in run_baselines.py. + +Resolution ladder: a 6-rung sequence of ``(vtol, dvtol, gridMax)`` tuples +(see RUNGS below), index 0 = coarsest, index 5 = finest, geometrically +spaced by roughly a factor of 1.5x in vtol/dvtol per rung (~7x from coarsest +to finest). This is a *nominal* ladder sized to produce "at least 5 rungs +spanning roughly 4x in N" per spec §6.4; the actual N achieved by each rung +is configuration-dependent (thin, highly-strained flames need more points +per unit vtol than slow ones) and should be confirmed/retuned in Task 2.2 +against the observed grid sizes, without changing the rung *count* or +*intent* documented here. + +Usage: + pixi run python test/convergence/run_convergence.py \\ + --case {strained,twin,cylindrical} \\ + --scheme {firstOrderUpwind,secondOrderLimited} \\ + [--rung N | --rungs N [N ...]] \\ + [--damp-const X] \\ + [--outdir test/convergence/results] \\ + [--workdir build/test/convergence-work] \\ + [--retries 3] \\ + [--list-rungs] + +With neither ``--rung`` nor ``--rungs`` given, all 6 rungs are run in +sequence (the Task 2.2 usage). Pass ``--rung 0`` to run only the coarsest +rung (used for the Task 2.1 smoke test). + +See test/convergence/README.md for the full protocol and output schema. +""" + +import argparse +import datetime +import os +import sys +import time +import json + +import numpy as np + +REPO_ROOT = os.path.abspath(os.path.join(os.path.dirname(__file__), '..', '..')) +sys.path.insert(0, os.path.join(REPO_ROOT, 'python')) +# Reuse the git-commit tag and the CVODE convection step-count log parser +# from the Task 0.1/1.5 baseline harness instead of duplicating them. +sys.path.insert(0, os.path.dirname(os.path.abspath(__file__))) + +from ember import (Config, Paths, General, Chemistry, Grid, InitialCondition, + StrainParameters, Times, TerminationCondition) + +from run_baselines import git_commit, total_convection_steps + +# --------------------------------------------------------------------------- +# Resolution ladder: grid-tolerance rungs, coarsest (index 0) to finest. +# See module docstring for the rationale/caveats. +# --------------------------------------------------------------------------- +RUNGS = [ + dict(vtol=0.24, dvtol=0.40, gridMax=4.0e-4), # 0: coarsest + dict(vtol=0.16, dvtol=0.27, gridMax=2.5e-4), # 1 + dict(vtol=0.11, dvtol=0.18, gridMax=1.6e-4), # 2 + dict(vtol=0.075, dvtol=0.12, gridMax=1.0e-4), # 3 + dict(vtol=0.050, dvtol=0.080, gridMax=6.3e-5), # 4 + dict(vtol=0.033, dvtol=0.055, gridMax=4.0e-5), # 5: finest +] + +CASES = ('strained', 'twin', 'cylindrical') +SCHEMES = ('firstOrderUpwind', 'secondOrderLimited') + + +def _grid_kwargs(rung_idx, damp_const): + r = RUNGS[rung_idx] + kwargs = dict(vtol=r['vtol'], dvtol=r['dvtol'], gridMax=r['gridMax']) + if damp_const is not None: + kwargs['dampConst'] = damp_const + return kwargs + + +def build_strained(rung_idx, scheme, damp_const, work_dir): + tag = 'strained_%s_rung%d' % (scheme, rung_idx) + output = os.path.join(work_dir, tag) + conf = Config( + Paths(outputDir=output, logFile=output + '.log'), + General(nThreads=1, + unburnedLeft=False, + fixedBurnedVal=False, + convectionScheme=scheme), + Chemistry(mechanismFile='h2o2.yaml'), + InitialCondition(fuel='H2:1.0', + oxidizer='O2:1.0, AR:4.0', + equivalenceRatio=0.3), + StrainParameters(initial=800, final=800), + Grid(**_grid_kwargs(rung_idx, damp_const)), + Times(regridStepInterval=10), + TerminationCondition(tEnd=2.0, measurement='dTdt')) + return conf + + +def build_twin(rung_idx, scheme, damp_const, work_dir): + tag = 'twin_%s_rung%d' % (scheme, rung_idx) + output = os.path.join(work_dir, tag) + conf = Config( + Paths(outputDir=output, logFile=output + '.log'), + General(nThreads=1, + twinFlame=True, + unburnedLeft=False, + convectionScheme=scheme), + InitialCondition(fuel='CH4:1.0', + equivalenceRatio=0.70, + xLeft=0.0, + xRight=0.01), + StrainParameters(initial=100, final=100), + Grid(**_grid_kwargs(rung_idx, damp_const)), + Times(regridStepInterval=10), + TerminationCondition(tEnd=10)) + return conf + + +def build_cylindrical(rung_idx, scheme, damp_const, work_dir): + tag = 'cylindrical_%s_rung%d' % (scheme, rung_idx) + output = os.path.join(work_dir, tag) + conf = Config( + Paths(outputDir=output, logFile=output + '.log'), + Chemistry(mechanismFile='gri30.yaml'), + General(nThreads=1, + flameGeometry='cylindrical', + unburnedLeft=False, + fixedLeftLocation=True, + convectionScheme=scheme), + InitialCondition(fuel='CH4:0.5, H2:0.5', + equivalenceRatio=0.60, + xLeft=0.0, + xRight=0.005), + StrainParameters(initial=500, final=500), + Grid(**_grid_kwargs(rung_idx, damp_const)), + TerminationCondition(tEnd=10, measurement='dTdt'), + Times(profileStepInterval=10, regridStepInterval=10)) + return conf + + +BUILDERS = { + 'strained': build_strained, + 'twin': build_twin, + 'cylindrical': build_cylindrical, +} + + +def safe_consumption_speed(solver): + """Return (value_or_None, note_or_None). Mirrors the ill-conditioning + guard in run_baselines.py's run_case(): the consumption-speed formula + has a near-zero denominator whenever the two domain-boundary + temperatures are nearly equal.""" + raw = float(solver.consumptionSpeed) + T = np.asarray(solver.T) + boundary_dT = abs(float(T[0]) - float(T[-1])) + if not np.isfinite(raw) or boundary_dT < 5.0: + return None, ('consumption_speed not physically meaningful: ' + 'boundary temperatures nearly equal ' + '(T[0]=%.2f K, T[-1]=%.2f K); raw value %r discarded' + % (T[0], T[-1], raw)) + return raw, None + + +def run_once(case, scheme, rung_idx, damp_const, work_dir): + conf = BUILDERS[case](rung_idx, scheme, damp_const, work_dir) + log_path = conf.paths.logFile.value + + conf.validate() + concrete = conf.evaluate() + + t0 = time.time() + solver = concrete.run() + runtime = time.time() - t0 + + T = np.asarray(solver.T) + Y = np.asarray(solver.Y) + x = np.asarray(solver.x) + if not np.all(np.isfinite(T)) or not np.all(np.isfinite(Y)): + raise RuntimeError('Non-finite values encountered in T or Y ' + '(case=%r scheme=%r rung=%d)' % (case, scheme, rung_idx)) + + consumption_speed, consumption_speed_note = safe_consumption_speed(solver) + + result = { + 'case': case, + 'scheme': scheme, + 'rung': rung_idx, + 'damp_const': damp_const, + 'commit': git_commit(), + 'generated_at_utc': datetime.datetime.now(datetime.timezone.utc).isoformat(), + 'config_summary': conf.stringify(), + 'grid_tolerances': { + 'vtol': concrete.grid.vtol, + 'dvtol': concrete.grid.dvtol, + 'gridMax': concrete.grid.gridMax, + 'gridMin': concrete.grid.gridMin, + 'dampConst': concrete.grid.dampConst, + }, + 'N': int(len(x)), + 'scalars': { + 'consumption_speed': consumption_speed, + 'peak_T': float(np.max(T)), + }, + 'scalar_notes': ({'consumption_speed': consumption_speed_note} + if consumption_speed_note else {}), + 'total_convection_steps': total_convection_steps(log_path), + 'runtime_seconds': runtime, + 'final_time': float(solver.tNow), + } + return result + + +def run_with_retries(case, scheme, rung_idx, damp_const, work_dir, retries): + attempt = 0 + while True: + attempt += 1 + try: + result = run_once(case, scheme, rung_idx, damp_const, work_dir) + break + except Exception as exc: + print(' attempt %d/%d failed: %r' % (attempt, retries, exc)) + if attempt >= retries: + raise + result['attempts'] = attempt + return result + + +def output_filename(case, scheme, rung_idx, damp_const): + name = '%s_%s_rung%d' % (case, scheme, rung_idx) + if damp_const is not None: + name += '_damp%g' % damp_const + return name + '.json' + + +def main(): + parser = argparse.ArgumentParser( + description=__doc__, formatter_class=argparse.RawDescriptionHelpFormatter) + parser.add_argument('--case', choices=CASES, + help='Case to run (required unless --list-rungs)') + parser.add_argument('--scheme', choices=SCHEMES, + help='Convection scheme (required unless --list-rungs)') + parser.add_argument('--damp-const', type=float, default=None, dest='damp_const', + help='Override Grid.dampConst for this run (spec §6.4\'s ' + '"relaxed dampConst" trial). Default: use each rung\'s ' + 'own default (Grid.dampConst=7).') + parser.add_argument('--rung', type=int, default=None, choices=range(len(RUNGS)), + help='Run a single rung index (0=coarsest, %d=finest).' + % (len(RUNGS) - 1)) + parser.add_argument('--rungs', type=int, nargs='+', default=None, + choices=range(len(RUNGS)), + help='Run an explicit list of rung indices. Overrides --rung. ' + 'Default (neither given): run all rungs.') + parser.add_argument('--outdir', default='test/convergence/results', + help='Directory to write per-run JSON files into') + parser.add_argument('--workdir', default='build/test/convergence-work', + help='Scratch directory for Ember run outputs (HDF5/log files)') + parser.add_argument('--retries', type=int, default=3, + help='Max attempts per run before giving up (known flake: ' + 'occasional CVODE integrator error under multi-threaded ' + 'or stiff runs; retrying is usually sufficient). Default: 3') + parser.add_argument('--list-rungs', action='store_true', + help='Print the rung ladder (vtol/dvtol/gridMax per index) and exit') + args = parser.parse_args() + + if args.list_rungs: + print('%-5s %-8s %-8s %-10s' % ('rung', 'vtol', 'dvtol', 'gridMax')) + for i, r in enumerate(RUNGS): + print('%-5d %-8g %-8g %-10g' % (i, r['vtol'], r['dvtol'], r['gridMax'])) + return + + if args.case is None or args.scheme is None: + parser.error('--case and --scheme are required (unless --list-rungs)') + + if args.rungs is not None: + rungs_to_run = list(args.rungs) + elif args.rung is not None: + rungs_to_run = [args.rung] + else: + rungs_to_run = list(range(len(RUNGS))) + + os.makedirs(args.outdir, exist_ok=True) + os.makedirs(args.workdir, exist_ok=True) + + total_t0 = time.time() + for rung_idx in rungs_to_run: + print('=== case=%s scheme=%s rung=%d damp_const=%s ===' % + (args.case, args.scheme, rung_idx, args.damp_const)) + result = run_with_retries(args.case, args.scheme, rung_idx, + args.damp_const, args.workdir, args.retries) + print(' finished in %.1f s (attempts=%d, N=%d, final_time=%.5g, ' + 'peak_T=%.1f, consumption_speed=%s, convection_steps=%s)' + % (result['runtime_seconds'], result['attempts'], result['N'], + result['final_time'], result['scalars']['peak_T'], + result['scalars']['consumption_speed'], + result['total_convection_steps'])) + out_path = os.path.join( + args.outdir, output_filename(args.case, args.scheme, rung_idx, args.damp_const)) + with open(out_path, 'w') as f: + json.dump(result, f, indent=2) + print(' wrote %s' % out_path) + + print('=== Total wall time: %.1f s ===' % (time.time() - total_t0)) + + +if __name__ == '__main__': + main() From f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sat, 4 Jul 2026 22:55:29 -0400 Subject: [PATCH 18/37] convection: mark task 2.1 complete in plan Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_017CxCXLfj7MZ3qNs5eHXeXZ --- .../plans/2026-07-04-convection-discretization.md | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/docs/superpowers/plans/2026-07-04-convection-discretization.md b/docs/superpowers/plans/2026-07-04-convection-discretization.md index 1ab6272..6850283 100644 --- a/docs/superpowers/plans/2026-07-04-convection-discretization.md +++ b/docs/superpowers/plans/2026-07-04-convection-discretization.md @@ -322,8 +322,10 @@ protocol implementation. ~4× in N); fixed strain/composition per case; steady-state termination. **Steps:** -- [ ] Write scripts; smoke-test one rung per case -- [ ] Commit: `convection: [2.1] convergence study scripts` +- [x] Write scripts; smoke-test one rung per case +- [x] Commit: `convection: [2.1] convergence study scripts` + (strained-case FixedValue/ZeroGradient BC pairing independently + verified in review, incl. explicit fixedBurnedVal=False) ### Task 2.2: Run studies, analyze, and decide Phase 3 From e8dcdcda9abb1a8525fca49c869f0628474537ee Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sat, 4 Jul 2026 23:24:42 -0400 Subject: [PATCH 19/37] convection: [2.2] convergence study runs + plots MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Full (case x scheme x rung) matrix for the grid-convergence study (spec §6.4): strained/twin/cylindrical x firstOrderUpwind/secondOrderLimited x 6-rung ladder, plus a dampConst=15 relaxation trial on strained/secondOrderLimited. 33/36 main-matrix runs and 5/6 dampConst-trial runs completed; strained/secondOrderLimited rung5 and cylindrical/secondOrderLimited rungs 4-5 fail deterministically (CVODE Integrator had too many errors, reproducible under nThreads=1) while firstOrderUpwind completes cleanly at the same tolerances for both cases -- flagged for the analysis stage, not worked around. No RUNGS retune was needed/performed (twin and firstOrderUpwind both hit the full ~4-8x N span per the existing ladder). All 6 case/metric plots generated via plot_convergence.py and verified non-empty. Full run table, dampConst comparison, and sanity-gate self-review in .superpowers/sdd/task-2.2-runs-report.md. Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_017CxCXLfj7MZ3qNs5eHXeXZ --- .../cylindrical_firstOrderUpwind_rung0.json | 26 ++++++++++++++++++ .../cylindrical_firstOrderUpwind_rung1.json | 26 ++++++++++++++++++ .../cylindrical_firstOrderUpwind_rung2.json | 26 ++++++++++++++++++ .../cylindrical_firstOrderUpwind_rung3.json | 26 ++++++++++++++++++ .../cylindrical_firstOrderUpwind_rung4.json | 26 ++++++++++++++++++ .../cylindrical_firstOrderUpwind_rung5.json | 26 ++++++++++++++++++ .../cylindrical_secondOrderLimited_rung0.json | 26 ++++++++++++++++++ .../cylindrical_secondOrderLimited_rung1.json | 26 ++++++++++++++++++ .../cylindrical_secondOrderLimited_rung2.json | 26 ++++++++++++++++++ .../cylindrical_secondOrderLimited_rung3.json | 26 ++++++++++++++++++ .../plots/cylindrical_consumption_speed.png | Bin 0 -> 58922 bytes .../results/plots/cylindrical_peak_T.png | Bin 0 -> 53585 bytes .../plots/strained_consumption_speed.png | Bin 0 -> 58842 bytes .../results/plots/strained_peak_T.png | Bin 0 -> 53625 bytes .../results/plots/twin_consumption_speed.png | Bin 0 -> 59054 bytes .../convergence/results/plots/twin_peak_T.png | Bin 0 -> 56903 bytes .../strained_firstOrderUpwind_rung0.json | 26 ++++++++++++++++++ .../strained_firstOrderUpwind_rung1.json | 26 ++++++++++++++++++ .../strained_firstOrderUpwind_rung2.json | 26 ++++++++++++++++++ .../strained_firstOrderUpwind_rung3.json | 26 ++++++++++++++++++ .../strained_firstOrderUpwind_rung4.json | 26 ++++++++++++++++++ .../strained_firstOrderUpwind_rung5.json | 26 ++++++++++++++++++ .../strained_secondOrderLimited_rung0.json | 26 ++++++++++++++++++ ...ained_secondOrderLimited_rung0_damp15.json | 26 ++++++++++++++++++ .../strained_secondOrderLimited_rung1.json | 26 ++++++++++++++++++ ...ained_secondOrderLimited_rung1_damp15.json | 26 ++++++++++++++++++ .../strained_secondOrderLimited_rung2.json | 26 ++++++++++++++++++ ...ained_secondOrderLimited_rung2_damp15.json | 26 ++++++++++++++++++ .../strained_secondOrderLimited_rung3.json | 26 ++++++++++++++++++ ...ained_secondOrderLimited_rung3_damp15.json | 26 ++++++++++++++++++ .../strained_secondOrderLimited_rung4.json | 26 ++++++++++++++++++ ...ained_secondOrderLimited_rung4_damp15.json | 26 ++++++++++++++++++ .../results/twin_firstOrderUpwind_rung0.json | 26 ++++++++++++++++++ .../results/twin_firstOrderUpwind_rung1.json | 26 ++++++++++++++++++ .../results/twin_firstOrderUpwind_rung2.json | 26 ++++++++++++++++++ .../results/twin_firstOrderUpwind_rung3.json | 26 ++++++++++++++++++ .../results/twin_firstOrderUpwind_rung4.json | 26 ++++++++++++++++++ .../results/twin_firstOrderUpwind_rung5.json | 26 ++++++++++++++++++ .../twin_secondOrderLimited_rung0.json | 26 ++++++++++++++++++ .../twin_secondOrderLimited_rung1.json | 26 ++++++++++++++++++ .../twin_secondOrderLimited_rung2.json | 26 ++++++++++++++++++ .../twin_secondOrderLimited_rung3.json | 26 ++++++++++++++++++ .../twin_secondOrderLimited_rung4.json | 26 ++++++++++++++++++ .../twin_secondOrderLimited_rung5.json | 26 ++++++++++++++++++ 44 files changed, 988 insertions(+) create mode 100644 test/convergence/results/cylindrical_firstOrderUpwind_rung0.json create mode 100644 test/convergence/results/cylindrical_firstOrderUpwind_rung1.json create mode 100644 test/convergence/results/cylindrical_firstOrderUpwind_rung2.json create mode 100644 test/convergence/results/cylindrical_firstOrderUpwind_rung3.json create mode 100644 test/convergence/results/cylindrical_firstOrderUpwind_rung4.json create mode 100644 test/convergence/results/cylindrical_firstOrderUpwind_rung5.json create mode 100644 test/convergence/results/cylindrical_secondOrderLimited_rung0.json create mode 100644 test/convergence/results/cylindrical_secondOrderLimited_rung1.json create mode 100644 test/convergence/results/cylindrical_secondOrderLimited_rung2.json create mode 100644 test/convergence/results/cylindrical_secondOrderLimited_rung3.json create mode 100644 test/convergence/results/plots/cylindrical_consumption_speed.png create mode 100644 test/convergence/results/plots/cylindrical_peak_T.png create mode 100644 test/convergence/results/plots/strained_consumption_speed.png create mode 100644 test/convergence/results/plots/strained_peak_T.png create mode 100644 test/convergence/results/plots/twin_consumption_speed.png create mode 100644 test/convergence/results/plots/twin_peak_T.png create mode 100644 test/convergence/results/strained_firstOrderUpwind_rung0.json create mode 100644 test/convergence/results/strained_firstOrderUpwind_rung1.json create mode 100644 test/convergence/results/strained_firstOrderUpwind_rung2.json create mode 100644 test/convergence/results/strained_firstOrderUpwind_rung3.json create mode 100644 test/convergence/results/strained_firstOrderUpwind_rung4.json create mode 100644 test/convergence/results/strained_firstOrderUpwind_rung5.json create mode 100644 test/convergence/results/strained_secondOrderLimited_rung0.json create mode 100644 test/convergence/results/strained_secondOrderLimited_rung0_damp15.json create mode 100644 test/convergence/results/strained_secondOrderLimited_rung1.json create mode 100644 test/convergence/results/strained_secondOrderLimited_rung1_damp15.json create mode 100644 test/convergence/results/strained_secondOrderLimited_rung2.json create mode 100644 test/convergence/results/strained_secondOrderLimited_rung2_damp15.json create mode 100644 test/convergence/results/strained_secondOrderLimited_rung3.json create mode 100644 test/convergence/results/strained_secondOrderLimited_rung3_damp15.json create mode 100644 test/convergence/results/strained_secondOrderLimited_rung4.json create mode 100644 test/convergence/results/strained_secondOrderLimited_rung4_damp15.json create mode 100644 test/convergence/results/twin_firstOrderUpwind_rung0.json create mode 100644 test/convergence/results/twin_firstOrderUpwind_rung1.json create mode 100644 test/convergence/results/twin_firstOrderUpwind_rung2.json create mode 100644 test/convergence/results/twin_firstOrderUpwind_rung3.json create mode 100644 test/convergence/results/twin_firstOrderUpwind_rung4.json create mode 100644 test/convergence/results/twin_firstOrderUpwind_rung5.json create mode 100644 test/convergence/results/twin_secondOrderLimited_rung0.json create mode 100644 test/convergence/results/twin_secondOrderLimited_rung1.json create mode 100644 test/convergence/results/twin_secondOrderLimited_rung2.json create mode 100644 test/convergence/results/twin_secondOrderLimited_rung3.json create mode 100644 test/convergence/results/twin_secondOrderLimited_rung4.json create mode 100644 test/convergence/results/twin_secondOrderLimited_rung5.json diff --git a/test/convergence/results/cylindrical_firstOrderUpwind_rung0.json b/test/convergence/results/cylindrical_firstOrderUpwind_rung0.json new file mode 100644 index 0000000..997589b --- /dev/null +++ b/test/convergence/results/cylindrical_firstOrderUpwind_rung0.json @@ -0,0 +1,26 @@ +{ + "case": "cylindrical", + "scheme": "firstOrderUpwind", + "rung": 0, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:16:36.822534+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/cylindrical_firstOrderUpwind_rung0.log',\n outputDir='build/test/convergence-work/cylindrical_firstOrderUpwind_rung0'),\n General(convectionScheme='firstOrderUpwind',\n fixedLeftLocation=True,\n flameGeometry='cylindrical',\n unburnedLeft=False),\n Grid(dvtol=0.4,\n gridMax=0.0004,\n vtol=0.24),\n InitialCondition(equivalenceRatio=0.6,\n fuel='CH4:0.5, H2:0.5',\n xLeft=0.0,\n xRight=0.005),\n StrainParameters(final=500,\n initial=500),\n Times(profileStepInterval=10,\n regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=10))\n", + "grid_tolerances": { + "vtol": 0.24, + "dvtol": 0.4, + "gridMax": 0.0004, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 65, + "scalars": { + "consumption_speed": 0.22607144460274667, + "peak_T": 1775.3910720579054 + }, + "scalar_notes": {}, + "total_convection_steps": 137353, + "runtime_seconds": 14.420450925827026, + "final_time": 0.008599999999999986, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/cylindrical_firstOrderUpwind_rung1.json b/test/convergence/results/cylindrical_firstOrderUpwind_rung1.json new file mode 100644 index 0000000..411aad7 --- /dev/null +++ b/test/convergence/results/cylindrical_firstOrderUpwind_rung1.json @@ -0,0 +1,26 @@ +{ + "case": "cylindrical", + "scheme": "firstOrderUpwind", + "rung": 1, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:16:55.225215+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/cylindrical_firstOrderUpwind_rung1.log',\n outputDir='build/test/convergence-work/cylindrical_firstOrderUpwind_rung1'),\n General(convectionScheme='firstOrderUpwind',\n fixedLeftLocation=True,\n flameGeometry='cylindrical',\n unburnedLeft=False),\n Grid(dvtol=0.27,\n gridMax=0.00025,\n vtol=0.16),\n InitialCondition(equivalenceRatio=0.6,\n fuel='CH4:0.5, H2:0.5',\n xLeft=0.0,\n xRight=0.005),\n StrainParameters(final=500,\n initial=500),\n Times(profileStepInterval=10,\n regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=10))\n", + "grid_tolerances": { + "vtol": 0.16, + "dvtol": 0.27, + "gridMax": 0.00025, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 83, + "scalars": { + "consumption_speed": 0.22696104144929458, + "peak_T": 1778.380703589902 + }, + "scalar_notes": {}, + "total_convection_steps": 138992, + "runtime_seconds": 18.378063917160034, + "final_time": 0.008799999999999978, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/cylindrical_firstOrderUpwind_rung2.json b/test/convergence/results/cylindrical_firstOrderUpwind_rung2.json new file mode 100644 index 0000000..f9357d0 --- /dev/null +++ b/test/convergence/results/cylindrical_firstOrderUpwind_rung2.json @@ -0,0 +1,26 @@ +{ + "case": "cylindrical", + "scheme": "firstOrderUpwind", + "rung": 2, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:17:23.284028+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/cylindrical_firstOrderUpwind_rung2.log',\n outputDir='build/test/convergence-work/cylindrical_firstOrderUpwind_rung2'),\n General(convectionScheme='firstOrderUpwind',\n fixedLeftLocation=True,\n flameGeometry='cylindrical',\n unburnedLeft=False),\n Grid(dvtol=0.18,\n gridMax=0.00016,\n vtol=0.11),\n InitialCondition(equivalenceRatio=0.6,\n fuel='CH4:0.5, H2:0.5',\n xLeft=0.0,\n xRight=0.005),\n StrainParameters(final=500,\n initial=500),\n Times(profileStepInterval=10,\n regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=10))\n", + "grid_tolerances": { + "vtol": 0.11, + "dvtol": 0.18, + "gridMax": 0.00016, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 140, + "scalars": { + "consumption_speed": 0.22687516486909107, + "peak_T": 1783.6699001443637 + }, + "scalar_notes": {}, + "total_convection_steps": 142087, + "runtime_seconds": 28.033611059188843, + "final_time": 0.008399999999999994, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/cylindrical_firstOrderUpwind_rung3.json b/test/convergence/results/cylindrical_firstOrderUpwind_rung3.json new file mode 100644 index 0000000..758ab14 --- /dev/null +++ b/test/convergence/results/cylindrical_firstOrderUpwind_rung3.json @@ -0,0 +1,26 @@ +{ + "case": "cylindrical", + "scheme": "firstOrderUpwind", + "rung": 3, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:18:03.393786+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/cylindrical_firstOrderUpwind_rung3.log',\n outputDir='build/test/convergence-work/cylindrical_firstOrderUpwind_rung3'),\n General(convectionScheme='firstOrderUpwind',\n fixedLeftLocation=True,\n flameGeometry='cylindrical',\n unburnedLeft=False),\n Grid(dvtol=0.12,\n gridMax=0.0001,\n vtol=0.075),\n InitialCondition(equivalenceRatio=0.6,\n fuel='CH4:0.5, H2:0.5',\n xLeft=0.0,\n xRight=0.005),\n StrainParameters(final=500,\n initial=500),\n Times(profileStepInterval=10,\n regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=10))\n", + "grid_tolerances": { + "vtol": 0.075, + "dvtol": 0.12, + "gridMax": 0.0001, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 188, + "scalars": { + "consumption_speed": 0.22708840351220203, + "peak_T": 1786.722597902593 + }, + "scalar_notes": {}, + "total_convection_steps": 144657, + "runtime_seconds": 37.400917053222656, + "final_time": 0.008200000000000002, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/cylindrical_firstOrderUpwind_rung4.json b/test/convergence/results/cylindrical_firstOrderUpwind_rung4.json new file mode 100644 index 0000000..dfb3090 --- /dev/null +++ b/test/convergence/results/cylindrical_firstOrderUpwind_rung4.json @@ -0,0 +1,26 @@ +{ + "case": "cylindrical", + "scheme": "firstOrderUpwind", + "rung": 4, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:19:04.074429+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/cylindrical_firstOrderUpwind_rung4.log',\n outputDir='build/test/convergence-work/cylindrical_firstOrderUpwind_rung4'),\n General(convectionScheme='firstOrderUpwind',\n fixedLeftLocation=True,\n flameGeometry='cylindrical',\n unburnedLeft=False),\n Grid(dvtol=0.08,\n gridMax=6.3e-05,\n vtol=0.05),\n InitialCondition(equivalenceRatio=0.6,\n fuel='CH4:0.5, H2:0.5',\n xLeft=0.0,\n xRight=0.005),\n StrainParameters(final=500,\n initial=500),\n Times(profileStepInterval=10,\n regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=10))\n", + "grid_tolerances": { + "vtol": 0.05, + "dvtol": 0.08, + "gridMax": 6.3e-05, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 291, + "scalars": { + "consumption_speed": 0.22752136132028875, + "peak_T": 1788.304961697671 + }, + "scalar_notes": {}, + "total_convection_steps": 202980, + "runtime_seconds": 60.65641188621521, + "final_time": 0.008200000000000002, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/cylindrical_firstOrderUpwind_rung5.json b/test/convergence/results/cylindrical_firstOrderUpwind_rung5.json new file mode 100644 index 0000000..23b6608 --- /dev/null +++ b/test/convergence/results/cylindrical_firstOrderUpwind_rung5.json @@ -0,0 +1,26 @@ +{ + "case": "cylindrical", + "scheme": "firstOrderUpwind", + "rung": 5, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:20:59.989491+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/cylindrical_firstOrderUpwind_rung5.log',\n outputDir='build/test/convergence-work/cylindrical_firstOrderUpwind_rung5'),\n General(convectionScheme='firstOrderUpwind',\n fixedLeftLocation=True,\n flameGeometry='cylindrical',\n unburnedLeft=False),\n Grid(dvtol=0.055,\n gridMax=4e-05,\n vtol=0.033),\n InitialCondition(equivalenceRatio=0.6,\n fuel='CH4:0.5, H2:0.5',\n xLeft=0.0,\n xRight=0.005),\n StrainParameters(final=500,\n initial=500),\n Times(profileStepInterval=10,\n regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=10))\n", + "grid_tolerances": { + "vtol": 0.033, + "dvtol": 0.055, + "gridMax": 4e-05, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 449, + "scalars": { + "consumption_speed": 0.22753257151712847, + "peak_T": 1789.6854696887508 + }, + "scalar_notes": {}, + "total_convection_steps": 347290, + "runtime_seconds": 112.35797691345215, + "final_time": 0.008200000000000002, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/cylindrical_secondOrderLimited_rung0.json b/test/convergence/results/cylindrical_secondOrderLimited_rung0.json new file mode 100644 index 0000000..0e632c1 --- /dev/null +++ b/test/convergence/results/cylindrical_secondOrderLimited_rung0.json @@ -0,0 +1,26 @@ +{ + "case": "cylindrical", + "scheme": "secondOrderLimited", + "rung": 0, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:08:16.737857+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/cylindrical_secondOrderLimited_rung0.log',\n outputDir='build/test/convergence-work/cylindrical_secondOrderLimited_rung0'),\n General(fixedLeftLocation=True,\n flameGeometry='cylindrical',\n unburnedLeft=False),\n Grid(dvtol=0.4,\n gridMax=0.0004,\n vtol=0.24),\n InitialCondition(equivalenceRatio=0.6,\n fuel='CH4:0.5, H2:0.5',\n xLeft=0.0,\n xRight=0.005),\n StrainParameters(final=500,\n initial=500),\n Times(profileStepInterval=10,\n regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=10))\n", + "grid_tolerances": { + "vtol": 0.24, + "dvtol": 0.4, + "gridMax": 0.0004, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 64, + "scalars": { + "consumption_speed": 0.22603898200234307, + "peak_T": 1790.9063454375967 + }, + "scalar_notes": {}, + "total_convection_steps": 144926, + "runtime_seconds": 13.71016526222229, + "final_time": 0.008200000000000002, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/cylindrical_secondOrderLimited_rung1.json b/test/convergence/results/cylindrical_secondOrderLimited_rung1.json new file mode 100644 index 0000000..3ccd359 --- /dev/null +++ b/test/convergence/results/cylindrical_secondOrderLimited_rung1.json @@ -0,0 +1,26 @@ +{ + "case": "cylindrical", + "scheme": "secondOrderLimited", + "rung": 1, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:08:34.350325+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/cylindrical_secondOrderLimited_rung1.log',\n outputDir='build/test/convergence-work/cylindrical_secondOrderLimited_rung1'),\n General(fixedLeftLocation=True,\n flameGeometry='cylindrical',\n unburnedLeft=False),\n Grid(dvtol=0.27,\n gridMax=0.00025,\n vtol=0.16),\n InitialCondition(equivalenceRatio=0.6,\n fuel='CH4:0.5, H2:0.5',\n xLeft=0.0,\n xRight=0.005),\n StrainParameters(final=500,\n initial=500),\n Times(profileStepInterval=10,\n regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=10))\n", + "grid_tolerances": { + "vtol": 0.16, + "dvtol": 0.27, + "gridMax": 0.00025, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 84, + "scalars": { + "consumption_speed": 0.2270122545196172, + "peak_T": 1791.100998742515 + }, + "scalar_notes": {}, + "total_convection_steps": 155183, + "runtime_seconds": 17.588144540786743, + "final_time": 0.008200000000000002, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/cylindrical_secondOrderLimited_rung2.json b/test/convergence/results/cylindrical_secondOrderLimited_rung2.json new file mode 100644 index 0000000..7497f86 --- /dev/null +++ b/test/convergence/results/cylindrical_secondOrderLimited_rung2.json @@ -0,0 +1,26 @@ +{ + "case": "cylindrical", + "scheme": "secondOrderLimited", + "rung": 2, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:09:02.058624+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/cylindrical_secondOrderLimited_rung2.log',\n outputDir='build/test/convergence-work/cylindrical_secondOrderLimited_rung2'),\n General(fixedLeftLocation=True,\n flameGeometry='cylindrical',\n unburnedLeft=False),\n Grid(dvtol=0.18,\n gridMax=0.00016,\n vtol=0.11),\n InitialCondition(equivalenceRatio=0.6,\n fuel='CH4:0.5, H2:0.5',\n xLeft=0.0,\n xRight=0.005),\n StrainParameters(final=500,\n initial=500),\n Times(profileStepInterval=10,\n regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=10))\n", + "grid_tolerances": { + "vtol": 0.11, + "dvtol": 0.18, + "gridMax": 0.00016, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 139, + "scalars": { + "consumption_speed": 0.2274779668018174, + "peak_T": 1791.6255426126154 + }, + "scalar_notes": {}, + "total_convection_steps": 182046, + "runtime_seconds": 27.684049129486084, + "final_time": 0.008200000000000002, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/cylindrical_secondOrderLimited_rung3.json b/test/convergence/results/cylindrical_secondOrderLimited_rung3.json new file mode 100644 index 0000000..8df59ba --- /dev/null +++ b/test/convergence/results/cylindrical_secondOrderLimited_rung3.json @@ -0,0 +1,26 @@ +{ + "case": "cylindrical", + "scheme": "secondOrderLimited", + "rung": 3, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:09:42.282666+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/cylindrical_secondOrderLimited_rung3.log',\n outputDir='build/test/convergence-work/cylindrical_secondOrderLimited_rung3'),\n General(fixedLeftLocation=True,\n flameGeometry='cylindrical',\n unburnedLeft=False),\n Grid(dvtol=0.12,\n gridMax=0.0001,\n vtol=0.075),\n InitialCondition(equivalenceRatio=0.6,\n fuel='CH4:0.5, H2:0.5',\n xLeft=0.0,\n xRight=0.005),\n StrainParameters(final=500,\n initial=500),\n Times(profileStepInterval=10,\n regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=10))\n", + "grid_tolerances": { + "vtol": 0.075, + "dvtol": 0.12, + "gridMax": 0.0001, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 187, + "scalars": { + "consumption_speed": 0.22760865320731188, + "peak_T": 1791.8480152706663 + }, + "scalar_notes": {}, + "total_convection_steps": 186985, + "runtime_seconds": 36.94314789772034, + "final_time": 0.00800000000000001, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/plots/cylindrical_consumption_speed.png b/test/convergence/results/plots/cylindrical_consumption_speed.png new file mode 100644 index 0000000000000000000000000000000000000000..0f3aea5847aa68359a96d67d4c03e955724a25d3 GIT binary patch literal 58922 zcmd3Obx_pd_pTrYprRm+bVtJ*b9aVe<};sV_x-%*J?A;k^Bh7|m1XY|P!U|acI_@yPD=gSwd;Y` zuHk0iz6q{KN4MgDU&1cZIxZUaW-ji=PNvtCj9naT>|Jau-_X06Iyqa~+dbvsd%`2c zMQ`Ea;@~XI%WL~zcktLdne(#B4C#Wug6|-w>wN7RIq}sGj(O%F_^ibQsFZ}JN80+- 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z=r6+Nla&AFU^Q7gP7~f!;gsaQEuB3$EVlg5tOZCXu0Fnqx`qGGo7%&$U0h;ayxj^X z4jI5I*n<@inh$Bkd70bZPEdqon@n4Cj_u4Q^j>_g4=(C$^FLJMf8!YcpJGe^q5pf* k^8YVL{l9sEnYc5`qdeKN;uYsq`1dGj2?g;yQG+-C3)WId`Tzg` literal 0 HcmV?d00001 diff --git a/test/convergence/results/strained_firstOrderUpwind_rung0.json b/test/convergence/results/strained_firstOrderUpwind_rung0.json new file mode 100644 index 0000000..b83a631 --- /dev/null +++ b/test/convergence/results/strained_firstOrderUpwind_rung0.json @@ -0,0 +1,26 @@ +{ + "case": "strained", + "scheme": "firstOrderUpwind", + "rung": 0, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T02:58:17.378965+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/strained_firstOrderUpwind_rung0.log',\n outputDir='build/test/convergence-work/strained_firstOrderUpwind_rung0'),\n General(convectionScheme='firstOrderUpwind',\n fixedBurnedVal=False,\n unburnedLeft=False),\n Chemistry(mechanismFile='h2o2.yaml'),\n Grid(dvtol=0.4,\n gridMax=0.0004,\n vtol=0.24),\n InitialCondition(equivalenceRatio=0.3,\n fuel='H2:1.0',\n oxidizer='O2:1.0, AR:4.0'),\n StrainParameters(final=800,\n initial=800),\n Times(regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=2.0))\n", + "grid_tolerances": { + "vtol": 0.24, + "dvtol": 0.4, + "gridMax": 0.0004, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 52, + "scalars": { + "consumption_speed": 0.32537963844187584, + "peak_T": 1530.0700347058876 + }, + "scalar_notes": {}, + "total_convection_steps": 14647, + "runtime_seconds": 0.8995974063873291, + "final_time": 0.004800000000000011, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/strained_firstOrderUpwind_rung1.json b/test/convergence/results/strained_firstOrderUpwind_rung1.json new file mode 100644 index 0000000..9af26b2 --- /dev/null +++ b/test/convergence/results/strained_firstOrderUpwind_rung1.json @@ -0,0 +1,26 @@ +{ + "case": "strained", + "scheme": "firstOrderUpwind", + "rung": 1, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T02:58:18.512454+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/strained_firstOrderUpwind_rung1.log',\n outputDir='build/test/convergence-work/strained_firstOrderUpwind_rung1'),\n General(convectionScheme='firstOrderUpwind',\n fixedBurnedVal=False,\n unburnedLeft=False),\n Chemistry(mechanismFile='h2o2.yaml'),\n Grid(dvtol=0.27,\n gridMax=0.00025,\n vtol=0.16),\n InitialCondition(equivalenceRatio=0.3,\n fuel='H2:1.0',\n oxidizer='O2:1.0, AR:4.0'),\n StrainParameters(final=800,\n initial=800),\n Times(regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=2.0))\n", + "grid_tolerances": { + "vtol": 0.16, + "dvtol": 0.27, + "gridMax": 0.00025, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 79, + "scalars": { + "consumption_speed": 0.33937934809222564, + "peak_T": 1540.1477595690635 + }, + "scalar_notes": {}, + "total_convection_steps": 14149, + "runtime_seconds": 1.124171257019043, + "final_time": 0.00460000000000001, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/strained_firstOrderUpwind_rung2.json b/test/convergence/results/strained_firstOrderUpwind_rung2.json new file mode 100644 index 0000000..8d6b9c3 --- /dev/null +++ b/test/convergence/results/strained_firstOrderUpwind_rung2.json @@ -0,0 +1,26 @@ +{ + "case": "strained", + "scheme": "firstOrderUpwind", + "rung": 2, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T02:58:19.986733+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/strained_firstOrderUpwind_rung2.log',\n outputDir='build/test/convergence-work/strained_firstOrderUpwind_rung2'),\n General(convectionScheme='firstOrderUpwind',\n fixedBurnedVal=False,\n unburnedLeft=False),\n Chemistry(mechanismFile='h2o2.yaml'),\n Grid(dvtol=0.18,\n gridMax=0.00016,\n vtol=0.11),\n InitialCondition(equivalenceRatio=0.3,\n fuel='H2:1.0',\n oxidizer='O2:1.0, AR:4.0'),\n StrainParameters(final=800,\n initial=800),\n Times(regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=2.0))\n", + "grid_tolerances": { + "vtol": 0.11, + "dvtol": 0.18, + "gridMax": 0.00016, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 116, + "scalars": { + "consumption_speed": 0.34260720117023286, + "peak_T": 1543.317356290068 + }, + "scalar_notes": {}, + "total_convection_steps": 13955, + "runtime_seconds": 1.4650945663452148, + "final_time": 0.00440000000000001, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/strained_firstOrderUpwind_rung3.json b/test/convergence/results/strained_firstOrderUpwind_rung3.json new file mode 100644 index 0000000..88e4899 --- /dev/null +++ b/test/convergence/results/strained_firstOrderUpwind_rung3.json @@ -0,0 +1,26 @@ +{ + "case": "strained", + "scheme": "firstOrderUpwind", + "rung": 3, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T02:58:22.383916+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/strained_firstOrderUpwind_rung3.log',\n outputDir='build/test/convergence-work/strained_firstOrderUpwind_rung3'),\n General(convectionScheme='firstOrderUpwind',\n fixedBurnedVal=False,\n unburnedLeft=False),\n Chemistry(mechanismFile='h2o2.yaml'),\n Grid(dvtol=0.12,\n gridMax=0.0001,\n vtol=0.075),\n InitialCondition(equivalenceRatio=0.3,\n fuel='H2:1.0',\n oxidizer='O2:1.0, AR:4.0'),\n StrainParameters(final=800,\n initial=800),\n Times(regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=2.0))\n", + "grid_tolerances": { + "vtol": 0.075, + "dvtol": 0.12, + "gridMax": 0.0001, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 152, + "scalars": { + "consumption_speed": 0.3495098109638265, + "peak_T": 1548.6299005405187 + }, + "scalar_notes": {}, + "total_convection_steps": 19599, + "runtime_seconds": 2.3849496841430664, + "final_time": 0.005400000000000012, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/strained_firstOrderUpwind_rung4.json b/test/convergence/results/strained_firstOrderUpwind_rung4.json new file mode 100644 index 0000000..16607cd --- /dev/null +++ b/test/convergence/results/strained_firstOrderUpwind_rung4.json @@ -0,0 +1,26 @@ +{ + "case": "strained", + "scheme": "firstOrderUpwind", + "rung": 4, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T02:58:25.868025+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/strained_firstOrderUpwind_rung4.log',\n outputDir='build/test/convergence-work/strained_firstOrderUpwind_rung4'),\n General(convectionScheme='firstOrderUpwind',\n fixedBurnedVal=False,\n unburnedLeft=False),\n Chemistry(mechanismFile='h2o2.yaml'),\n Grid(dvtol=0.08,\n gridMax=6.3e-05,\n vtol=0.05),\n InitialCondition(equivalenceRatio=0.3,\n fuel='H2:1.0',\n oxidizer='O2:1.0, AR:4.0'),\n StrainParameters(final=800,\n initial=800),\n Times(regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=2.0))\n", + "grid_tolerances": { + "vtol": 0.05, + "dvtol": 0.08, + "gridMax": 6.3e-05, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 234, + "scalars": { + "consumption_speed": 0.3531209042659638, + "peak_T": 1552.0945498144044 + }, + "scalar_notes": {}, + "total_convection_steps": 19787, + "runtime_seconds": 3.4734721183776855, + "final_time": 0.005000000000000011, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/strained_firstOrderUpwind_rung5.json b/test/convergence/results/strained_firstOrderUpwind_rung5.json new file mode 100644 index 0000000..e711cfb --- /dev/null +++ b/test/convergence/results/strained_firstOrderUpwind_rung5.json @@ -0,0 +1,26 @@ +{ + "case": "strained", + "scheme": "firstOrderUpwind", + "rung": 5, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T02:58:37.996617+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/strained_firstOrderUpwind_rung5.log',\n outputDir='build/test/convergence-work/strained_firstOrderUpwind_rung5'),\n General(convectionScheme='firstOrderUpwind',\n fixedBurnedVal=False,\n unburnedLeft=False),\n Chemistry(mechanismFile='h2o2.yaml'),\n Grid(dvtol=0.055,\n gridMax=4e-05,\n vtol=0.033),\n InitialCondition(equivalenceRatio=0.3,\n fuel='H2:1.0',\n oxidizer='O2:1.0, AR:4.0'),\n StrainParameters(final=800,\n initial=800),\n Times(regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=2.0))\n", + "grid_tolerances": { + "vtol": 0.033, + "dvtol": 0.055, + "gridMax": 4e-05, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 360, + "scalars": { + "consumption_speed": 0.35525762725328497, + "peak_T": 1554.0054152198957 + }, + "scalar_notes": {}, + "total_convection_steps": 53602, + "runtime_seconds": 8.90856385231018, + "final_time": 0.007800000000000019, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/strained_secondOrderLimited_rung0.json b/test/convergence/results/strained_secondOrderLimited_rung0.json new file mode 100644 index 0000000..3627db2 --- /dev/null +++ b/test/convergence/results/strained_secondOrderLimited_rung0.json @@ -0,0 +1,26 @@ +{ + "case": "strained", + "scheme": "secondOrderLimited", + "rung": 0, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T02:56:52.231949+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/strained_secondOrderLimited_rung0.log',\n outputDir='build/test/convergence-work/strained_secondOrderLimited_rung0'),\n General(fixedBurnedVal=False,\n unburnedLeft=False),\n Chemistry(mechanismFile='h2o2.yaml'),\n Grid(dvtol=0.4,\n gridMax=0.0004,\n vtol=0.24),\n InitialCondition(equivalenceRatio=0.3,\n fuel='H2:1.0',\n oxidizer='O2:1.0, AR:4.0'),\n StrainParameters(final=800,\n initial=800),\n Times(regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=2.0))\n", + "grid_tolerances": { + "vtol": 0.24, + "dvtol": 0.4, + "gridMax": 0.0004, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 55, + "scalars": { + "consumption_speed": 0.35688074998590097, + "peak_T": 1558.766266682478 + }, + "scalar_notes": {}, + "total_convection_steps": 16245, + "runtime_seconds": 0.9123826026916504, + "final_time": 0.00460000000000001, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/strained_secondOrderLimited_rung0_damp15.json b/test/convergence/results/strained_secondOrderLimited_rung0_damp15.json new file mode 100644 index 0000000..4f6d2bc --- /dev/null +++ b/test/convergence/results/strained_secondOrderLimited_rung0_damp15.json @@ -0,0 +1,26 @@ +{ + "case": "strained", + "scheme": "secondOrderLimited", + "rung": 0, + "damp_const": 15.0, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:21:35.086541+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work-damp/strained_secondOrderLimited_rung0.log',\n outputDir='build/test/convergence-work-damp/strained_secondOrderLimited_rung0'),\n General(fixedBurnedVal=False,\n unburnedLeft=False),\n Chemistry(mechanismFile='h2o2.yaml'),\n Grid(dampConst=15.0,\n dvtol=0.4,\n gridMax=0.0004,\n vtol=0.24),\n InitialCondition(equivalenceRatio=0.3,\n fuel='H2:1.0',\n oxidizer='O2:1.0, AR:4.0'),\n StrainParameters(final=800,\n initial=800),\n Times(regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=2.0))\n", + "grid_tolerances": { + "vtol": 0.24, + "dvtol": 0.4, + "gridMax": 0.0004, + "gridMin": 5e-07, + "dampConst": 15.0 + }, + "N": 55, + "scalars": { + "consumption_speed": 0.35688074998590097, + "peak_T": 1558.766266682478 + }, + "scalar_notes": {}, + "total_convection_steps": 16245, + "runtime_seconds": 0.8877990245819092, + "final_time": 0.00460000000000001, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/strained_secondOrderLimited_rung1.json b/test/convergence/results/strained_secondOrderLimited_rung1.json new file mode 100644 index 0000000..9b3f18e --- /dev/null +++ b/test/convergence/results/strained_secondOrderLimited_rung1.json @@ -0,0 +1,26 @@ +{ + "case": "strained", + "scheme": "secondOrderLimited", + "rung": 1, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T02:56:53.378375+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/strained_secondOrderLimited_rung1.log',\n outputDir='build/test/convergence-work/strained_secondOrderLimited_rung1'),\n General(fixedBurnedVal=False,\n unburnedLeft=False),\n Chemistry(mechanismFile='h2o2.yaml'),\n Grid(dvtol=0.27,\n gridMax=0.00025,\n vtol=0.16),\n InitialCondition(equivalenceRatio=0.3,\n fuel='H2:1.0',\n oxidizer='O2:1.0, AR:4.0'),\n StrainParameters(final=800,\n initial=800),\n Times(regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=2.0))\n", + "grid_tolerances": { + "vtol": 0.16, + "dvtol": 0.27, + "gridMax": 0.00025, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 75, + "scalars": { + "consumption_speed": 0.35827138925077856, + "peak_T": 1558.9929932903265 + }, + "scalar_notes": {}, + "total_convection_steps": 16625, + "runtime_seconds": 1.1372408866882324, + "final_time": 0.00460000000000001, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/strained_secondOrderLimited_rung1_damp15.json b/test/convergence/results/strained_secondOrderLimited_rung1_damp15.json new file mode 100644 index 0000000..f91c90b --- /dev/null +++ b/test/convergence/results/strained_secondOrderLimited_rung1_damp15.json @@ -0,0 +1,26 @@ +{ + "case": "strained", + "scheme": "secondOrderLimited", + "rung": 1, + "damp_const": 15.0, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:21:36.207519+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work-damp/strained_secondOrderLimited_rung1.log',\n outputDir='build/test/convergence-work-damp/strained_secondOrderLimited_rung1'),\n General(fixedBurnedVal=False,\n unburnedLeft=False),\n Chemistry(mechanismFile='h2o2.yaml'),\n Grid(dampConst=15.0,\n dvtol=0.27,\n gridMax=0.00025,\n vtol=0.16),\n InitialCondition(equivalenceRatio=0.3,\n fuel='H2:1.0',\n oxidizer='O2:1.0, AR:4.0'),\n StrainParameters(final=800,\n initial=800),\n Times(regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=2.0))\n", + "grid_tolerances": { + "vtol": 0.16, + "dvtol": 0.27, + "gridMax": 0.00025, + "gridMin": 5e-07, + "dampConst": 15.0 + }, + "N": 75, + "scalars": { + "consumption_speed": 0.35827138925077856, + "peak_T": 1558.9929932903265 + }, + "scalar_notes": {}, + "total_convection_steps": 16625, + "runtime_seconds": 1.1117136478424072, + "final_time": 0.00460000000000001, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/strained_secondOrderLimited_rung2.json b/test/convergence/results/strained_secondOrderLimited_rung2.json new file mode 100644 index 0000000..b029eaf --- /dev/null +++ b/test/convergence/results/strained_secondOrderLimited_rung2.json @@ -0,0 +1,26 @@ +{ + "case": "strained", + "scheme": "secondOrderLimited", + "rung": 2, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T02:56:54.842230+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/strained_secondOrderLimited_rung2.log',\n outputDir='build/test/convergence-work/strained_secondOrderLimited_rung2'),\n General(fixedBurnedVal=False,\n unburnedLeft=False),\n Chemistry(mechanismFile='h2o2.yaml'),\n Grid(dvtol=0.18,\n gridMax=0.00016,\n vtol=0.11),\n InitialCondition(equivalenceRatio=0.3,\n fuel='H2:1.0',\n oxidizer='O2:1.0, AR:4.0'),\n StrainParameters(final=800,\n initial=800),\n Times(regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=2.0))\n", + "grid_tolerances": { + "vtol": 0.11, + "dvtol": 0.18, + "gridMax": 0.00016, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 115, + "scalars": { + "consumption_speed": 0.35854355944684996, + "peak_T": 1558.8078540892182 + }, + "scalar_notes": {}, + "total_convection_steps": 17120, + "runtime_seconds": 1.4547944068908691, + "final_time": 0.00440000000000001, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/strained_secondOrderLimited_rung2_damp15.json b/test/convergence/results/strained_secondOrderLimited_rung2_damp15.json new file mode 100644 index 0000000..68a858c --- /dev/null +++ b/test/convergence/results/strained_secondOrderLimited_rung2_damp15.json @@ -0,0 +1,26 @@ +{ + "case": "strained", + "scheme": "secondOrderLimited", + "rung": 2, + "damp_const": 15.0, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:21:37.643161+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work-damp/strained_secondOrderLimited_rung2.log',\n outputDir='build/test/convergence-work-damp/strained_secondOrderLimited_rung2'),\n General(fixedBurnedVal=False,\n unburnedLeft=False),\n Chemistry(mechanismFile='h2o2.yaml'),\n Grid(dampConst=15.0,\n dvtol=0.18,\n gridMax=0.00016,\n vtol=0.11),\n InitialCondition(equivalenceRatio=0.3,\n fuel='H2:1.0',\n oxidizer='O2:1.0, AR:4.0'),\n StrainParameters(final=800,\n initial=800),\n Times(regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=2.0))\n", + "grid_tolerances": { + "vtol": 0.11, + "dvtol": 0.18, + "gridMax": 0.00016, + "gridMin": 5e-07, + "dampConst": 15.0 + }, + "N": 115, + "scalars": { + "consumption_speed": 0.35854355944684996, + "peak_T": 1558.8078540892182 + }, + "scalar_notes": {}, + "total_convection_steps": 17120, + "runtime_seconds": 1.4265258312225342, + "final_time": 0.00440000000000001, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/strained_secondOrderLimited_rung3.json b/test/convergence/results/strained_secondOrderLimited_rung3.json new file mode 100644 index 0000000..81a1393 --- /dev/null +++ b/test/convergence/results/strained_secondOrderLimited_rung3.json @@ -0,0 +1,26 @@ +{ + "case": "strained", + "scheme": "secondOrderLimited", + "rung": 3, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T02:56:57.626434+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/strained_secondOrderLimited_rung3.log',\n outputDir='build/test/convergence-work/strained_secondOrderLimited_rung3'),\n General(fixedBurnedVal=False,\n unburnedLeft=False),\n Chemistry(mechanismFile='h2o2.yaml'),\n Grid(dvtol=0.12,\n gridMax=0.0001,\n vtol=0.075),\n InitialCondition(equivalenceRatio=0.3,\n fuel='H2:1.0',\n oxidizer='O2:1.0, AR:4.0'),\n StrainParameters(final=800,\n initial=800),\n Times(regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=2.0))\n", + "grid_tolerances": { + "vtol": 0.075, + "dvtol": 0.12, + "gridMax": 0.0001, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 145, + "scalars": { + "consumption_speed": 0.35897335301514627, + "peak_T": 1558.9617557197782 + }, + "scalar_notes": {}, + "total_convection_steps": 32500, + "runtime_seconds": 2.772515058517456, + "final_time": 0.0062000000000000145, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/strained_secondOrderLimited_rung3_damp15.json b/test/convergence/results/strained_secondOrderLimited_rung3_damp15.json new file mode 100644 index 0000000..c62d944 --- /dev/null +++ b/test/convergence/results/strained_secondOrderLimited_rung3_damp15.json @@ -0,0 +1,26 @@ +{ + "case": "strained", + "scheme": "secondOrderLimited", + "rung": 3, + "damp_const": 15.0, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:21:40.368446+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work-damp/strained_secondOrderLimited_rung3.log',\n outputDir='build/test/convergence-work-damp/strained_secondOrderLimited_rung3'),\n General(fixedBurnedVal=False,\n unburnedLeft=False),\n Chemistry(mechanismFile='h2o2.yaml'),\n Grid(dampConst=15.0,\n dvtol=0.12,\n gridMax=0.0001,\n vtol=0.075),\n InitialCondition(equivalenceRatio=0.3,\n fuel='H2:1.0',\n oxidizer='O2:1.0, AR:4.0'),\n StrainParameters(final=800,\n initial=800),\n Times(regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=2.0))\n", + "grid_tolerances": { + "vtol": 0.075, + "dvtol": 0.12, + "gridMax": 0.0001, + "gridMin": 5e-07, + "dampConst": 15.0 + }, + "N": 145, + "scalars": { + "consumption_speed": 0.35897335301514627, + "peak_T": 1558.9617557197782 + }, + "scalar_notes": {}, + "total_convection_steps": 32500, + "runtime_seconds": 2.7137176990509033, + "final_time": 0.0062000000000000145, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/strained_secondOrderLimited_rung4.json b/test/convergence/results/strained_secondOrderLimited_rung4.json new file mode 100644 index 0000000..95e3ea3 --- /dev/null +++ b/test/convergence/results/strained_secondOrderLimited_rung4.json @@ -0,0 +1,26 @@ +{ + "case": "strained", + "scheme": "secondOrderLimited", + "rung": 4, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T02:57:01.835137+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/strained_secondOrderLimited_rung4.log',\n outputDir='build/test/convergence-work/strained_secondOrderLimited_rung4'),\n General(fixedBurnedVal=False,\n unburnedLeft=False),\n Chemistry(mechanismFile='h2o2.yaml'),\n Grid(dvtol=0.08,\n gridMax=6.3e-05,\n vtol=0.05),\n InitialCondition(equivalenceRatio=0.3,\n fuel='H2:1.0',\n oxidizer='O2:1.0, AR:4.0'),\n StrainParameters(final=800,\n initial=800),\n Times(regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=2.0))\n", + "grid_tolerances": { + "vtol": 0.05, + "dvtol": 0.08, + "gridMax": 6.3e-05, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 223, + "scalars": { + "consumption_speed": 0.3591038858135617, + "peak_T": 1558.7399807547688 + }, + "scalar_notes": {}, + "total_convection_steps": 37285, + "runtime_seconds": 4.199510335922241, + "final_time": 0.0062000000000000145, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/strained_secondOrderLimited_rung4_damp15.json b/test/convergence/results/strained_secondOrderLimited_rung4_damp15.json new file mode 100644 index 0000000..53f48ed --- /dev/null +++ b/test/convergence/results/strained_secondOrderLimited_rung4_damp15.json @@ -0,0 +1,26 @@ +{ + "case": "strained", + "scheme": "secondOrderLimited", + "rung": 4, + "damp_const": 15.0, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:21:44.399817+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work-damp/strained_secondOrderLimited_rung4.log',\n outputDir='build/test/convergence-work-damp/strained_secondOrderLimited_rung4'),\n General(fixedBurnedVal=False,\n unburnedLeft=False),\n Chemistry(mechanismFile='h2o2.yaml'),\n Grid(dampConst=15.0,\n dvtol=0.08,\n gridMax=6.3e-05,\n vtol=0.05),\n InitialCondition(equivalenceRatio=0.3,\n fuel='H2:1.0',\n oxidizer='O2:1.0, AR:4.0'),\n StrainParameters(final=800,\n initial=800),\n Times(regridStepInterval=10),\n TerminationCondition(measurement='dTdt',\n tEnd=2.0))\n", + "grid_tolerances": { + "vtol": 0.05, + "dvtol": 0.08, + "gridMax": 6.3e-05, + "gridMin": 5e-07, + "dampConst": 15.0 + }, + "N": 223, + "scalars": { + "consumption_speed": 0.3591038858135617, + "peak_T": 1558.7399807547688 + }, + "scalar_notes": {}, + "total_convection_steps": 37285, + "runtime_seconds": 4.022280931472778, + "final_time": 0.0062000000000000145, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/twin_firstOrderUpwind_rung0.json b/test/convergence/results/twin_firstOrderUpwind_rung0.json new file mode 100644 index 0000000..22b56de --- /dev/null +++ b/test/convergence/results/twin_firstOrderUpwind_rung0.json @@ -0,0 +1,26 @@ +{ + "case": "twin", + "scheme": "firstOrderUpwind", + "rung": 0, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:03:41.540934+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/twin_firstOrderUpwind_rung0.log',\n outputDir='build/test/convergence-work/twin_firstOrderUpwind_rung0'),\n General(convectionScheme='firstOrderUpwind',\n twinFlame=True,\n unburnedLeft=False),\n Grid(dvtol=0.4,\n gridMax=0.0004,\n vtol=0.24),\n InitialCondition(equivalenceRatio=0.7,\n xLeft=0.0,\n xRight=0.01),\n StrainParameters(final=100,\n initial=100),\n Times(regridStepInterval=10),\n TerminationCondition(tEnd=10))\n", + "grid_tolerances": { + "vtol": 0.24, + "dvtol": 0.4, + "gridMax": 0.0004, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 77, + "scalars": { + "consumption_speed": 0.17337908294006907, + "peak_T": 1838.414668427457 + }, + "scalar_notes": {}, + "total_convection_steps": 147654, + "runtime_seconds": 16.03717279434204, + "final_time": 0.009399999999999954, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/twin_firstOrderUpwind_rung1.json b/test/convergence/results/twin_firstOrderUpwind_rung1.json new file mode 100644 index 0000000..f5ffdc8 --- /dev/null +++ b/test/convergence/results/twin_firstOrderUpwind_rung1.json @@ -0,0 +1,26 @@ +{ + "case": "twin", + "scheme": "firstOrderUpwind", + "rung": 1, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:04:01.498530+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/twin_firstOrderUpwind_rung1.log',\n outputDir='build/test/convergence-work/twin_firstOrderUpwind_rung1'),\n General(convectionScheme='firstOrderUpwind',\n twinFlame=True,\n unburnedLeft=False),\n Grid(dvtol=0.27,\n gridMax=0.00025,\n vtol=0.16),\n InitialCondition(equivalenceRatio=0.7,\n xLeft=0.0,\n xRight=0.01),\n StrainParameters(final=100,\n initial=100),\n Times(regridStepInterval=10),\n TerminationCondition(tEnd=10))\n", + "grid_tolerances": { + "vtol": 0.16, + "dvtol": 0.27, + "gridMax": 0.00025, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 105, + "scalars": { + "consumption_speed": 0.17269182742788833, + "peak_T": 1838.9368854718039 + }, + "scalar_notes": {}, + "total_convection_steps": 133720, + "runtime_seconds": 19.932862758636475, + "final_time": 0.008399999999999994, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/twin_firstOrderUpwind_rung2.json b/test/convergence/results/twin_firstOrderUpwind_rung2.json new file mode 100644 index 0000000..ebfee05 --- /dev/null +++ b/test/convergence/results/twin_firstOrderUpwind_rung2.json @@ -0,0 +1,26 @@ +{ + "case": "twin", + "scheme": "firstOrderUpwind", + "rung": 2, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:04:31.885459+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/twin_firstOrderUpwind_rung2.log',\n outputDir='build/test/convergence-work/twin_firstOrderUpwind_rung2'),\n General(convectionScheme='firstOrderUpwind',\n twinFlame=True,\n unburnedLeft=False),\n Grid(dvtol=0.18,\n gridMax=0.00016,\n vtol=0.11),\n InitialCondition(equivalenceRatio=0.7,\n xLeft=0.0,\n xRight=0.01),\n StrainParameters(final=100,\n initial=100),\n Times(regridStepInterval=10),\n TerminationCondition(tEnd=10))\n", + "grid_tolerances": { + "vtol": 0.11, + "dvtol": 0.18, + "gridMax": 0.00016, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 165, + "scalars": { + "consumption_speed": 0.1718764269879931, + "peak_T": 1840.1592517732836 + }, + "scalar_notes": {}, + "total_convection_steps": 140924, + "runtime_seconds": 30.361504793167114, + "final_time": 0.008399999999999994, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/twin_firstOrderUpwind_rung3.json b/test/convergence/results/twin_firstOrderUpwind_rung3.json new file mode 100644 index 0000000..234f68d --- /dev/null +++ b/test/convergence/results/twin_firstOrderUpwind_rung3.json @@ -0,0 +1,26 @@ +{ + "case": "twin", + "scheme": "firstOrderUpwind", + "rung": 3, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:05:15.391710+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/twin_firstOrderUpwind_rung3.log',\n outputDir='build/test/convergence-work/twin_firstOrderUpwind_rung3'),\n General(convectionScheme='firstOrderUpwind',\n twinFlame=True,\n unburnedLeft=False),\n Grid(dvtol=0.12,\n gridMax=0.0001,\n vtol=0.075),\n InitialCondition(equivalenceRatio=0.7,\n xLeft=0.0,\n xRight=0.01),\n StrainParameters(final=100,\n initial=100),\n Times(regridStepInterval=10),\n TerminationCondition(tEnd=10))\n", + "grid_tolerances": { + "vtol": 0.075, + "dvtol": 0.12, + "gridMax": 0.0001, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 245, + "scalars": { + "consumption_speed": 0.17168124774213805, + "peak_T": 1840.6897413438137 + }, + "scalar_notes": {}, + "total_convection_steps": 134547, + "runtime_seconds": 43.464348793029785, + "final_time": 0.008200000000000002, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/twin_firstOrderUpwind_rung4.json b/test/convergence/results/twin_firstOrderUpwind_rung4.json new file mode 100644 index 0000000..8aa44c6 --- /dev/null +++ b/test/convergence/results/twin_firstOrderUpwind_rung4.json @@ -0,0 +1,26 @@ +{ + "case": "twin", + "scheme": "firstOrderUpwind", + "rung": 4, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:06:22.083520+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/twin_firstOrderUpwind_rung4.log',\n outputDir='build/test/convergence-work/twin_firstOrderUpwind_rung4'),\n General(convectionScheme='firstOrderUpwind',\n twinFlame=True,\n unburnedLeft=False),\n Grid(dvtol=0.08,\n gridMax=6.3e-05,\n vtol=0.05),\n InitialCondition(equivalenceRatio=0.7,\n xLeft=0.0,\n xRight=0.01),\n StrainParameters(final=100,\n initial=100),\n Times(regridStepInterval=10),\n TerminationCondition(tEnd=10))\n", + "grid_tolerances": { + "vtol": 0.05, + "dvtol": 0.08, + "gridMax": 6.3e-05, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 351, + "scalars": { + "consumption_speed": 0.17123999189645087, + "peak_T": 1840.790175820078 + }, + "scalar_notes": {}, + "total_convection_steps": 162231, + "runtime_seconds": 63.83034110069275, + "final_time": 0.00800000000000001, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/twin_firstOrderUpwind_rung5.json b/test/convergence/results/twin_firstOrderUpwind_rung5.json new file mode 100644 index 0000000..141e16f --- /dev/null +++ b/test/convergence/results/twin_firstOrderUpwind_rung5.json @@ -0,0 +1,26 @@ +{ + "case": "twin", + "scheme": "firstOrderUpwind", + "rung": 5, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:07:58.898266+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/twin_firstOrderUpwind_rung5.log',\n outputDir='build/test/convergence-work/twin_firstOrderUpwind_rung5'),\n General(convectionScheme='firstOrderUpwind',\n twinFlame=True,\n unburnedLeft=False),\n Grid(dvtol=0.055,\n gridMax=4e-05,\n vtol=0.033),\n InitialCondition(equivalenceRatio=0.7,\n xLeft=0.0,\n xRight=0.01),\n StrainParameters(final=100,\n initial=100),\n Times(regridStepInterval=10),\n TerminationCondition(tEnd=10))\n", + "grid_tolerances": { + "vtol": 0.033, + "dvtol": 0.055, + "gridMax": 4e-05, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 531, + "scalars": { + "consumption_speed": 0.17117890486638568, + "peak_T": 1841.2555563126348 + }, + "scalar_notes": {}, + "total_convection_steps": 167217, + "runtime_seconds": 96.79051327705383, + "final_time": 0.008200000000000002, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/twin_secondOrderLimited_rung0.json b/test/convergence/results/twin_secondOrderLimited_rung0.json new file mode 100644 index 0000000..1ac8ab7 --- /dev/null +++ b/test/convergence/results/twin_secondOrderLimited_rung0.json @@ -0,0 +1,26 @@ +{ + "case": "twin", + "scheme": "secondOrderLimited", + "rung": 0, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T02:59:03.894575+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/twin_secondOrderLimited_rung0.log',\n outputDir='build/test/convergence-work/twin_secondOrderLimited_rung0'),\n General(twinFlame=True,\n unburnedLeft=False),\n Grid(dvtol=0.4,\n gridMax=0.0004,\n vtol=0.24),\n InitialCondition(equivalenceRatio=0.7,\n xLeft=0.0,\n xRight=0.01),\n StrainParameters(final=100,\n initial=100),\n Times(regridStepInterval=10),\n TerminationCondition(tEnd=10))\n", + "grid_tolerances": { + "vtol": 0.24, + "dvtol": 0.4, + "gridMax": 0.0004, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 76, + "scalars": { + "consumption_speed": 0.17020903712654717, + "peak_T": 1842.6024106700731 + }, + "scalar_notes": {}, + "total_convection_steps": 130626, + "runtime_seconds": 13.431646585464478, + "final_time": 0.007400000000000018, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/twin_secondOrderLimited_rung1.json b/test/convergence/results/twin_secondOrderLimited_rung1.json new file mode 100644 index 0000000..1743c12 --- /dev/null +++ b/test/convergence/results/twin_secondOrderLimited_rung1.json @@ -0,0 +1,26 @@ +{ + "case": "twin", + "scheme": "secondOrderLimited", + "rung": 1, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T02:59:23.101144+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/twin_secondOrderLimited_rung1.log',\n outputDir='build/test/convergence-work/twin_secondOrderLimited_rung1'),\n General(twinFlame=True,\n unburnedLeft=False),\n Grid(dvtol=0.27,\n gridMax=0.00025,\n vtol=0.16),\n InitialCondition(equivalenceRatio=0.7,\n xLeft=0.0,\n xRight=0.01),\n StrainParameters(final=100,\n initial=100),\n Times(regridStepInterval=10),\n TerminationCondition(tEnd=10))\n", + "grid_tolerances": { + "vtol": 0.16, + "dvtol": 0.27, + "gridMax": 0.00025, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 100, + "scalars": { + "consumption_speed": 0.17036668674822913, + "peak_T": 1842.7984804600653 + }, + "scalar_notes": {}, + "total_convection_steps": 141771, + "runtime_seconds": 19.179869174957275, + "final_time": 0.007800000000000019, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/twin_secondOrderLimited_rung2.json b/test/convergence/results/twin_secondOrderLimited_rung2.json new file mode 100644 index 0000000..5479336 --- /dev/null +++ b/test/convergence/results/twin_secondOrderLimited_rung2.json @@ -0,0 +1,26 @@ +{ + "case": "twin", + "scheme": "secondOrderLimited", + "rung": 2, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T02:59:51.963576+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/twin_secondOrderLimited_rung2.log',\n outputDir='build/test/convergence-work/twin_secondOrderLimited_rung2'),\n General(twinFlame=True,\n unburnedLeft=False),\n Grid(dvtol=0.18,\n gridMax=0.00016,\n vtol=0.11),\n InitialCondition(equivalenceRatio=0.7,\n xLeft=0.0,\n xRight=0.01),\n StrainParameters(final=100,\n initial=100),\n Times(regridStepInterval=10),\n TerminationCondition(tEnd=10))\n", + "grid_tolerances": { + "vtol": 0.11, + "dvtol": 0.18, + "gridMax": 0.00016, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 162, + "scalars": { + "consumption_speed": 0.17067442725607182, + "peak_T": 1842.7709002348474 + }, + "scalar_notes": {}, + "total_convection_steps": 161318, + "runtime_seconds": 28.832168579101562, + "final_time": 0.007800000000000019, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/twin_secondOrderLimited_rung3.json b/test/convergence/results/twin_secondOrderLimited_rung3.json new file mode 100644 index 0000000..aafefdd --- /dev/null +++ b/test/convergence/results/twin_secondOrderLimited_rung3.json @@ -0,0 +1,26 @@ +{ + "case": "twin", + "scheme": "secondOrderLimited", + "rung": 3, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:00:36.979577+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/twin_secondOrderLimited_rung3.log',\n outputDir='build/test/convergence-work/twin_secondOrderLimited_rung3'),\n General(twinFlame=True,\n unburnedLeft=False),\n Grid(dvtol=0.12,\n gridMax=0.0001,\n vtol=0.075),\n InitialCondition(equivalenceRatio=0.7,\n xLeft=0.0,\n xRight=0.01),\n StrainParameters(final=100,\n initial=100),\n Times(regridStepInterval=10),\n TerminationCondition(tEnd=10))\n", + "grid_tolerances": { + "vtol": 0.075, + "dvtol": 0.12, + "gridMax": 0.0001, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 247, + "scalars": { + "consumption_speed": 0.17069587307420303, + "peak_T": 1842.7922154572616 + }, + "scalar_notes": {}, + "total_convection_steps": 167419, + "runtime_seconds": 41.96117067337036, + "final_time": 0.007800000000000019, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/twin_secondOrderLimited_rung4.json b/test/convergence/results/twin_secondOrderLimited_rung4.json new file mode 100644 index 0000000..37ffefd --- /dev/null +++ b/test/convergence/results/twin_secondOrderLimited_rung4.json @@ -0,0 +1,26 @@ +{ + "case": "twin", + "scheme": "secondOrderLimited", + "rung": 4, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:01:43.352952+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/twin_secondOrderLimited_rung4.log',\n outputDir='build/test/convergence-work/twin_secondOrderLimited_rung4'),\n General(twinFlame=True,\n unburnedLeft=False),\n Grid(dvtol=0.08,\n gridMax=6.3e-05,\n vtol=0.05),\n InitialCondition(equivalenceRatio=0.7,\n xLeft=0.0,\n xRight=0.01),\n StrainParameters(final=100,\n initial=100),\n Times(regridStepInterval=10),\n TerminationCondition(tEnd=10))\n", + "grid_tolerances": { + "vtol": 0.05, + "dvtol": 0.08, + "gridMax": 6.3e-05, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 348, + "scalars": { + "consumption_speed": 0.17071679461021091, + "peak_T": 1842.791649253537 + }, + "scalar_notes": {}, + "total_convection_steps": 383226, + "runtime_seconds": 66.34935331344604, + "final_time": 0.007800000000000019, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/twin_secondOrderLimited_rung5.json b/test/convergence/results/twin_secondOrderLimited_rung5.json new file mode 100644 index 0000000..2ca7c85 --- /dev/null +++ b/test/convergence/results/twin_secondOrderLimited_rung5.json @@ -0,0 +1,26 @@ +{ + "case": "twin", + "scheme": "secondOrderLimited", + "rung": 5, + "damp_const": null, + "commit": "f38cfc31cef9a036d2fed8bbe28f47ce6be7e9e8", + "generated_at_utc": "2026-07-05T03:03:21.980027+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/convergence-work/twin_secondOrderLimited_rung5.log',\n outputDir='build/test/convergence-work/twin_secondOrderLimited_rung5'),\n General(twinFlame=True,\n unburnedLeft=False),\n Grid(dvtol=0.055,\n gridMax=4e-05,\n vtol=0.033),\n InitialCondition(equivalenceRatio=0.7,\n xLeft=0.0,\n xRight=0.01),\n StrainParameters(final=100,\n initial=100),\n Times(regridStepInterval=10),\n TerminationCondition(tEnd=10))\n", + "grid_tolerances": { + "vtol": 0.033, + "dvtol": 0.055, + "gridMax": 4e-05, + "gridMin": 5e-07, + "dampConst": 7 + }, + "N": 525, + "scalars": { + "consumption_speed": 0.17072136868729768, + "peak_T": 1842.7960362243891 + }, + "scalar_notes": {}, + "total_convection_steps": 461546, + "runtime_seconds": 98.6031699180603, + "final_time": 0.007800000000000019, + "attempts": 1 +} \ No newline at end of file From 4d3e2f1be7882a394b8469d3b2876790a66c1e13 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sat, 4 Jul 2026 23:37:56 -0400 Subject: [PATCH 20/37] convection: [2.2] convergence findings addendum + phase-3 recommendation MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Append "Phase 2 findings" (§P2.1-P2.7) to the convection-discretization design spec: observed convergence orders, error-vs-N grid-reduction tables, CVODE step-count/limiter-smoothness comparison (spec §5), diagnosis of the deterministic CVODE failures at the finest rungs, the dampConst null result, and the Phase 3 gate assessment. Headline: secondOrderLimited buys a large, consistent per-grid-point accuracy gain (peak_T grid-converged at the coarsest grid in all cases; ~7x grid reduction at matched consumption_speed for strained/twin). The spec §5 step-count red flag has triggered: a deterministic grid-refinement/limiter- stiffness feedback runs CVODE away to failure at the finest rungs of the two high-strain cases. Analysis-only diagnostic probes (grid-frozen and intermediate-rung, no src edits) locate the mechanism and a stable fixed point just below the failing rung; JSONs under test/convergence/results/diagnostics/. Recommendation (formulated, not decided): Phase 3 gate OPEN on the diffusion- dominance criterion, conditioned on first fixing the tight-tolerance CVODE robustness bug. Decision: PENDING user review. Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_017CxCXLfj7MZ3qNs5eHXeXZ --- ...-07-04-convection-discretization-design.md | 226 ++++++++++++++++++ .../convergence/results/diagnostics/README.md | 15 ++ .../diag_strained_sol_rung4p5.json | 19 ++ .../diag_strained_sol_rung5_frozengrid.json | 14 ++ .../diag_strained_sol_rung5_noregrid.json | 19 ++ 5 files changed, 293 insertions(+) create mode 100644 test/convergence/results/diagnostics/README.md create mode 100644 test/convergence/results/diagnostics/diag_strained_sol_rung4p5.json create mode 100644 test/convergence/results/diagnostics/diag_strained_sol_rung5_frozengrid.json create mode 100644 test/convergence/results/diagnostics/diag_strained_sol_rung5_noregrid.json diff --git a/docs/superpowers/specs/2026-07-04-convection-discretization-design.md b/docs/superpowers/specs/2026-07-04-convection-discretization-design.md index e2a05d2..3ee1a03 100644 --- a/docs/superpowers/specs/2026-07-04-convection-discretization-design.md +++ b/docs/superpowers/specs/2026-07-04-convection-discretization-design.md @@ -365,3 +365,229 @@ be conservative by construction. | Approach C | Deferred; documented in Appendix A | More than the current goal requires; concern noted for future | | Validation | Grid convergence on strained + twin/cylindrical flames; example baselining | Covers all BC paths; compensates for incomplete unit suite | | Quasi-2D | Bug fix accepted; behavior change acceptable | Orphan configuration, no tests, not a merge blocker | + +## Phase 2 findings (Task 2.2 convergence study) + +*Appended by the Task 2.2 analysis stage. Sections above are unchanged. All +numbers below are reproducible from the committed JSONs in +`test/convergence/results/` (main ladder) and +`test/convergence/results/diagnostics/` (anomaly probes); the matrix, the +failures, and the plots are documented in +`.superpowers/sdd/task-2.2-runs-report.md`. Runs were produced at commit +`f38cfc31`, `nThreads=1` (deterministic).* + +**Method / reference convention.** Error is measured against the finest +*completed* `secondOrderLimited` (sol) run per case, matching +`plot_convergence.py` (strained: rung 4, N=223; twin: rung 5, N=525; +cylindrical: rung 3, N=187). This is a **self-reference**: sol's own error is +computed against itself, which understates sol's absolute error near the +reference N and inflates fitted sol orders. For strained and cylindrical the +sol ladder is also **truncated** (4 completed rungs each; §P2.4), so the sol +order estimates for those two cases rest on 4 and 3 points respectively and +should be read as "at least 2nd-order, converging fast," not as precise +orders. Two facts partly offset the self-reference worry for the scalar +*values*: (1) `firstOrderUpwind` (fou) approaches sol's converged value from +below in every case, and (2) the two schemes agree on the continuum limit to +≤0.05% on consumption_speed — so the finest-sol value is a sound truth proxy +even where its own error bar is unquantified. + +### P2.1 Observed convergence orders + +Log-log least-squares fit of relative error vs. N (order = −slope). "n pts" +notes how many ladder points entered the fit (reference run excluded). + +| case | metric | sol order | fou order | +|---|---|---|---| +| strained | consumption_speed | 2.58 (4 pts) | 1.13 (6 pts) | +| strained | peak_T | *noise floor* (4 pts) | 0.94 (6 pts) | +| twin | consumption_speed | 3.07 (5 pts) | 0.95 (6 pts) | +| twin | peak_T | *noise floor* (5 pts) | 0.54 (6 pts) | +| cylindrical | consumption_speed | 3.18 (3 pts) | 1.55 (6 pts) | +| cylindrical | peak_T | *noise floor* (3 pts) | 1.06 (6 pts) | + +- **fou behaves as ~1st-order** on both metrics in all cases (0.5–1.6), + consistent with its O(h) numerical diffusion. +- **sol consumption_speed fits are ≥2.5**, i.e. *at least* 2nd-order. The + absolute value is inflated by the self-reference and truncated ladders and + should not be quoted as a precise order — the honest statement is "sol is + at least 2nd-order and converges much faster than fou." +- **sol peak_T is at the noise floor** (relative error 1e-5…1e-4, + non-monotonic) at *every* rung including the coarsest — it is grid-converged + before the ladder even starts, so no order is extractable (the tabulated + −1.37/1.65/1.93 are fits to noise and are meaningless). + +### P2.2 Error magnitude and grid-size reduction at matched error + +The order fits understate the real result; the per-point *error magnitude* is +the headline. Relative error at the coarsest sol grid vs. the best (finest) +fou grid: + +| case | metric | sol @ coarsest | fou @ finest | grid reduction at matched error | +|---|---|---|---|---| +| strained | consumption_speed | 0.62% @ N=55 | 1.07% @ N=360 | **>6.5×** (fou's finest never reaches sol's coarsest accuracy) | +| strained | peak_T | 0.002% @ N=55 | 0.30% @ N=360 | **≫7×** (fou is ~100× less accurate even at finest) | +| twin | consumption_speed | 0.30% @ N=76 | 0.27% @ N=531 | **~7×** (fou needs ~N=500 to match sol's N=76) | +| twin | peak_T | 0.01% @ N=76 | 0.08% @ N=531 | **≫7×** (fou never matches within the ladder) | +| cylindrical | consumption_speed | 0.69% @ N=64 | 0.03% @ N=449 | **~1×** (fou's cs converges quickly here; no sol advantage) | +| cylindrical | peak_T | 0.05% @ N=64 | 0.12% @ N=449 | **>7×** (fou never matches within the ladder) | + +**Reading:** the "accuracy per grid point" goal (§2) is strongly met for +**peak_T in all three cases** (sol is grid-converged at the coarsest grid; +fou never catches up within the tested ladder) and for **consumption_speed in +strained and twin** (~7× fewer points for matched error). The one honest +exception is **consumption_speed in the cylindrical case**, where fou's +consumption speed also converges quickly and sol shows no meaningful per-point +advantage on that single metric (its peak_T advantage there is still large). +So the win is real and consistent but not uniform across every (case, metric) +cell. + +### P2.3 CVODE step-count / limiter-smoothness comparison (spec §5) + +Total convection CVODE steps, sol/fou ratio along the ladder (matched N): + +| case | rung0 | rung1 | rung2 | rung3 | rung4 | rung5 | +|---|---|---|---|---|---|---| +| strained | 1.11 | 1.17 | 1.23 | 1.66 | 1.88 | *sol failed* | +| twin | 0.88 | 1.06 | 1.14 | 1.24 | 2.36 | 2.76 | +| cylindrical | 1.06 | 1.12 | 1.28 | 1.29 | *sol failed* | *sol failed* | + +The limited scheme's convection cost **grows super-linearly with refinement** +in every case — the sol/fou ratio rises monotonically from ~1 at the coarsest +grid. In `twin` (the only case where sol completes the whole ladder) it +plateaus at ~2.8× and the run is fine: an **elevated but survivable** +stiffness cost, directly attributable to the limiter's reduced RHS smoothness +(spec §5). In the two high-strain cases the cost does not plateau — it +diverges into the CVODE failure of §P2.4. Per-*global*-step convection counts +from the logs make the divergence concrete: twin sol at N=525 sits at a stable +~1,600 steps/global-step (vs. ~400 for fou); the failing strained sol rung 5 +climbs 350→3,900 as its grid grows 350→505, and the failing cylindrical sol +rung 4 climbs into the 10,000–16,000 range, immediately before CVODE quits +(fou at comparable N stays at 70–720). **This is the spec §5 "step-count +blowup" that was pre-registered as a pre-merge red flag; it has triggered.** + +### P2.4 Anomaly: deterministic CVODE failure at the finest rungs + +**Facts (data shows).** `secondOrderLimited` fails deterministically with +`CVODE Integrator had too many errors` at strained rung 5 and cylindrical +rungs 4–5 (each failing every attempt across two invocations, `nThreads=1`). +`firstOrderUpwind` completes those same rungs at identical tolerances; `twin` +is unaffected for both schemes. In **every failing run** the adaptive grid +grows monotonically and never settles (strained rung 5: 167→505 across 23 +regrids; cylindrical rung 4: 108→408) while the per-step convection CVODE +count climbs in lockstep, both diverging together in the final regrids before +the integrator gives up. In **every passing run** (both schemes, including +`twin` sol at N=525) the grid overshoots then plateaus at a stable point +count. Cells are nowhere near the `gridMin` floor (smallest ~2.3e-5 vs. floor +5e-7); refinement is driven by `vtol`/`dvtol` curvature demand around the +sharpening front. + +**Diagnostic probes** (analysis-only, no `src/` edits; JSONs in +`results/diagnostics/`): + +- **Grid frozen** (rung-5 tolerances, `regridStepInterval=1e9`, + `regridTimeInterval=1e30`): **completes**, bounded convection cost (~42 + steps/global-step, N=100). The failure *requires the grid to keep + refining* — a non-refining grid at the same tolerances integrates fine. +- **Intermediate "rung 4.5"** (`vtol=0.040, dvtol=0.065, gridMax=5.0e-5`): + **completes** at N=269 with converged scalars (consumption_speed 0.35915, + peak_T 1558.92) and a settled grid — a stable fixed point exists just below + rung 5. +- (`Debug(regridding=False)` was found to be only a verbose-print toggle, not + an adaptation switch, so that probe merely reproduced the failure + identically — a useful determinism confirmation.) + +**Hypotheses weighed.** + +- *H1 — intrinsic limiter stiffness* (limiter non-smoothness stiffens the + convection RHS): **supported but survivable.** twin's stable ~2.8× step-count + elevation and sol>fou counts everywhere show it is real; it is the + *mechanism* by which a run eventually exceeds CVODE's error budget, not by + itself the trigger. +- *H2 — grid-adaptation feedback* (sol's sharper profiles keep triggering + regrids): **best-supported as the proximate trigger.** The grid-frozen probe + removes the failure; the monotonic non-settling grid growth is present in + exactly the failing runs and absent in every passing run. +- *H3 — tolerance ladder simply too tight:* **refuted.** fou completes all + rungs at identical tolerances with a settled grid, so the tolerances are not + intrinsically unreasonable. + +**Best-supported mechanism.** At the finest tolerances in high-strain flames +the low-numerical-diffusion limited scheme has **no stable grid fixed point**: +each refinement sharpens the resolved front (by design — that is the accuracy +gain), which both re-triggers refinement (interior insertion near the front; +boundary removal blocked by the `boundaryTolRm`=1e-5 flatness test) *and* +stiffens the convection sub-integration (H1), a positive feedback that +diverges until the per-step CVODE count exceeds its error budget and the +integrator quits. The threshold sits between "rung 4.5" (N=269, stable) and +rung 5 for strained. This is an **edge-of-stability phenomenon at the finest +one or two rungs, not a blanket breakdown** — and it is outside the *default* +operating envelope (default `vtol`=0.12 is coarser than rung 2; the failures +are at `vtol`=0.033–0.05, 2.4–3.6× tighter). + +**What would resolve it (analysis-level, not a decision).** A durable fix is +code-level: (a) smooth the limiter near extrema and/or freeze σ within a +convection sub-step so the RHS CVODE sees is smoother (spec §5's own +hypothesis); or (b) a grid-adaptation guard that denies the runaway a foothold +(cap growth per regrid / add removal hysteresis). A definitive H1-vs-H2 +isolation would need a run on a *fixed fine* grid (frozen at N≈500), which the +current harness cannot seed without a `src/` change. + +### P2.5 dampConst trial (strained sol, dampConst 7 → 15) + +Grid-point count is **identical point-for-point** (55/75/115/145/223 at rungs +0–4) between the default `dampConst=7` and the relaxed `dampConst=15`; rung 5 +fails under both. **No additional coarsening headroom** from relaxing +`dampConst` for this case — the point count is governed by `vtol`/`dvtol`, not +the removal-damping term, at these strain/tolerance settings. The relaxed +value also did not rescue rung 5, consistent with §P2.4 (the failure is a +convection-integrator robustness issue, not a grid-oscillation/damping one). + +### P2.6 Phase 3 gate assessment + +*Gate criterion (from the plan): "does diffusion error dominate at target +resolutions? — if `secondOrderLimited` error-vs-N flattens toward +2nd-order-diffusion-limited behavior while convection refinement no longer +helps, the gate opens."* + +- **The flattening signature is present.** sol's peak_T is grid-converged to + ≤0.05% at the coarsest grid in all three cases, and sol's consumption_speed + is within ~0.3–0.7% at the coarsest grid and flat thereafter. Refining the + convection grid beyond N≈100–150 changes the sol scalars negligibly — + convection refinement no longer helps. +- **Inference, with a caveat.** Because convection error is exhausted at + coarsened target resolutions, the residual error there is *not* + convection-limited; the 2nd-order diffusion operator is the leading + remaining term, so diffusion error plausibly dominates. This is **inferred + from convection-error exhaustion plus cross-scheme agreement, not measured** + — the study did not A/B the diffusion scheme, so "diffusion dominates" is a + well-motivated inference, not a direct measurement. The self-referenced + metric also means the *absolute* error floor at target resolution is not + quantified. +- **Independent robustness caveat.** The §5 step-count red flag has triggered + (§P2.3–P2.4). This concerns the *convection scheme's* robustness under + refinement, which is orthogonal to the diffusion-dominance gate criterion — + it neither opens nor closes the gate, but it means Phase 2 is **not a clean + bill of health** for the limited scheme at tight tolerances. + +### P2.7 Recommendation (decision is the project owner's) + +1. **Phase 3 gate: recommend OPEN on the diffusion-dominance criterion.** + Convection error is exhausted at coarsened target resolutions and further + convection refinement no longer helps, so a diffusion-accuracy upgrade is + the next available lever. Proceed to the Phase 3 brainstorming/design pass + (per the plan, a fresh scoped spec — do not improvise Phase 3 from the + one-paragraph sketch). +2. **Condition the gate on resolving the §5 tight-tolerance CVODE robustness + bug (§P2.4).** A convection scheme that *diverges* under grid refinement + (rather than converging) is a latent robustness hazard even though it sits + outside the default coarse-grid operating envelope, and it is exactly the + red flag the spec pre-registered. Recommendation: fix it (option (a) or (b) + above, chosen via a short design pass) **before Phase 3 diffusion work + lands**, and — if the limited scheme ships as the default in the Phase 1 + merge — record it as a known limitation / release note in the meantime. + This is a convection-scheme item, not a reason to keep the Phase 3 gate + closed. +3. **dampConst: no action.** It yields no additional coarsening headroom for + the strained case (§P2.5). + +**Decision: PENDING user review.** diff --git a/test/convergence/results/diagnostics/README.md b/test/convergence/results/diagnostics/README.md new file mode 100644 index 0000000..d032058 --- /dev/null +++ b/test/convergence/results/diagnostics/README.md @@ -0,0 +1,15 @@ +# Task 2.2 anomaly diagnostics (analysis stage) + +These JSONs are **not** part of the convergence ladder. They are short, +throwaway probes run during the Task 2.2 analysis stage to characterize the +deterministic `secondOrderLimited` CVODE failure at the finest tolerance +rungs (see the spec's "Phase 2 findings" addendum, §P2.4). No `src/` changes +were made to produce them. + +| file | what it probes | result | +|---|---|---| +| `diag_strained_sol_rung5_noregrid.json` | rung-5 tolerances with `Debug(regridding=False)` | FAILED, byte-identical grid trajectory to the production failure — the `regridding` flag is only a verbose-print toggle (`src/debugUtils.h`), so this is a **determinism reproduction**, not a frozen-grid test | +| `diag_strained_sol_rung5_frozengrid.json` | rung-5 tolerances with `regridStepInterval=1e9`, `regridTimeInterval=1e30` (grid frozen after initial adaptation) | **COMPLETED**, N=100, bounded convection cost (~42 CVODE steps/global step). Under-resolved answer (peak_T/consumption_speed are off) — expected, since the point is to test integrator robustness on a non-refining grid, not accuracy | +| `diag_strained_sol_rung4p5.json` | intermediate "rung 4.5": `vtol=0.040, dvtol=0.065, gridMax=5.0e-5`, adaptation on | **COMPLETED**, N=269, converged scalars (consumption_speed 0.35915, peak_T 1558.92) — a stable grid fixed point exists just below rung 5 | + +Work dir for these runs: `build/test/convergence-work-diag/` (not committed). diff --git a/test/convergence/results/diagnostics/diag_strained_sol_rung4p5.json b/test/convergence/results/diagnostics/diag_strained_sol_rung4p5.json new file mode 100644 index 0000000..5531646 --- /dev/null +++ b/test/convergence/results/diagnostics/diag_strained_sol_rung4p5.json @@ -0,0 +1,19 @@ +{ + "tag": "diag_strained_sol_rung4p5", + "grid_kwargs": { + "vtol": 0.04, + "dvtol": 0.065, + "gridMax": 5e-05 + }, + "regridding": true, + "status": "ok", + "error": null, + "commit": "e8dcdcda9abb1a8525fca49c869f0628474537ee", + "generated_at_utc": "2026-07-05T03:29:58.387750+00:00", + "N": 269, + "peak_T": 1558.9217265643144, + "consumption_speed": 0.3591531841649894, + "final_time": 0.0062000000000000145, + "total_convection_steps": 44641, + "runtime_seconds": 4.986449718475342 +} \ No newline at end of file diff --git a/test/convergence/results/diagnostics/diag_strained_sol_rung5_frozengrid.json b/test/convergence/results/diagnostics/diag_strained_sol_rung5_frozengrid.json new file mode 100644 index 0000000..bee330f --- /dev/null +++ b/test/convergence/results/diagnostics/diag_strained_sol_rung5_frozengrid.json @@ -0,0 +1,14 @@ +{ + "tag": "diag_strained_sol_rung5_frozengrid", + "status": "ok", + "error": null, + "N": 100, + "peak_T": 1901.6639539426367, + "consumption_speed": 0.8163280572478853, + "final_time": 0.0018000000000000034, + "total_convection_steps": 7826, + "runtime_seconds": 0.5329959392547607, + "commit": "e8dcdcda9abb1a8525fca49c869f0628474537ee", + "generated_at_utc": "2026-07-05T03:31:32.115829+00:00", + "note": "regridStepInterval=1e9, regridTimeInterval=1e30 -> grid frozen after initial adaptation" +} \ No newline at end of file diff --git a/test/convergence/results/diagnostics/diag_strained_sol_rung5_noregrid.json b/test/convergence/results/diagnostics/diag_strained_sol_rung5_noregrid.json new file mode 100644 index 0000000..5af8950 --- /dev/null +++ b/test/convergence/results/diagnostics/diag_strained_sol_rung5_noregrid.json @@ -0,0 +1,19 @@ +{ + "tag": "diag_strained_sol_rung5_noregrid", + "grid_kwargs": { + "vtol": 0.033, + "dvtol": 0.055, + "gridMax": 4e-05 + }, + "regridding": false, + "status": "FAILED", + "error": "Exception('CVODE Integrator had too many errors')", + "commit": "e8dcdcda9abb1a8525fca49c869f0628474537ee", + "generated_at_utc": "2026-07-05T03:29:53.392209+00:00", + "N": null, + "peak_T": null, + "consumption_speed": null, + "final_time": null, + "total_convection_steps": 117701, + "runtime_seconds": 7.486156463623047 +} \ No newline at end of file From f2dadc69a80aea0f138e451c7521c157bca1d2db Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sat, 4 Jul 2026 23:39:23 -0400 Subject: [PATCH 21/37] convection: record task 2.2 run/analysis progress in plan Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_017CxCXLfj7MZ3qNs5eHXeXZ --- .../plans/2026-07-04-convection-discretization.md | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/docs/superpowers/plans/2026-07-04-convection-discretization.md b/docs/superpowers/plans/2026-07-04-convection-discretization.md index 6850283..0079844 100644 --- a/docs/superpowers/plans/2026-07-04-convection-discretization.md +++ b/docs/superpowers/plans/2026-07-04-convection-discretization.md @@ -349,7 +349,11 @@ protocol implementation. refinement no longer helps, the gate opens. **Steps:** -- [ ] Run full matrix; generate plots and findings addendum +- [x] Run full matrix; generate plots and findings addendum + (runs: e8dcdcd — 33/36 matrix + 5/6 dampConst rungs; deterministic + CVODE failures at finest rungs for secondOrderLimited on + strained/cylindrical, escalated. Analysis: 4d3e2f1 — spec addendum + §P2.1–P2.7) - [ ] Present findings + Phase 3 recommendation to user; record decision in the addendum - [ ] Commit: `convection: [2.2] convergence study results + phase-3 decision` From 2c4c6e50087e69e2b1fe309170a922dd27614a39 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sun, 5 Jul 2026 00:19:29 -0400 Subject: [PATCH 22/37] convection: [2.2] record phase-3 gate decision + QSS-hypothesis diagnostic Record the project owner's decision in the spec addendum: Phase 3 gate OPEN (useful accuracy envelope ~1e-4 on scalars, reached at N~100; diffusion upgrade judged worthwhile), with the tight-tolerance robustness fix routed through a short design pass. Post-review diagnostic rules out the QSS chemistry integrator as the CVODE-failure source: strained/sol/rung5 fails identically with chemistryIntegrator='cvode' (grid 496->537 non-settling, convection CVODE ~2600-2900 steps/global step, err_convectionIntegration.h5). Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_017CxCXLfj7MZ3qNs5eHXeXZ --- .../2026-07-04-convection-discretization.md | 7 ++++--- ...-07-04-convection-discretization-design.md | 21 ++++++++++++++++++- .../convergence/results/diagnostics/README.md | 7 +++++++ 3 files changed, 31 insertions(+), 4 deletions(-) diff --git a/docs/superpowers/plans/2026-07-04-convection-discretization.md b/docs/superpowers/plans/2026-07-04-convection-discretization.md index 0079844..59a467d 100644 --- a/docs/superpowers/plans/2026-07-04-convection-discretization.md +++ b/docs/superpowers/plans/2026-07-04-convection-discretization.md @@ -354,9 +354,10 @@ protocol implementation. CVODE failures at finest rungs for secondOrderLimited on strained/cylindrical, escalated. Analysis: 4d3e2f1 — spec addendum §P2.1–P2.7) -- [ ] Present findings + Phase 3 recommendation to user; record decision in - the addendum -- [ ] Commit: `convection: [2.2] convergence study results + phase-3 decision` +- [x] Present findings + Phase 3 recommendation to user; record decision in + the addendum (decision: gate OPEN; robustness fix via design pass; + QSS chemistry integrator tested and ruled out as failure source) +- [x] Commit: `convection: [2.2] convergence study results + phase-3 decision` --- diff --git a/docs/superpowers/specs/2026-07-04-convection-discretization-design.md b/docs/superpowers/specs/2026-07-04-convection-discretization-design.md index 3ee1a03..194343f 100644 --- a/docs/superpowers/specs/2026-07-04-convection-discretization-design.md +++ b/docs/superpowers/specs/2026-07-04-convection-discretization-design.md @@ -532,6 +532,15 @@ hypothesis); or (b) a grid-adaptation guard that denies the runaway a foothold isolation would need a run on a *fixed fine* grid (frozen at N≈500), which the current harness cannot seed without a `src/` change. +**Ruled out: the QSS chemistry integrator (post-review diagnostic, +2026-07-05).** All study runs used the default `chemistryIntegrator='qss'`. +Re-running strained/sol/rung 5 with `chemistryIntegrator='cvode'` (everything +else identical) reproduces the failure with the same signature — grid climbing +496→537 without settling, per-global-step convection CVODE counts ~2600–2900, +and the error artifact `err_convectionIntegration.h5` naming the convection +integrator. The failure is chemistry-integrator-independent; the mechanism +above stands. + ### P2.5 dampConst trial (strained sol, dampConst 7 → 15) Grid-point count is **identical point-for-point** (55/75/115/145/223 at rungs @@ -590,4 +599,14 @@ helps, the gate opens."* 3. **dampConst: no action.** It yields no additional coarsening headroom for the strained case (§P2.5). -**Decision: PENDING user review.** +**Decision (project owner, 2026-07-05): Phase 3 gate OPEN.** The practically +useful accuracy envelope is scalars (flame speed, peak T) to ~1e-4, perhaps +slightly tighter to follow transients longer between regrids; sol reaches that +at N≈100, and a diffusion upgrade that reduces N further is judged worth +pursuing. The tight-tolerance CVODE robustness issue (§P2.4) is to be +addressed via the recommended short design pass — the QSS chemistry integrator +was tested and ruled out as a cause (§P2.4 diagnostic note), so the fix +options remain limiter smoothing / σ-freezing and/or grid-adaptation guards +(possibly revised refinement criteria). Phase 3 planning proceeds per the +plan's process requirement (fresh brainstorming/design pass, then concrete +plan tasks). diff --git a/test/convergence/results/diagnostics/README.md b/test/convergence/results/diagnostics/README.md index d032058..d081e87 100644 --- a/test/convergence/results/diagnostics/README.md +++ b/test/convergence/results/diagnostics/README.md @@ -12,4 +12,11 @@ were made to produce them. | `diag_strained_sol_rung5_frozengrid.json` | rung-5 tolerances with `regridStepInterval=1e9`, `regridTimeInterval=1e30` (grid frozen after initial adaptation) | **COMPLETED**, N=100, bounded convection cost (~42 CVODE steps/global step). Under-resolved answer (peak_T/consumption_speed are off) — expected, since the point is to test integrator robustness on a non-refining grid, not accuracy | | `diag_strained_sol_rung4p5.json` | intermediate "rung 4.5": `vtol=0.040, dvtol=0.065, gridMax=5.0e-5`, adaptation on | **COMPLETED**, N=269, converged scalars (consumption_speed 0.35915, peak_T 1558.92) — a stable grid fixed point exists just below rung 5 | +A fourth probe (post-review, 2026-07-05, no JSON — outcome recorded in the +spec addendum §P2.4): strained/sol/rung 5 with `chemistryIntegrator='cvode'` +instead of the default `'qss'`, all else identical. **FAILED with the +identical signature** (grid 496→537 without settling, convection CVODE counts +~2600–2900/global step, `err_convectionIntegration.h5`), ruling out the QSS +chemistry integrator as the failure source. + Work dir for these runs: `build/test/convergence-work-diag/` (not committed). From 598404aa483313253411799a7aea8a88313f7df9 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sun, 5 Jul 2026 00:40:18 -0400 Subject: [PATCH 23/37] =?UTF-8?q?convection:=20record=20design-pass=20scop?= =?UTF-8?q?ing=20=E2=80=94=20equidistribution=20adaptation=20as=20primary?= =?UTF-8?q?=20candidate?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Owner direction for the robustness/Phase-3 design pass: evaluate monitor-function/error-equidistribution grid adaptation (dimensional error density replacing vtol/dvtol relative-change) as the primary candidate, against the hysteresis+growth-cap patch. Adjoint/QoI-driven refinement is deliberately out of scope for Ember and earmarked for Cantera. Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_017CxCXLfj7MZ3qNs5eHXeXZ --- .../2026-07-04-convection-discretization-design.md | 12 ++++++++++++ 1 file changed, 12 insertions(+) diff --git a/docs/superpowers/specs/2026-07-04-convection-discretization-design.md b/docs/superpowers/specs/2026-07-04-convection-discretization-design.md index 194343f..eccd951 100644 --- a/docs/superpowers/specs/2026-07-04-convection-discretization-design.md +++ b/docs/superpowers/specs/2026-07-04-convection-discretization-design.md @@ -610,3 +610,15 @@ options remain limiter smoothing / σ-freezing and/or grid-adaptation guards (possibly revised refinement criteria). Phase 3 planning proceeds per the plan's process requirement (fresh brainstorming/design pass, then concrete plan tasks). + +**Design-pass scoping (project owner, 2026-07-05):** the design pass should +evaluate **monitor-function / error-equidistribution grid adaptation** — the +user specifies a dimensional error density rather than guessing `vtol`/`dvtol` +relative-change tolerances — as the primary candidate, weighed against the +narrower hysteresis + per-regrid-growth-cap patch. Rationale: it is more +intuitive for users (an actual error scale, though not a full QoI +specification), and a fixed total-error budget removes the unstable +per-interval relative test at the root of the §P2.4 runaway. Full +adjoint/QoI-driven refinement is deliberately out of scope for Ember (no +steady residual formulation); that idea is earmarked for Cantera, whose 1D +solver is already a steady Newton method with an assembled Jacobian. From cb46717ba0d7235d7910f6b2d8e8ea590cf328a3 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sun, 5 Jul 2026 14:45:15 -0400 Subject: [PATCH 24/37] convection: spec for error-based grid adaptation design pass MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Replaces vtol/dvtol relative-change criteria with a scheme-aware local truncation error budget (range-normalized errTol), per owner decisions: replace-with-deprecation, hard acceptance on the §P2.4 CVODE failures, limiter smoothing in scope as contingency. Co-Authored-By: Claude Fable 5 --- ...7-05-error-based-grid-adaptation-design.md | 156 ++++++++++++++++++ 1 file changed, 156 insertions(+) create mode 100644 docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md diff --git a/docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md b/docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md new file mode 100644 index 0000000..226b2bc --- /dev/null +++ b/docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md @@ -0,0 +1,156 @@ +# Error-based grid adaptation (equidistribution design pass) + +**Date:** 2026-07-05 +**Branch:** `convection-scheme` +**Status:** Design approved by project owner; supersedes the vtol/dvtol +adaptation criteria as the robustness/Phase-3-precondition design pass +called for in the convection spec addendum §P2.7 and the SDD ledger +scoping note. + +## 1. Problem and goals + +Two problems, one root cause: + +1. **§P2.4 CVODE runaway.** At tight `vtol`/`dvtol`, `secondOrderLimited` + fails deterministically (strained finest rung, cylindrical finest two): + the grid refines monotonically without settling while convection CVODE + step counts diverge. Diagnosed mechanism: the relative-change tests are + *scale-free* — `|v[j+1]-v[j]| > vtol·range(v)` compares adjacent-point + jumps, and `range(dv)` itself grows as the resolved front sharpens — so + refinement can re-trigger indefinitely. `firstOrderUpwind` masks this + with numerical diffusion. +2. **Tolerances don't mean accuracy.** `vtol`/`dvtol` are resolution + heuristics: the same values produce very different solution accuracy + for the two convection schemes, so users comparing schemes (or carrying + old tolerance habits forward) draw wrong conclusions and over-refine. + +**Goals:** + +- A single user tolerance with *accuracy* semantics: same value → similar + QoI accuracy under either convection scheme, with the higher-order + scheme using fewer points. This makes the new scheme's benefit directly + visible and prevents old-tolerance carry-forward. +- Structurally remove the §P2.4 runaway: an error-budget criterion has a + grid fixed point by construction (per-cell error shrinks as h^p while + the derivative estimate converges to the true profile's finite value). + +**Owner decisions incorporated:** + +- Tolerance semantics: **range-normalized relative** local error (one + dimensionless knob; no per-species atol; near-zero minor species + handled by the existing `absvtol` floor). +- Migration: **replace with deprecation** — new criterion is the only + documented path; `vtol`/`dvtol` parse with a warning and are ignored. +- Robustness: fixing the §P2.4 failures is a **hard acceptance + criterion**; limiter σ-freeze/smoothing is in scope as a contingency if + grid changes alone don't cure them. +- Full equidistribution remesh and adjoint/QoI refinement rejected / + out of scope (QoI work earmarked for Cantera). + +## 2. Error estimator and adaptation criterion + +For each adapted variable `v_k` and grid interval `j`: + +``` +E[k][j] = C_p · h_j^p · W[k][j] +``` + +- `p` = convection scheme spatial order: 1 (`firstOrderUpwind`), + 2 (`secondOrderLimited`). +- `W[k][j]` estimates `|d^(p+1) v_k / dx^(p+1)|` near interval `j`, + built by repeated application of the existing nonuniform + first-derivative stencils (`cfp/cf/cfm`, already computed in + `adaptGrid`): `dv` as today, divided differences of `dv` for the + second derivative, once more for the third when `p = 2`. +- **Max-filter over ±1 neighboring intervals** applied to `W` to control + divided-difference noise near sharp fronts; biases conservatively + toward refinement and prevents monitor flicker. At domain ends, the + nearest interior value is used where a stencil application loses a + point. + +**Insertion** (replaces the two tests at `grid.cpp:123` and +`grid.cpp:133`): + +``` +insert if E[k][j] > errTol · range(v_k) +``` + +The `range(v_k) < absvtol` minor-species skip is unchanged. The dvtol +gradient test is *subsumed*, not ported — the (p+1)-th derivative +measures what it stood in for. + +**Removal** (same hysteresis structure as today): remove point `j` only +if the merged interval's error `E_merged[k][j]` (evaluated with +`h = hh[j]+hh[j-1]`) is below `rmTol · errTol · range(v_k)` for all `k`. +Merging ≈doubles `h`, so `E_merged ≈ 2^p ×` the sub-interval errors — +hysteresis is inherently stronger than the old criterion; `rmTol` keeps +its current role and default. + +**Calibration.** `C_p` start at theoretical interpolation-error values +and receive one empirical calibration pass on the three study cases +(strained/twin/cylindrical), chosen so matched `errTol` yields matched +measured QoI error (consumption speed, peak T) across schemes. This +calibration is what makes the parity property hold quantitatively. + +**Stated assumption.** For `p = 2` the monitor uses `h²·|v‴|` +(convection LTE) as a proxy for total local error even though the +2nd-order diffusion LTE is `h²·|v⁗|`; fourth-derivative estimation from +grid data is too noisy to be worth it and `C_2` absorbs the difference. +`p` stays scheme-based regardless of any Phase-3 diffusion-order change. + +**Untouched machinery:** damping (`dampVal`/`dampConst`), uniformity +tests, `gridMin`/`gridMax`, center/boundary special cases, boundary +add/remove logic, and the overall insert-then-remove pass structure. + +## 3. Config surface and plumbing + +- **New key `grid.errTol`** — the single range-normalized local-error + tolerance. Default chosen during calibration so `secondOrderLimited` + at defaults lands in the owner's accuracy envelope (scalars to ~1e-4, + N≈100 on the study cases). +- **Deprecation:** `vtol`/`dvtol` still parse; setting either emits a + warning (Python side, `input.py` validation, naming `errTol` as the + replacement) and the values are ignored. Docstrings and examples + updated to `errTol` only. `absvtol` unchanged. +- **Plumbing:** `readConfig` gains `errTol`; the grid error order is + derived from the existing `convectionScheme` option and passed into + `oneDimGrid` alongside the other adaptation parameters (same pathway + as `vtol_in`, `grid.cpp:18`). +- **Input validation:** `errTol > 0`; warn above ~0.5 (criterion + degenerates to "never refine"). + +## 4. Testing and acceptance + +**Unit tests (gtest, alongside the Phase-1 convergence suite; TDD):** + +1. Divided-difference estimator converges at the expected rate on + analytic profiles (tanh) on a *nonuniform* grid; max-filter behaves + at domain ends. +2. `adaptGrid` on a synthetic tanh profile meets the budget: post-adapt + `max_j E/range ≤ errTol`. +3. No-flicker/idempotence: a second adapt pass changes nothing; removed + points are not immediately re-inserted. +4. Order scaling: same profile and `errTol`, p=2 yields materially fewer + points than p=1. + +**Acceptance validation (Task 2.1 harness; strained/twin/cylindrical; +both schemes; `errTol` ladder):** + +- **Hard criterion:** at `errTol` values reaching or exceeding + old-rung-5 accuracy, all runs complete with a *settling* grid + (overshoot-then-plateau, no monotonic growth) — the §P2.4 fix + demonstrated. +- **Parity:** at matched `errTol`, fou and sol QoI errors agree within + ~2×; sol/fou point-count ratio reported. +- **Docs artifact:** measured `errTol` → QoI-error table. +- **Regression:** default-settings example runs match current baselines + within the established comparison machinery (~1e-6 reproducibility + floor); N same or fewer. + +## 5. Contingencies (pre-scoped, not pre-built) + +- **Per-regrid growth cap** — only if validation shows residual grid + creep despite the fixed-point argument. +- **Limiter σ-freeze / smoothing** — only if a previously failing + configuration still fails *with a settled grid* (pure H1 stiffness); + joins the plan as a scoped item, not a new design pass. From 5057f9733753329fa3d95a1bc1ad9b84d7755808 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sun, 5 Jul 2026 14:55:41 -0400 Subject: [PATCH 25/37] =?UTF-8?q?convection:=20amend=20grid-adaptation=20s?= =?UTF-8?q?pec=20=E2=80=94=20h^(p+1)=20exponent,=20dampVal=20fix=20scope,?= =?UTF-8?q?=20envelope=20regression=20criterion?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Pre-plan corrections: the approved h^p error form was dimensionally inconsistent (v/length vs. the errTol*range(v) threshold); corrected to the standard degree-p interpolation-error bound h^(p+1)*|d^(p+1)v| with C_1=1/8, C_2=1/15 starting constants and a documented sub-linear tol->QoI-error mapping. Scoped in a minimal fix for the pre-existing dampVal uninitialized-read in adapt(). Regression criterion restated in accuracy-envelope terms. Co-Authored-By: Claude Fable 5 --- ...7-05-error-based-grid-adaptation-design.md | 72 +++++++++++++------ 1 file changed, 51 insertions(+), 21 deletions(-) diff --git a/docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md b/docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md index 226b2bc..5d42fd6 100644 --- a/docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md +++ b/docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md @@ -7,6 +7,18 @@ adaptation criteria as the robustness/Phase-3-precondition design pass called for in the convection spec addendum §P2.7 and the SDD ledger scoping note. +**Amended 2026-07-05 (pre-plan):** (1) error-estimate exponent corrected +from `h^p` to `h^(p+1)` — the approved `h^p` form has units of v/length +and cannot be compared to `errTol·range(v)`; the corrected form is the +standard degree-p interpolation-error bound and strengthens the +fixed-point argument. (2) A minimal fix for a pre-existing bug is in +scope: `adapt()`'s damping criterion reads `dampVal` after +`updateValues()` resizes it (Eigen resize does not preserve contents), +i.e. uninitialized values once a point has been inserted. (3) The +regression criterion is restated in accuracy-envelope terms (the ~1e-6 +reproducibility floor only applies to identical configurations, which a +default-tolerance change is not). + ## 1. Problem and goals Two problems, one root cause: @@ -31,8 +43,9 @@ Two problems, one root cause: scheme using fewer points. This makes the new scheme's benefit directly visible and prevents old-tolerance carry-forward. - Structurally remove the §P2.4 runaway: an error-budget criterion has a - grid fixed point by construction (per-cell error shrinks as h^p while - the derivative estimate converges to the true profile's finite value). + grid fixed point by construction (per-cell error shrinks as h^(p+1) + while the derivative estimate converges to the true profile's finite + value). **Owner decisions incorporated:** @@ -52,7 +65,7 @@ Two problems, one root cause: For each adapted variable `v_k` and grid interval `j`: ``` -E[k][j] = C_p · h_j^p · W[k][j] +E[k][j] = C_p · h_j^(p+1) · W[k][j] ``` - `p` = convection scheme spatial order: 1 (`firstOrderUpwind`), @@ -82,25 +95,39 @@ measures what it stood in for. **Removal** (same hysteresis structure as today): remove point `j` only if the merged interval's error `E_merged[k][j]` (evaluated with `h = hh[j]+hh[j-1]`) is below `rmTol · errTol · range(v_k)` for all `k`. -Merging ≈doubles `h`, so `E_merged ≈ 2^p ×` the sub-interval errors — -hysteresis is inherently stronger than the old criterion; `rmTol` keeps -its current role and default. - -**Calibration.** `C_p` start at theoretical interpolation-error values -and receive one empirical calibration pass on the three study cases -(strained/twin/cylindrical), chosen so matched `errTol` yields matched -measured QoI error (consumption speed, peak T) across schemes. This -calibration is what makes the parity property hold quantitatively. - -**Stated assumption.** For `p = 2` the monitor uses `h²·|v‴|` -(convection LTE) as a proxy for total local error even though the -2nd-order diffusion LTE is `h²·|v⁗|`; fourth-derivative estimation from -grid data is too noisy to be worth it and `C_2` absorbs the difference. -`p` stays scheme-based regardless of any Phase-3 diffusion-order change. +Merging ≈doubles `h`, so `E_merged ≈ 2^(p+1) ×` the sub-interval +errors — hysteresis is inherently stronger than the old criterion; +`rmTol` keeps its current role and default. + +**Calibration.** `C_p` start at the classical interpolation-error +bounds — `C_1 = 1/8` (piecewise-linear), `C_2 = 1/15` (≈ piecewise- +quadratic) — and receive one empirical calibration pass on the three +study cases (strained/twin/cylindrical), chosen so matched `errTol` +yields matched measured QoI error (consumption speed, peak T) across +schemes at the practical operating point. Exact parity at *every* +tolerance is not achievable with schemes of different order: with this +monitor, QoI error scales ≈ `errTol^(p/(p+1))`, so the cross-scheme +error ratio drifts slowly (≈ `errTol^(1/6)`) away from the calibration +point. The measured `errTol` → QoI-error table (§4) documents the +actual mapping; the ~2× parity band in §4 covers the drift over the +practical tolerance range. + +**Stated assumption.** For `p = 2` the monitor uses `h³·|v‴|` (the +quadratic-representation error associated with the convection scheme) +as a proxy for total local error; no separate fourth-derivative term is +included for the 2nd-order diffusion operator's error, since +fourth-derivative estimation from grid data is too noisy to be worth it +and `C_2` absorbs the difference. `p` stays scheme-based regardless of +any Phase-3 diffusion-order change. **Untouched machinery:** damping (`dampVal`/`dampConst`), uniformity tests, `gridMin`/`gridMax`, center/boundary special cases, boundary add/remove logic, and the overall insert-then-remove pass structure. +One exception (pre-existing bug, minimal in-scope fix): `adapt()` must +maintain a working copy of `dampVal` that is kept consistent as points +are inserted/removed, because `updateValues()` resizes `dampVal` +without preserving its contents, leaving the damping criterion reading +uninitialized values mid-pass once the grid has changed. ## 3. Config surface and plumbing @@ -143,9 +170,12 @@ both schemes; `errTol` ladder):** - **Parity:** at matched `errTol`, fou and sol QoI errors agree within ~2×; sol/fou point-count ratio reported. - **Docs artifact:** measured `errTol` → QoI-error table. -- **Regression:** default-settings example runs match current baselines - within the established comparison machinery (~1e-6 reproducibility - floor); N same or fewer. +- **Regression:** default-settings example runs reproduce the phase-1 + baseline QoI scalars within the owner's accuracy envelope (consumption + speed and peak T within 0.5%); N same or fewer. (The ~1e-6 + reproducibility floor applies only to identical configurations and is + not the standard here, since the default tolerance necessarily + changes.) ## 5. Contingencies (pre-scoped, not pre-built) From 5d4febe1625cc89709ff72b70bbfca054c2dd02a Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sun, 5 Jul 2026 15:00:01 -0400 Subject: [PATCH 26/37] convection: implementation plan for error-based grid adaptation (G1-G7) Co-Authored-By: Claude Fable 5 --- .../2026-07-05-error-based-grid-adaptation.md | 1000 +++++++++++++++++ 1 file changed, 1000 insertions(+) create mode 100644 docs/superpowers/plans/2026-07-05-error-based-grid-adaptation.md diff --git a/docs/superpowers/plans/2026-07-05-error-based-grid-adaptation.md b/docs/superpowers/plans/2026-07-05-error-based-grid-adaptation.md new file mode 100644 index 0000000..9ebed1c --- /dev/null +++ b/docs/superpowers/plans/2026-07-05-error-based-grid-adaptation.md @@ -0,0 +1,1000 @@ +# Error-Based Grid Adaptation Implementation Plan + +> **For agentic workers:** REQUIRED SUB-SKILL: Use superpowers:subagent-driven-development (recommended) or superpowers:executing-plans to implement this plan task-by-task. Steps use checkbox (`- [ ]`) syntax for tracking. + +**Goal:** Replace Ember's vtol/dvtol relative-change grid adaptation with a scheme-aware local-error budget (`grid.errTol`), fixing the §P2.4 tight-tolerance CVODE runaway and making the same tolerance mean the same accuracy under both convection schemes. + +**Architecture:** A new per-interval error estimate `E = C_p · h^(p+1) · |d^(p+1)v|` (p = convection scheme order) replaces the two relative-change tests inside the existing `OneDimGrid::adapt()` insert/remove framework. Everything else in adaptation (damping, uniformity, min/max spacing, boundary logic, `rmTol` hysteresis structure) is preserved, except a minimal fix so `dampVal` stays consistent while the grid changes mid-pass. Python config gains `errTol`; `vtol`/`dvtol` are deprecated and ignored. + +**Tech Stack:** C++ (Eigen, GoogleTest via `scons`), Cython bridge (`_ember.pxd`/`_ember.pyx`), Python config layer (`input.py`, pytest), convergence harness in `test/convergence/`. + +**Spec:** `docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md` (as amended 2026-07-05 — note the `h^(p+1)` exponent). + +## Global Constraints + +- Branch: `convection-scheme`. **No push, no PR** (owner decision; branch is held locally). +- Both convection schemes (`firstOrderUpwind`, `secondOrderLimited`) must remain fully working; the error order follows the scheme. +- Do not touch the diffusion operator (that is Phase 3, separately gated). +- `absvtol`, `rmTol`, damping, uniformity, `gridMin`/`gridMax`, center/boundary logic keep their current roles; only the two vtol/dvtol tests are replaced (plus the scoped `dampVal` consistency fix). +- Initial estimator constants: `C_1 = 1/8` (p=1), `C_2 = 1/15` (p=2); Task G5 calibrates `C_2` and the default `errTol`. Provisional `errTol` default: `2e-3`. +- Commit messages: `convection: [G] `. +- Build: `pixi run -- scons bin/unittest` (unit-test binary only) or `pixi run test` (full C++ + Python suite). If running `bin/unittest` directly fails with library-path errors, fall back to `pixi run -- scons test`. +- The hard acceptance criterion (Task G6): configurations at accuracy targets at/beyond the old failing rungs (strained rung 5, cylindrical rungs 4–5) must complete with a settling grid. If they don't, STOP and report — contingencies (growth cap, limiter σ-freeze) are an owner decision per spec §5. + +## File Structure + +- `src/grid.h` / `src/grid.cpp` — `errTol`/`errorOrder`/`errCoeff` members, `computeErrorWeights()`, new insert/remove tests, `dampVal` consistency fix. (Removes `vtol_in`, `dvtol_in`, `vtol`, `dvtol`.) +- `src/readConfig.h` — `errTol` field replaces `vtol`/`dvtol`. +- `python/ember/_ember.pxd`, `python/ember/_ember.pyx` — struct field + option transfer. +- `python/ember/input.py` — `Grid.errTol` option, vtol/dvtol deprecation, `Config._warnDeprecated()`. +- `python/ember/examples/example_laminarFlameSpeed.py` — only example that sets vtol/dvtol. +- `test/test_gridAdaptation.cpp` — new gtest file (picked up automatically by the `Glob('build/test/*.cpp')` in SConstruct). +- `test/python/test_config.py` — deprecation-warning tests. +- `test/convergence/run_convergence.py`, `test/convergence/plot_convergence.py`, new `test/convergence/analyze_settling.py` — errTol ladder, settling analysis. + +--- + +### Task G1: Error-weight estimator (`computeErrorWeights`) + +**Files:** +- Modify: `src/grid.h` (members near line 48, method declaration near line 185) +- Modify: `src/grid.cpp` (implementation after `setOptions`) +- Create: `test/test_gridAdaptation.cpp` + +**Interfaces:** +- Produces: `void OneDimGrid::computeErrorWeights(const dvector& v, dvector& W) const` — fills `W` (size `jj+1`) with nodal estimates of `|d^(errorOrder+1) v / dx^(errorOrder+1)|`; requires `updateValues()` to have been called. New public members `double errTol; int errorOrder; double errCoeff;` (used by G2's criterion). Existing `vtol_in`/`dvtol_in`/`vtol`/`dvtol` members are NOT removed yet (G2 does that) so the build stays green. + +- [ ] **Step 1: Write the failing test** + +Create `test/test_gridAdaptation.cpp`: + +```cpp +#include "../src/grid.h" +#include "../src/mathUtils.h" +#include "gtest/gtest.h" + +#include +#include + +namespace { + +const double kXcenter = 1e-3; // tanh front center [m] +const double kDelta = 1e-4; // tanh front thickness [m] + +double tanhProfile(double xx) { + return std::tanh((xx - kXcenter) / kDelta); +} + +//! Planar grid with FixedValue BCs and adaptation parameters chosen so that +//! only the criteria under test can fire (damping/gridMax neutralized). +OneDimGrid makeAdaptGrid(const dvec& x) +{ + OneDimGrid grid; + grid.alpha = 0; + grid.beta = 1; + grid.leftBC = BoundaryCondition::FixedValue; + grid.rightBC = BoundaryCondition::FixedValue; + grid.setSize(x.size()); + grid.x = x; + grid.absvtol = 1e-10; + grid.rmTol = 0.6; + grid.uniformityTol = 2.5; + grid.gridMin = 1e-8; + grid.gridMax = 1e-1; + grid.dampConst = 7; + grid.centerGridMin = 1e-8; + grid.fixedLeftLoc = false; + grid.errTol = 2e-3; + grid.errorOrder = 2; + grid.errCoeff = 1.0 / 15.0; + grid.updateValues(); + grid.dampVal = dvec::Constant(grid.nPoints, 1e6); // damping never binds + return grid; +} + +dvec uniformGrid(size_t n, double x0, double x1) +{ + dvec x(n); + for (size_t j = 0; j < n; j++) { + x[j] = x0 + (x1 - x0) * j / (n - 1); + } + return x; +} + +dvector sampleProfile(const OneDimGrid& grid) +{ + dvector v(grid.nPoints); + for (size_t j = 0; j < grid.nPoints; j++) { + v[j] = tanhProfile(grid.x[j]); + } + return v; +} + +double maxWeight(OneDimGrid& grid, const dvector& v) +{ + dvector W; + grid.computeErrorWeights(v, W); + return *std::max_element(W.begin(), W.end()); +} + +} // namespace + +// max|v''| = (4/(3*sqrt(3)))/delta^2 for tanh; max|v'''| = 2/delta^3. +TEST(GridAdaptation, ErrorWeightConvergesToAnalytic) +{ + double d2exact = 4.0 / (3.0 * std::sqrt(3.0)) / (kDelta * kDelta); + double d3exact = 2.0 / (kDelta * kDelta * kDelta); + + OneDimGrid coarse = makeAdaptGrid(uniformGrid(65, 0, 2e-3)); + OneDimGrid fine = makeAdaptGrid(uniformGrid(257, 0, 2e-3)); + dvector vCoarse = sampleProfile(coarse); + dvector vFine = sampleProfile(fine); + + // p = 2: third-derivative magnitude + double e3c = std::abs(maxWeight(coarse, vCoarse) - d3exact) / d3exact; + double e3f = std::abs(maxWeight(fine, vFine) - d3exact) / d3exact; + EXPECT_LT(e3f, 0.05); + EXPECT_LT(e3f, e3c); + + // p = 1: second-derivative magnitude + coarse.errorOrder = 1; + fine.errorOrder = 1; + double e2c = std::abs(maxWeight(coarse, vCoarse) - d2exact) / d2exact; + double e2f = std::abs(maxWeight(fine, vFine) - d2exact) / d2exact; + EXPECT_LT(e2f, 0.05); + EXPECT_LT(e2f, e2c); +} + +TEST(GridAdaptation, ErrorWeightToleratesNonuniformGrid) +{ + // Geometrically stretched grid (ratio 1.02) that still resolves the + // front: spacing at x = kXcenter is ~2.2e-5 = delta/4.5 + dvec x(220); + double xx = 0, h = 2e-6; + for (int j = 0; j < 220; j++) { + x[j] = xx; + xx += h; + h *= 1.02; + } + OneDimGrid grid = makeAdaptGrid(x); + dvector v = sampleProfile(grid); + + double d3exact = 2.0 / (kDelta * kDelta * kDelta); + EXPECT_NEAR(maxWeight(grid, v), d3exact, 0.4 * d3exact); +} +``` + +- [ ] **Step 2: Run to verify it fails to compile** + +```bash +pixi run -- scons bin/unittest +``` + +Expected: compile error — `no member named 'computeErrorWeights' in 'OneDimGrid'` (and missing `errTol`/`errorOrder`/`errCoeff`). + +- [ ] **Step 3: Add members and implementation** + +In `src/grid.h`, after the `absvtol` member (line ~64), add (do not remove vtol/dvtol yet): + +```cpp + //! Local-error tolerance for grid adaptation. The estimated local + //! representation error of each adapted component must be smaller than + //! errTol times the component's range. Set from ConfigOptions in + //! setOptions(). + double errTol; + + //! Spatial order p of the active convection scheme (1: firstOrderUpwind, + //! 2: secondOrderLimited). The adaptation error estimate scales as + //! h^(p+1) * |d^(p+1)v/dx^(p+1)|. Set in setOptions(). + int errorOrder; + + //! Leading coefficient C_p of the local error estimate + //! E = C_p * h^(p+1) * |d^(p+1)v|. Initial values are the classical + //! interpolation-error bounds (1/8 for p=1, 1/15 for p=2); the p=2 + //! value is calibrated so matched errTol gives matched accuracy across + //! convection schemes. Set in setOptions(). + double errCoeff; +``` + +In `src/grid.h`, next to the `setOptions` declaration (line ~185), add: + +```cpp + //! Estimate the nodal magnitude of the (#errorOrder + 1)-th derivative + //! of v, the weight in the local error estimate used by adapt(). + //! Repeated application of the nonuniform first-derivative stencils; + //! end nodes copy the nearest interior estimate. updateValues() must + //! have been called first. + void computeErrorWeights(const dvector& v, dvector& W) const; +``` + +In `src/grid.cpp`, after `setOptions` (line ~41), add: + +```cpp +void OneDimGrid::computeErrorWeights(const dvector& v, dvector& W) const +{ + W.assign(jj + 1, 0.0); + if (jj < 2) { + return; + } + + // Nodal first and second derivatives from the nonuniform + // centered-difference coefficients; end nodes copy the nearest + // interior estimate. + dvector d1(jj + 1), d2(jj + 1); + for (size_t i = 1; i < jj; i++) { + d1[i] = cfp[i] * v[i+1] + cf[i] * v[i] + cfm[i] * v[i-1]; + } + d1[0] = d1[1]; + d1[jj] = d1[jj-1]; + + for (size_t i = 1; i < jj; i++) { + d2[i] = cfp[i] * d1[i+1] + cf[i] * d1[i] + cfm[i] * d1[i-1]; + } + d2[0] = d2[1]; + d2[jj] = d2[jj-1]; + + if (errorOrder == 1) { + for (size_t i = 0; i <= jj; i++) { + W[i] = std::abs(d2[i]); + } + } else { + for (size_t i = 1; i < jj; i++) { + W[i] = std::abs(cfp[i] * d2[i+1] + cf[i] * d2[i] + cfm[i] * d2[i-1]); + } + W[0] = W[1]; + W[jj] = W[jj-1]; + } +} +``` + +(Add `#include ` to grid.cpp if `std::abs` on doubles is not already available via existing includes.) + +- [ ] **Step 4: Run tests to verify they pass** + +```bash +pixi run -- scons bin/unittest && ./bin/unittest --gtest_filter='GridAdaptation.*' +``` + +Expected: both `GridAdaptation` tests PASS. If the 5% bound in `ErrorWeightConvergesToAnalytic` fails marginally, check stencil indexing before loosening anything — the repeated-stencil estimate on a uniform grid should be well within 5% at N=257 for these profiles. + +- [ ] **Step 5: Run the full existing gtest suite (no regressions)** + +```bash +./bin/unittest +``` + +Expected: all tests pass (existing `ConvectionDifferencer` etc. untouched). + +- [ ] **Step 6: Commit** + +```bash +git add src/grid.h src/grid.cpp test/test_gridAdaptation.cpp +git commit -m "convection: [G1] scheme-aware error-weight estimator on OneDimGrid" +``` + +--- + +### Task G2: Error-budget criterion in `adapt()` + plumbing + dampVal fix + +**Files:** +- Modify: `src/grid.h` (remove `vtol_in`/`dvtol_in`/`vtol`/`dvtol` at lines 46–60; rewrite the `adapt()` doc comment at lines 150–171) +- Modify: `src/grid.cpp` (`setOptions` lines 16–41; `adapt()` insertion lines ~95–142 and removal lines ~233–300 plus the `removePoint` call site; end of `adapt()`) +- Modify: `src/readConfig.h` (lines 145–146) +- Modify: `python/ember/_ember.pxd` (line 91), `python/ember/_ember.pyx` (lines 295–296) +- Modify: `python/ember/input.py` (Grid class, line ~395) +- Test: `test/test_gridAdaptation.cpp` (new tests) + +**Interfaces:** +- Consumes: `computeErrorWeights`, `errTol`/`errorOrder`/`errCoeff` from G1; existing `ConfigOptions::convectionScheme` string (`src/readConfig.h:79`). +- Produces: `ConfigOptions::errTol` (double, replaces `vtol`/`dvtol` fields); Python option `Grid.errTol` (`FloatOption(2e-3, min=0)`) forwarded as `opts.errTol`; `adapt()` behavior contract relied on by G4–G7: budget met at convergence, hysteretic removal, dampVal kept consistent. + +- [ ] **Step 1: Write the failing tests** + +Append to `test/test_gridAdaptation.cpp` (inside the same file; helpers go in the anonymous namespace): + +```cpp +namespace { + +//! Refill y from the analytic profile (mimics the solver re-solving on the +//! new grid), reset dampVal, and run one adapt() pass. +void adaptOnce(OneDimGrid& grid, std::vector& y) +{ + y[0].resize(grid.nPoints); + for (size_t j = 0; j < grid.nPoints; j++) { + y[0][j] = tanhProfile(grid.x[j]); + } + grid.dampVal = dvec::Constant(grid.nPoints, 1e6); + grid.updated = false; + grid.adapt(y); +} + +//! adapt() to a fixed point; returns iterations used (maxIter = no fixed point). +int adaptToConvergence(OneDimGrid& grid, std::vector& y, int maxIter = 25) +{ + for (int i = 0; i < maxIter; i++) { + adaptOnce(grid, y); + if (!grid.updated) { + return i; + } + } + return maxIter; +} + +//! Max-filtered interval error estimate, mirroring the criterion in adapt(). +double intervalError(OneDimGrid& grid, const dvector& v, size_t j) +{ + dvector W; + grid.computeErrorWeights(v, W); + size_t i0 = (j == 0) ? 0 : j - 1; + size_t i1 = std::min(j + 2, grid.jj); + double w = 0; + for (size_t i = i0; i <= i1; i++) { + w = std::max(w, W[i]); + } + return grid.errCoeff * std::pow(grid.hh[j], grid.errorOrder + 1) * w; +} + +} // namespace + +TEST(GridAdaptation, MeetsErrorBudgetOnTanh) +{ + OneDimGrid grid = makeAdaptGrid(uniformGrid(17, 0, 2e-3)); + std::vector y(1); + grid.nAdapt = 1; + + int iters = adaptToConvergence(grid, y); + ASSERT_LT(iters, 25) << "grid did not reach a fixed point"; + + grid.updateValues(); + double vRange = mathUtils::range(y[0]); + for (size_t j = 0; j < grid.jj; j++) { + EXPECT_LE(intervalError(grid, y[0], j), grid.errTol * vRange * 1.000001) + << "budget violated at interval " << j; + } + EXPECT_GT(grid.nPoints, 20u); + EXPECT_LT(grid.nPoints, 500u); +} + +TEST(GridAdaptation, SecondPassIsIdempotent) +{ + OneDimGrid grid = makeAdaptGrid(uniformGrid(17, 0, 2e-3)); + std::vector y(1); + grid.nAdapt = 1; + ASSERT_LT(adaptToConvergence(grid, y), 25); + + adaptOnce(grid, y); + EXPECT_FALSE(grid.updated) << "converged grid changed on an extra pass"; +} + +TEST(GridAdaptation, HigherOrderNeedsFewerPoints) +{ + OneDimGrid g2 = makeAdaptGrid(uniformGrid(17, 0, 2e-3)); // p=2 + OneDimGrid g1 = makeAdaptGrid(uniformGrid(17, 0, 2e-3)); + g1.errorOrder = 1; + g1.errCoeff = 0.125; + + std::vector y1(1), y2(1); + g1.nAdapt = 1; + g2.nAdapt = 1; + ASSERT_LT(adaptToConvergence(g1, y1), 25); + ASSERT_LT(adaptToConvergence(g2, y2), 25); + EXPECT_GT(g1.nPoints, g2.nPoints); +} + +TEST(GridAdaptation, CoarsensOverresolvedGrid) +{ + OneDimGrid grid = makeAdaptGrid(uniformGrid(513, 0, 2e-3)); + std::vector y(1); + grid.nAdapt = 1; + + ASSERT_LT(adaptToConvergence(grid, y), 25); + EXPECT_LT(grid.nPoints, 300u) << "over-resolved grid was not coarsened"; + + grid.updateValues(); + double vRange = mathUtils::range(y[0]); + for (size_t j = 0; j < grid.jj; j++) { + EXPECT_LE(intervalError(grid, y[0], j), grid.errTol * vRange * 1.000001); + } +} + +TEST(GridAdaptation, DampValRespectedWhileGridChanges) +{ + OneDimGrid grid = makeAdaptGrid(uniformGrid(17, 0, 2e-3)); + std::vector y(1); + grid.nAdapt = 1; + + // Damping limit hh <= dampConst*dampVal = 2e-5 in the left half only. + // Uses a custom loop because dampVal must be re-set every pass. + for (int i = 0; i < 25; i++) { + y[0].resize(grid.nPoints); + for (size_t j = 0; j < grid.nPoints; j++) { + y[0][j] = tanhProfile(grid.x[j]); + } + grid.dampVal.resize(grid.nPoints); + for (size_t j = 0; j < grid.nPoints; j++) { + grid.dampVal[j] = (grid.x[j] < 1e-3) ? 2e-5 / grid.dampConst : 1e6; + } + grid.updated = false; + grid.adapt(y); + if (!grid.updated) { + break; + } + } + ASSERT_FALSE(grid.updated); + + grid.updateValues(); + for (size_t j = 0; j < grid.jj; j++) { + if (grid.x[j + 1] < 1e-3) { + EXPECT_LE(grid.hh[j], 2e-5 * 1.01) + << "damping limit violated at j = " << j; + } + } +} +``` + +- [ ] **Step 2: Run to verify the new tests fail** + +```bash +pixi run -- scons bin/unittest && ./bin/unittest --gtest_filter='GridAdaptation.*' +``` + +Expected: compiles (members still exist), but `MeetsErrorBudgetOnTanh`, `CoarsensOverresolvedGrid`, `DampValRespectedWhileGridChanges` FAIL — `adapt()` still uses vtol/dvtol (uninitialized in these tests may also assert/misbehave; any failure mode is acceptable evidence here as long as the tests run after Step 3). + +- [ ] **Step 3: Replace the criterion in `adapt()` and wire the options** + +3a. `src/readConfig.h` lines 145–146: replace + +```cpp + double vtol; //!< [grid.vtol] + double dvtol; //!< [grid.dvtol] +``` + +with + +```cpp + double errTol; //!< [grid.errTol] +``` + +3b. `src/grid.cpp` `setOptions`: replace lines 18–19 (`vtol_in`/`dvtol_in` assignments) with + +```cpp + errTol = options.errTol; + if (options.convectionScheme == "firstOrderUpwind") { + errorOrder = 1; + errCoeff = 0.125; // 1/8: piecewise-linear representation error + } else { + errorOrder = 2; + errCoeff = 1.0/15.0; // ~quadratic representation error; calibrated in [G5] + } +``` + +3c. `src/grid.h`: delete the `vtol_in`, `dvtol_in`, `vtol`, `dvtol` members (lines 46–60). Rewrite the `adapt()` doc comment (lines 150–171) to describe the new algorithm: + +```cpp + //! *Adaptation algorithm* + //! + //! Insertion is performed first. For each adapted component f with + //! range(f) >= #absvtol, the local representation error of interval j + //! is estimated as + //! E = C_p * hh[j]^(p+1) * max|d^(p+1) f| + //! where p (#errorOrder) is the spatial order of the convection scheme, + //! C_p is #errCoeff, and the derivative magnitude is taken as the + //! maximum of the estimates (computeErrorWeights()) at the nodes within + //! one interval of j. A point is inserted in interval j if + //! E > errTol * range(f) + //! or if the damping, maximum-spacing, or uniformity criteria require + //! one. + //! + //! Removal is considered next: point j is removed only if, for every + //! component, the estimate E evaluated for the merged interval + //! (hh[j]+hh[j-1], derivative maximum over nodes within two of j) stays + //! below rmTol * errTol * range(f), and the damping, maximum-spacing, + //! and uniformity criteria all permit it. Since merging roughly doubles + //! h and E scales as h^(p+1), removal has strong built-in hysteresis. +``` + +3d. `src/grid.cpp` `adapt()`: at the top (after `setSize(y[0].size())`, line ~82), delete the `vtol`/`dvtol` per-component resize block (lines 84–89) and add the working `dampVal` copy: + +```cpp + // Working copy of dampVal kept consistent with the changing grid. + // updateValues() resizes dampVal without preserving its contents, so + // the member cannot be read safely once a point has been added or + // removed within this pass. + dvector dampLocal(dampVal.data(), dampVal.data() + nPoints); +``` + +Replace `dvector dv(jj+1);` (line ~98) with `dvector W;`. + +Replace the per-variable insertion tests (lines 105–142, the `for (size_t k...)` loop body computing `dv`, `vRange`, `dvRange` and the two `if` tests) with: + +```cpp + // Consider the local error estimate for each variable v in y + for (size_t k=0; k errTol*vRange) { + insert = true; + if (debugParameters::debugAdapt) { + logFile.write(format("Adapt: local error wants grid point" + " j = %i, k = %i; E/range = %g > %g") % + j % k % (E/vRange) % errTol); + } + } + } +``` + +In the damping criterion (line ~145) and its removal twin (line ~283), replace `dampVal[j]` with `dampLocal[j]`. + +In the insertion branch (line ~212, `if (insert) { ... addPoint(...); ... }`), after `addPoint(static_cast(j), y);` add: + +```cpp + dampLocal.insert(dampLocal.begin() + j + 1, + 0.5*(dampLocal[j] + dampLocal[j+1])); +``` + +Replace the per-variable removal tests (lines 243–280) with: + +```cpp + for (size_t k=0; k rmTol*errTol*vRange) { + if (debugParameters::debugAdapt) { + logFile.write(format( + "Adapt: no removal - error budget. j = %i, k = %i;" + " E/range = %g > %g") % + j % k % (E/vRange) % (rmTol*errTol)); + } + remove = false; + } + } +``` + +(The removal loop needs its own `dvector W;` if the insertion one is out of scope.) + +At the `removePoint` call site in the removal loop (where `removePoint(static_cast(j), y);` is called and `updated` is set, line ~335–345), add immediately after `removePoint(...)`: + +```cpp + dampLocal.erase(dampLocal.begin() + j); +``` + +At the end of `adapt()` (after the removal loop, before the final logging/return, line ~350), write the maintained copy back so callers see a consistent array: + +```cpp + dampVal = Eigen::Map(dampLocal.data(), dampLocal.size()); +``` + +3e. `python/ember/_ember.pxd` line 91: change + +``` + double vtol, dvtol, rmTol, dampConst, gridMin, gridMax +``` + +to + +``` + double errTol, rmTol, dampConst, gridMin, gridMax +``` + +3f. `python/ember/_ember.pyx` lines 295–296: replace the two assignments with + +```python + opts.errTol = self.grid.errTol +``` + +3g. `python/ember/input.py`, in `class Grid` (before `vtol`, line ~397), add: + +```python + #: Target relative accuracy of the solution on the adapted grid. The + #: estimated local truncation error of each state-vector component is + #: kept below ``errTol`` times that component's range, using an error + #: estimate that accounts for the order of the selected + #: ``general.convectionScheme``. The same value yields similar solution + #: accuracy under either scheme; the higher-order scheme needs fewer + #: grid points. For high accuracy, ``errTol = 5e-4``; for minimal + #: accuracy, ``errTol = 0.01``. + errTol = FloatOption(2e-3, min=0) +``` + +(Leave `vtol`/`dvtol` defined for now — G3 handles deprecation. They are simply no longer forwarded.) + +- [ ] **Step 4: Build and run the gtest suite** + +```bash +pixi run -- scons bin/unittest && ./bin/unittest --gtest_filter='GridAdaptation.*' +``` + +Expected: all `GridAdaptation` tests PASS, including the G1 ones. + +- [ ] **Step 5: Run the full test suite (C++ + Python)** + +```bash +pixi run test +``` + +Expected: PASS. Watch for: (a) Cython rebuild picking up the pxd change; (b) `test/python/test_config.py` or `test_flame_configs.py` referencing `vtol` — if a test sets `Grid(vtol=...)`, switch it to `errTol` with a comparable resolution (`vtol=0.12` ↔ `errTol=2e-3` provisionally). Report any such edits in the commit message. + +- [ ] **Step 6: Commit** + +```bash +git add src/grid.h src/grid.cpp src/readConfig.h python/ember/_ember.pxd python/ember/_ember.pyx python/ember/input.py test/test_gridAdaptation.cpp +git commit -m "convection: [G2] error-budget adaptation criterion replaces vtol/dvtol; dampVal kept consistent in adapt()" +``` + +--- + +### Task G3: Deprecation UX for vtol/dvtol + +**Files:** +- Modify: `python/ember/input.py` (Grid class lines ~397–405; `Config.validate()` line ~937) +- Modify: `python/ember/examples/example_laminarFlameSpeed.py` (line 26) +- Test: `test/python/test_config.py` + +**Interfaces:** +- Consumes: `Grid.errTol` option (G2); `Option.isSet` (set in `input.py:178` when a user passes the kwarg). +- Produces: `Config._warnDeprecated()` — prints warnings, returns nothing; called at the top of `Config.validate()`. + +- [ ] **Step 1: Write the failing tests** + +Add to `test/python/test_config.py` (match the file's existing import style; `Config` and `Grid` come from `ember.input`): + +```python +def test_deprecated_grid_tolerances_warn(capsys): + conf = input.Config(input.Grid(vtol=0.1, dvtol=0.15)) + conf._warnDeprecated() + out = capsys.readouterr().out + assert 'deprecated' in out + assert 'errTol' in out + + +def test_errtol_produces_no_warning(capsys): + conf = input.Config(input.Grid(errTol=1e-3)) + conf._warnDeprecated() + assert capsys.readouterr().out == '' + + +def test_absurd_errtol_warns(capsys): + conf = input.Config(input.Grid(errTol=0.9)) + conf._warnDeprecated() + assert 'errTol' in capsys.readouterr().out +``` + +(If the module is imported differently there — e.g. `from ember import input` vs `import ember`, follow the file. Do not add a new import style.) + +- [ ] **Step 2: Run to verify failure** + +```bash +pixi run -- python -m pytest test/python/test_config.py -v -k deprecated +``` + +Expected: FAIL — `Config` has no attribute `_warnDeprecated`. (If pytest must run via scons in this env, use `pixi run test` and read the pytest section.) + +- [ ] **Step 3: Implement** + +3a. `python/ember/input.py`, `class Grid`: replace the `vtol` and `dvtol` docstrings/options with: + +```python + #: Deprecated and ignored. Grid resolution is controlled by + #: :attr:`errTol`. + vtol = FloatOption(None, level=3) + + #: Deprecated and ignored. Grid resolution is controlled by + #: :attr:`errTol`. + dvtol = FloatOption(None, level=3) +``` + +3b. In `class Config`, add a method and call it first in `validate()` (line ~937): + +```python + def _warnDeprecated(self): + if self.grid.vtol.isSet or self.grid.dvtol.isSet: + print("WARNING: 'grid.vtol' and 'grid.dvtol' are deprecated and have" + " no effect.\n" + " Grid resolution is now controlled by the local-error" + " tolerance 'grid.errTol';\n" + " the same errTol gives similar accuracy for either" + " convection scheme.") + if self.grid.errTol.value is not None and self.grid.errTol.value > 0.5: + print("WARNING: 'grid.errTol' > 0.5 effectively disables grid" + " refinement.") +``` + +and in `validate()`: + +```python + def validate(self): + self._warnDeprecated() + error = False +``` + +3c. `python/ember/examples/example_laminarFlameSpeed.py` line 26: replace + +```python + Grid(vtol=0.1, dvtol=0.15, gridMin=5e-6, gridMax=0.001), +``` + +with + +```python + Grid(errTol=1.5e-3, gridMin=5e-6, gridMax=0.001), +``` + +(Provisional value — G6 revisits after calibration.) + +- [ ] **Step 4: Run the tests** + +```bash +pixi run -- python -m pytest test/python/test_config.py -v +``` + +Expected: all PASS, including the three new tests. + +- [ ] **Step 5: Commit** + +```bash +git add python/ember/input.py python/ember/examples/example_laminarFlameSpeed.py test/python/test_config.py +git commit -m "convection: [G3] deprecate vtol/dvtol with warnings; errTol docs and example update" +``` + +--- + +### Task G4: Convergence harness on the errTol ladder + +**Files:** +- Modify: `test/convergence/run_convergence.py` (docstring lines ~43–49; `RUNGS` lines 95–101; `_grid_kwargs` lines ~108–113; metadata lines ~230–231) +- Create: `test/convergence/analyze_settling.py` + +**Interfaces:** +- Consumes: `Grid.errTol` end-to-end (G2/G3); existing CLI (`--case`, `--scheme`, `--rung/--rungs`, `--outdir`, `--workdir`, `--retries`, `--list-rungs`). +- Produces: errTol-based `RUNGS`; result JSONs carrying `errTol` instead of `vtol`/`dvtol`; `analyze_settling.py` with `n_trajectory(case_dir) -> list[int]` (from `prof*.h5` file grid sizes) and `grid_settled(traj, tail_frac=0.25, tol_pts=3) -> bool`, used by G5/G6 analysis. + +- [ ] **Step 1: Replace the rung ladder** + +In `test/convergence/run_convergence.py` replace `RUNGS` (lines 95–101) with: + +```python +# errTol ladder, coarse -> fine, ~2.5x per rung. gridMax co-scales as in the +# Task 2.1 vtol ladder so the far field stays bounded. Rung 5 targets +# accuracy at or beyond the old vtol rung-5 (the P2.4 failure regime). +RUNGS = [ + dict(errTol=2.0e-2, gridMax=4.0e-4), # 0: coarsest + dict(errTol=8.0e-3, gridMax=2.5e-4), # 1 + dict(errTol=3.2e-3, gridMax=1.6e-4), # 2 + dict(errTol=1.3e-3, gridMax=1.0e-4), # 3 + dict(errTol=5.0e-4, gridMax=6.3e-5), # 4 + dict(errTol=2.0e-4, gridMax=4.0e-5), # 5: finest +] +``` + +Update `_grid_kwargs` (line ~110) to `kwargs = dict(errTol=r['errTol'], gridMax=r['gridMax'])`, the metadata dict (lines ~230–231) to record `'errTol': concrete.grid.errTol,` (drop the `dvtol` line), and the module docstring ladder description (lines ~43–49) to describe the errTol ladder. Grep the file for any other `vtol` references and update them. + +- [ ] **Step 2: Create the settling analyzer** + +Create `test/convergence/analyze_settling.py`: + +```python +""" +Grid-settling analysis for errTol-ladder runs: extracts the grid-size +trajectory from the profNNNNNN.h5 outputs of a case work directory and +tests whether the grid reached a plateau (the P2.4 failure signature is a +monotonically growing, never-settling grid). + +Usage: python analyze_settling.py [ ...] +""" +import sys +import os +import glob +import h5py + + +def n_trajectory(case_dir): + """Grid point count for each profile output, in time order.""" + files = sorted(glob.glob(os.path.join(case_dir, 'prof*.h5'))) + traj = [] + for f in files: + with h5py.File(f, 'r') as h: + traj.append(int(h['x'].shape[0])) + return traj + + +def grid_settled(traj, tail_frac=0.25, tol_pts=3): + """True if N varies by <= tol_pts over the last tail_frac of outputs.""" + if len(traj) < 8: + return False + tail = traj[int(len(traj) * (1 - tail_frac)):] + return max(tail) - min(tail) <= tol_pts + + +def main(): + for case_dir in sys.argv[1:]: + traj = n_trajectory(case_dir) + status = 'SETTLED' if grid_settled(traj) else 'NOT SETTLED' + print('%-60s N: %s -> %s (%d outputs) %s' % + (case_dir, traj[0] if traj else '-', + traj[-1] if traj else '-', len(traj), status)) + + +if __name__ == '__main__': + main() +``` + +Verify against an existing Phase-2 run directory before trusting it (a passing old run should report SETTLED; a P2.4 failing run, if its outputs are still in `build/test/convergence-work/`, should report NOT SETTLED). If profile files are absent for old runs, verify on the smoke run from Step 3 instead. + +- [ ] **Step 3: Smoke run** + +```bash +pixi run -- python test/convergence/run_convergence.py --case strained --scheme secondOrderLimited --rung 2 +pixi run -- python test/convergence/run_convergence.py --case strained --scheme firstOrderUpwind --rung 2 +pixi run -- python test/convergence/analyze_settling.py build/test/convergence-work/strained_secondOrderLimited_rung2 +``` + +Expected: both runs complete; result JSONs contain `errTol: 0.0032`; sol run reports SETTLED; sol N noticeably smaller than fou N at the same rung. + +- [ ] **Step 4: Commit** + +```bash +git add test/convergence/run_convergence.py test/convergence/analyze_settling.py +git commit -m "convection: [G4] errTol rung ladder + grid-settling analyzer" +``` + +--- + +### Task G5: Calibration of C_2 and the default errTol + +**Files:** +- Modify: `src/grid.cpp` (the `errCoeff` value in `setOptions`, if calibration demands), `python/ember/input.py` (Grid.errTol default) +- Create: `test/convergence/results/calibration-notes.md` (working notes; summary goes in the spec addendum in G6) + +**Interfaces:** +- Consumes: G4 harness; `plot_convergence.py` error-vs-reference computation (self-converged reference = finest completed rung per case/scheme, as in Task 2.2). +- Produces: final `errCoeff` constants and `Grid.errTol` default used by G6/G7. + +- [ ] **Step 1: Run the calibration rungs (1–4, all cases, both schemes)** + +```bash +for c in strained twin cylindrical; do + for s in firstOrderUpwind secondOrderLimited; do + pixi run -- python test/convergence/run_convergence.py --case $c --scheme $s --rungs 1 2 3 4 + done +done +``` + +Expected: all runs complete (rungs 1–4 are inside the previously-stable envelope). Use `--retries` default; note any retry in the notes file. + +- [ ] **Step 2: Compute QoI errors and the parity ratio** + +Using `plot_convergence.py` (adapt its loader if it still expects vtol keys — full plot updates happen in G6): for each case and rung, compute relative errors of `consumption_speed` and `peak_T` against the finest completed rung of the *same scheme*, then form `ratio(rung) = err_fou / err_sol` at matched errTol. + +- [ ] **Step 3: Adjust C_2 if parity is off** + +Decision rule: let `R` = geometric mean of `ratio` over cases and rungs (QoI = consumption_speed; sanity-check with peak_T). If `R` is within `[0.5, 2]`, keep `C_2 = 1/15`. Otherwise scale: sol error responds to `C_2` as `err_sol ∝ C_2^(2/3)`, so to multiply sol error by `R` (bringing the ratio to ~1), set + +``` +C_2_new = C_2 * R^(3/2) +``` + +Edit the `errCoeff` value in `src/grid.cpp` `setOptions` accordingly (update the comment with the calibrated value and this rationale), rebuild (`pixi run -- scons bin/unittest`, confirm `GridAdaptation.*` still pass — the unit tests do not depend on the exact constant beyond `HigherOrderNeedsFewerPoints`), and re-run rungs 2–3 for one case per scheme to confirm the ratio moved as predicted. + +- [ ] **Step 4: Choose the default errTol** + +From the sol error-vs-errTol curves, pick the errTol (round to one significant figure) where consumption-speed error ≈ 1e-4 and N ≈ 100 on the study cases (the owner's envelope). Set it as the `Grid.errTol` default in `python/ember/input.py` and update the docstring's "high accuracy"/"minimal accuracy" example values to bracket it (~5× tighter / ~5× looser). Record the measured (errTol, N, error) triplets in `test/convergence/results/calibration-notes.md`. + +- [ ] **Step 5: Run the python config tests and commit** + +```bash +pixi run -- python -m pytest test/python/test_config.py -v +git add src/grid.cpp python/ember/input.py test/convergence/results/calibration-notes.md +git commit -m "convection: [G5] calibrate errCoeff and default errTol against study cases" +``` + +--- + +### Task G6: Acceptance ladder, parity report, and the §P2.4 verdict + +**Files:** +- Modify: `test/convergence/plot_convergence.py` (vtol → errTol metadata keys, axis labels) +- Modify: `docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md` (results addendum §A) +- Modify: `.superpowers/sdd/progress.md` (ledger entry) + +**Interfaces:** +- Consumes: G4 harness + analyzer, G5 constants. +- Produces: the acceptance verdict and the errTol→QoI-error table (docs artifact). + +- [ ] **Step 1: Full ladder** + +```bash +for c in strained twin cylindrical; do + for s in firstOrderUpwind secondOrderLimited; do + pixi run -- python test/convergence/run_convergence.py --case $c --scheme $s + done +done +pixi run -- python test/convergence/analyze_settling.py build/test/convergence-work/*rung* +``` + +Expected: all 36 runs complete; every run reports SETTLED. + +- [ ] **Step 2: Evaluate the hard criterion** + +Identify the errTol rungs at which sol accuracy meets or exceeds the old vtol rung-5 accuracy (compare QoI errors against the Task 2.2 results in `test/convergence/results/`). The hard criterion: at those rungs (expected: rungs 4–5), strained and cylindrical sol runs **complete with a settling grid**. Record per-run: completed? settled? final N; convection CVODE steps per global step vs the P2.3 table (should be bounded, not diverging). + +**If any of these runs fails or fails to settle: STOP.** Write up the failure signature (grid trajectory, step counts, whether the grid settled — distinguishing spec §5's two contingencies: growth cap for grid creep vs σ-freeze for pure stiffness with a settled grid) in the spec addendum, commit what exists, and report to the owner for the contingency decision. Do not implement a contingency unprompted. + +- [ ] **Step 3: Parity and documentation tables** + +Update `plot_convergence.py` for the errTol metadata and produce: (a) error-vs-N per case/scheme/QoI; (b) error-vs-errTol per scheme (the parity view); (c) the errTol → measured QoI-error table (per case and scheme) destined for user docs; (d) sol/fou N-ratio at matched errTol. Parity acceptance: fou and sol QoI errors within ~2× at matched errTol across rungs 1–4 (drift per spec §2 is expected at the extremes). + +- [ ] **Step 4: Write the results addendum and update the ledger** + +Append `### A. Validation results (G6)` to the spec with: the hard-criterion verdict per configuration, parity table, errTol→error table, N-ratios, calibration summary from G5, and any anomalies. Update `.superpowers/sdd/progress.md` marking G1–G6 with commit ranges and the verdict. + +- [ ] **Step 5: Commit** + +```bash +git add test/convergence/plot_convergence.py test/convergence/results docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md .superpowers/sdd/progress.md +git commit -m "convection: [G6] errTol acceptance ladder — P2.4 verdict, parity + tol->error tables" +``` + +--- + +### Task G7: Baseline regression at new defaults and close-out + +**Files:** +- Modify: `test/convergence/README.md` (document the errTol ladder and settling analyzer) +- Modify: `.superpowers/sdd/progress.md` (final entry) +- Possibly modify: `python/ember/input.py` / `example_laminarFlameSpeed.py` (only if regression exposes a bad default; record why) + +**Interfaces:** +- Consumes: everything prior; Phase-0/1 baseline machinery (`test/convergence/run_baselines.py`, `compare_baselines.py`, `baselines-phase1/`). +- Produces: regression verdict against the amended spec §4 criterion (QoI scalars within 0.5% of phase-1 baselines; N same or fewer). + +- [ ] **Step 1: Run the baseline set at new defaults** + +```bash +pixi run -- python test/convergence/run_baselines.py --outdir test/convergence/results/baselines-errtol +pixi run -- python test/convergence/compare_baselines.py test/convergence/baselines-phase1 test/convergence/results/baselines-errtol +``` + +(Flags per each script's `--help`; run_baselines runs the standard example configs at library defaults, which now means `errTol` + `secondOrderLimited`.) Expected: all cases run to completion. + +- [ ] **Step 2: Evaluate the regression criterion** + +Acceptance (amended spec §4): consumption speed and peak T within 0.5% of the phase-1 baselines for every case; final N same or fewer than the phase-1 runs. `compare_baselines.py` thresholds were built for identical-config comparisons (~1e-6 floor) — read its report at the scalar level rather than pass/fail, and record the actual deltas. Known caveat from the ledger: `example_single` has ~14% termination-time scatter; judge it on scalars, not termination time, and note it. + +- [ ] **Step 3: Docs and ledger close-out** + +Update `test/convergence/README.md` (errTol ladder, analyzer, where the tol→error table lives). Add the final G7 ledger entry to `.superpowers/sdd/progress.md` including the regression deltas, and list the release-time items that remain (default-scheme flip in 1.7 note, `compare_baselines.py` species-mismatch loudness — unchanged from the Phase-2 pre-work list). + +- [ ] **Step 4: Commit** + +```bash +git add test/convergence/README.md test/convergence/results .superpowers/sdd/progress.md +git commit -m "convection: [G7] baseline regression at errTol defaults + close-out" +``` From a3cdf0b5acba44268dc1e66f3225ea672788b38b Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sun, 5 Jul 2026 15:19:29 -0400 Subject: [PATCH 27/37] convection: [G1] scheme-aware error-weight estimator on OneDimGrid --- src/grid.cpp | 37 ++++++++++++ src/grid.h | 25 ++++++++ test/test_gridAdaptation.cpp | 113 +++++++++++++++++++++++++++++++++++ 3 files changed, 175 insertions(+) create mode 100644 test/test_gridAdaptation.cpp diff --git a/src/grid.cpp b/src/grid.cpp index 0d642c3..6f93c06 100644 --- a/src/grid.cpp +++ b/src/grid.cpp @@ -2,6 +2,7 @@ #include "debugUtils.h" #include +#include using namespace mathUtils; using std::max; using std::min; @@ -40,6 +41,42 @@ void OneDimGrid::setOptions(const ConfigOptions& options) beta = (options.discFlame) ? 2 : 1; } +void OneDimGrid::computeErrorWeights(const dvector& v, dvector& W) const +{ + W.assign(jj + 1, 0.0); + if (jj < 2) { + return; + } + + // Nodal first and second derivatives from the nonuniform + // centered-difference coefficients; end nodes copy the nearest + // interior estimate. + dvector d1(jj + 1), d2(jj + 1); + for (size_t i = 1; i < jj; i++) { + d1[i] = cfp[i] * v[i+1] + cf[i] * v[i] + cfm[i] * v[i-1]; + } + d1[0] = d1[1]; + d1[jj] = d1[jj-1]; + + for (size_t i = 1; i < jj; i++) { + d2[i] = cfp[i] * d1[i+1] + cf[i] * d1[i] + cfm[i] * d1[i-1]; + } + d2[0] = d2[1]; + d2[jj] = d2[jj-1]; + + if (errorOrder == 1) { + for (size_t i = 0; i <= jj; i++) { + W[i] = std::abs(d2[i]); + } + } else { + for (size_t i = 1; i < jj; i++) { + W[i] = std::abs(cfp[i] * d2[i+1] + cf[i] * d2[i] + cfm[i] * d2[i-1]); + } + W[0] = W[1]; + W[jj] = W[jj-1]; + } +} + void OneDimGrid::updateValues() { // Derived mesh sizes diff --git a/src/grid.h b/src/grid.h index f300e54..38cf32f 100644 --- a/src/grid.h +++ b/src/grid.h @@ -63,6 +63,24 @@ class OneDimGrid //! than this value are not considered during grid adaptation. double absvtol; + //! Local-error tolerance for grid adaptation. The estimated local + //! representation error of each adapted component must be smaller than + //! errTol times the component's range. Set from ConfigOptions in + //! setOptions(). + double errTol; + + //! Spatial order p of the active convection scheme (1: firstOrderUpwind, + //! 2: secondOrderLimited). The adaptation error estimate scales as + //! h^(p+1) * |d^(p+1)v/dx^(p+1)|. Set in setOptions(). + int errorOrder; + + //! Leading coefficient C_p of the local error estimate + //! E = C_p * h^(p+1) * |d^(p+1)v|. Initial values are the classical + //! interpolation-error bounds (1/8 for p=1, 1/15 for p=2); the p=2 + //! value is calibrated so matched errTol gives matched accuracy across + //! convection schemes. Set in setOptions(). + double errCoeff; + //! Relative grid point removal tolerance. Grid points can be removed if //! all criteria are satisfied to this multiplier on the insertion //! tolerances. @@ -184,6 +202,13 @@ class OneDimGrid //! object. void setOptions(const ConfigOptions& options); + //! Estimate the nodal magnitude of the (#errorOrder + 1)-th derivative + //! of v, the weight in the local error estimate used by adapt(). + //! Repeated application of the nonuniform first-derivative stencils; + //! end nodes copy the nearest interior estimate. updateValues() must + //! have been called first. + void computeErrorWeights(const dvector& v, dvector& W) const; + //! Recompute derived mesh parameters after the grid has changed. void updateValues(void); diff --git a/test/test_gridAdaptation.cpp b/test/test_gridAdaptation.cpp new file mode 100644 index 0000000..045a62e --- /dev/null +++ b/test/test_gridAdaptation.cpp @@ -0,0 +1,113 @@ +#include "../src/grid.h" +#include "../src/mathUtils.h" +#include "gtest/gtest.h" + +#include +#include + +namespace { + +const double kXcenter = 1e-3; // tanh front center [m] +const double kDelta = 1e-4; // tanh front thickness [m] + +double tanhProfile(double xx) { + return std::tanh((xx - kXcenter) / kDelta); +} + +//! Planar grid with FixedValue BCs and adaptation parameters chosen so that +//! only the criteria under test can fire (damping/gridMax neutralized). +OneDimGrid makeAdaptGrid(const dvec& x) +{ + OneDimGrid grid; + grid.alpha = 0; + grid.beta = 1; + grid.leftBC = BoundaryCondition::FixedValue; + grid.rightBC = BoundaryCondition::FixedValue; + grid.setSize(x.size()); + grid.x = x; + grid.absvtol = 1e-10; + grid.rmTol = 0.6; + grid.uniformityTol = 2.5; + grid.gridMin = 1e-8; + grid.gridMax = 1e-1; + grid.dampConst = 7; + grid.centerGridMin = 1e-8; + grid.fixedLeftLoc = false; + grid.errTol = 2e-3; + grid.errorOrder = 2; + grid.errCoeff = 1.0 / 15.0; + grid.updateValues(); + grid.dampVal = dvec::Constant(grid.nPoints, 1e6); // damping never binds + return grid; +} + +dvec uniformGrid(size_t n, double x0, double x1) +{ + dvec x(n); + for (size_t j = 0; j < n; j++) { + x[j] = x0 + (x1 - x0) * j / (n - 1); + } + return x; +} + +dvector sampleProfile(const OneDimGrid& grid) +{ + dvector v(grid.nPoints); + for (size_t j = 0; j < grid.nPoints; j++) { + v[j] = tanhProfile(grid.x[j]); + } + return v; +} + +double maxWeight(OneDimGrid& grid, const dvector& v) +{ + dvector W; + grid.computeErrorWeights(v, W); + return *std::max_element(W.begin(), W.end()); +} + +} // namespace + +// max|v''| = (4/(3*sqrt(3)))/delta^2 for tanh; max|v'''| = 2/delta^3. +TEST(GridAdaptation, ErrorWeightConvergesToAnalytic) +{ + double d2exact = 4.0 / (3.0 * std::sqrt(3.0)) / (kDelta * kDelta); + double d3exact = 2.0 / (kDelta * kDelta * kDelta); + + OneDimGrid coarse = makeAdaptGrid(uniformGrid(65, 0, 2e-3)); + OneDimGrid fine = makeAdaptGrid(uniformGrid(257, 0, 2e-3)); + dvector vCoarse = sampleProfile(coarse); + dvector vFine = sampleProfile(fine); + + // p = 2: third-derivative magnitude + double e3c = std::abs(maxWeight(coarse, vCoarse) - d3exact) / d3exact; + double e3f = std::abs(maxWeight(fine, vFine) - d3exact) / d3exact; + EXPECT_LT(e3f, 0.05); + EXPECT_LT(e3f, e3c); + + // p = 1: second-derivative magnitude + coarse.errorOrder = 1; + fine.errorOrder = 1; + double e2c = std::abs(maxWeight(coarse, vCoarse) - d2exact) / d2exact; + double e2f = std::abs(maxWeight(fine, vFine) - d2exact) / d2exact; + EXPECT_LT(e2f, 0.05); + EXPECT_LT(e2f, e2c); +} + +TEST(GridAdaptation, ErrorWeightToleratesNonuniformGrid) +{ + // Geometrically stretched grid (ratio 1.02) that still resolves the + // front: spacing at x = kXcenter is ~2.2e-5 = delta/4.5 + dvec x(220); + double xx = 0, h = 2e-6; + for (int j = 0; j < 220; j++) { + x[j] = xx; + xx += h; + h *= 1.02; + } + OneDimGrid grid = makeAdaptGrid(x); + dvector v = sampleProfile(grid); + + double d3exact = 2.0 / (kDelta * kDelta * kDelta); + EXPECT_NEAR(maxWeight(grid, v), d3exact, 0.4 * d3exact); +} From 47ec3e06ff74cb3065ad4ed57beb1b226f2cc45a Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sun, 5 Jul 2026 15:35:01 -0400 Subject: [PATCH 28/37] convection: [G2] error-budget adaptation criterion replaces vtol/dvtol; dampVal kept consistent in adapt() Replace the relative-change vtol/dvtol insertion/removal criteria in OneDimGrid::adapt() with the local-error-budget criterion from G1 (computeErrorWeights/errTol/errorOrder/errCoeff): insert where the estimated local representation error exceeds errTol*range(v); remove only where the merged-interval error estimate stays below rmTol*errTol*range(v), giving removal built-in hysteresis since error scales as h^(p+1). Also fixes a real bug: updateValues() resizes the dampVal Eigen array without guaranteeing content preservation once points have been inserted/removed mid-pass, so the damping criterion could read stale values. adapt() now maintains a std::vector working copy (dampLocal) kept in sync via addPoint/removePoint-mirroring insert/erase calls, and writes it back to dampVal at the end of the pass. Removes ConfigOptions::vtol/dvtol and OneDimGrid's vtol_in/dvtol_in/ vtol/dvtol members; adds ConfigOptions::errTol and Grid.errTol (FloatOption(2e-3, min=0)) in input.py, forwarded via _ember.pxd/.pyx. vtol/dvtol remain as (now-unforwarded) input.py Options pending G3's deprecation handling. test/python/test_flame_configs.py: replaced Grid(vtol=0.2, dvtol=0.3) (3 occurrences) with Grid(errTol=3.3e-3), using the same vtol:errTol ratio as the provisional default mapping, since vtol/dvtol are no longer forwarded to the C++ grid and the old call would have silently fallen back to the default errTol. Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_01PpMZDeJn1DXH5NshhtCDqq --- python/ember/_ember.pxd | 2 +- python/ember/_ember.pyx | 3 +- python/ember/input.py | 10 +++ src/grid.cpp | 114 +++++++++++-------------- src/grid.h | 52 ++++-------- src/readConfig.h | 3 +- test/python/test_flame_configs.py | 6 +- test/test_gridAdaptation.cpp | 134 ++++++++++++++++++++++++++++++ 8 files changed, 217 insertions(+), 107 deletions(-) diff --git a/python/ember/_ember.pxd b/python/ember/_ember.pxd index 8133374..a18ceb7 100644 --- a/python/ember/_ember.pxd +++ b/python/ember/_ember.pxd @@ -88,7 +88,7 @@ cdef extern from "readConfig.h": double ignition_center, ignition_stddev cbool alwaysUpdateHeatFlux - double vtol, dvtol, rmTol, dampConst, gridMin, gridMax + double errTol, rmTol, dampConst, gridMin, gridMax double uniformityTol, absvtol double boundaryTol, boundaryTolRm, unstrainedDownstreamWidth int addPointCount diff --git a/python/ember/_ember.pyx b/python/ember/_ember.pyx index 25f9f7f..9e19220 100644 --- a/python/ember/_ember.pyx +++ b/python/ember/_ember.pyx @@ -292,8 +292,7 @@ cdef class ConfigOptions: # Grid opts.centerGridMin = self.grid.centerGridMin - opts.vtol = self.grid.vtol - opts.dvtol = self.grid.dvtol + opts.errTol = self.grid.errTol opts.rmTol = self.grid.rmTol opts.dampConst = self.grid.dampConst opts.gridMax = self.grid.gridMax diff --git a/python/ember/input.py b/python/ember/input.py index 8625b0c..02f656c 100644 --- a/python/ember/input.py +++ b/python/ember/input.py @@ -394,6 +394,16 @@ class Chemistry(Options): class Grid(Options): """ Parameters controlling the adaptive grid """ + #: Target relative accuracy of the solution on the adapted grid. The + #: estimated local truncation error of each state-vector component is + #: kept below ``errTol`` times that component's range, using an error + #: estimate that accounts for the order of the selected + #: ``general.convectionScheme``. The same value yields similar solution + #: accuracy under either scheme; the higher-order scheme needs fewer + #: grid points. For high accuracy, ``errTol = 5e-4``; for minimal + #: accuracy, ``errTol = 0.01``. + errTol = FloatOption(2e-3, min=0) + #: Maximum relative scalar variation of each state vector #: component between consecutive grid points. For high accuracy, #: ``vtol = 0.08``; For minimal accuracy, ``vtol = 0.20``. diff --git a/src/grid.cpp b/src/grid.cpp index 6f93c06..2256ef2 100644 --- a/src/grid.cpp +++ b/src/grid.cpp @@ -16,8 +16,14 @@ OneDimGrid::OneDimGrid() void OneDimGrid::setOptions(const ConfigOptions& options) { - vtol_in = options.vtol; - dvtol_in = options.dvtol; + errTol = options.errTol; + if (options.convectionScheme == "firstOrderUpwind") { + errorOrder = 1; + errCoeff = 0.125; // 1/8: piecewise-linear representation error + } else { + errorOrder = 2; + errCoeff = 1.0/15.0; // ~quadratic representation error; calibrated in [G5] + } absvtol = options.absvtol; rmTol = options.rmTol; uniformityTol = options.uniformityTol; @@ -118,12 +124,11 @@ void OneDimGrid::adapt(vector& y) assert((dampVal > 0).all()); setSize(y[0].size()); - vtol.resize(nAdapt); - dvtol.resize(nAdapt); - for (size_t k=0; k insertionIndicies; @@ -132,60 +137,48 @@ void OneDimGrid::adapt(vector& y) // *** Grid point insertion algorithm size_t j = 0; - dvector dv(jj+1); // dv/dx + dvector W; while (j < jj) { updateValues(); - dv.resize(jj+1); bool insert = false; - // Consider tolerances for each variable v in the solution y + // Consider the local error estimate for each variable v in y for (size_t k=0; k vtol[k]*vRange) { - insert = true; - if (debugParameters::debugAdapt) { - logFile.write(format("Adapt: v resolution wants grid point" - " j = %i, k = %i; |v(j+1)-v(j)|/vrange = %g > %g") % - j % k % (abs(v[j+1]-v[j])/vRange) % vtol[k]); - } + // Local representation error estimate for interval j, using the + // largest derivative weight within one interval of j + size_t i0 = (j == 0) ? 0 : j - 1; + size_t i1 = std::min(j + 2, jj); + double w = 0; + for (size_t i=i0; i<=i1; i++) { + w = std::max(w, W[i]); } - - // resolution of dv - if (j!=0 && j!=jj-1 && abs(dv[j+1]-dv[j]) > dvtol[k]*dvRange) { + double E = errCoeff * pow(hh[j], errorOrder+1) * w; + if (E > errTol*vRange) { insert = true; if (debugParameters::debugAdapt) { - logFile.write(format( - "Adapt: dv resolution (global) wants grid point" - " j = %i, k = %i; |dv(j+1)-dv(j)|/vrange = %g > % g") % - j % k % (abs(dv[j+1]-dv[j])/dvRange) % dvtol[k]); + logFile.write(format("Adapt: local error wants grid point" + " j = %i, k = %i; E/range = %g > %g") % + j % k % (E/vRange) % errTol); } } } // Damping of high-frequency numerical error - if (hh[j] > dampConst*dampVal[j]) { + if (hh[j] > dampConst*dampLocal[j]) { insert = true; if (debugParameters::debugAdapt) { logFile.write(format( "Adapt: damping criterion wants a grid point" " j = %i; hh[j] = %g > %g") % - j % hh[j] % (dampConst*dampVal[j])); + j % hh[j] % (dampConst*dampLocal[j])); } } @@ -250,6 +243,8 @@ void OneDimGrid::adapt(vector& y) // Insert a new point insertionIndicies.push_back(static_cast(j)); addPoint(static_cast(j), y); + dampLocal.insert(dampLocal.begin() + j + 1, + 0.5*(dampLocal[j] + dampLocal[j+1])); updated = true; setSize(nPoints+1); j+=2; @@ -276,53 +271,41 @@ void OneDimGrid::adapt(vector& y) // Assume removal, then look for a condition which prevents removal bool remove = true; - // Consider tolerances each variable v in the solution y for (size_t k=0; k rmTol*vtol[k]*vRange) { - if (debugParameters::debugAdapt) { - logFile.write(format( - "Adapt: no removal - v res. j = %i, k = %i;" - " |v[j+1]-v[j-1]|/vtrange = %g > %g") % - j % k % (abs(v[j+1]-v[j-1])/vRange) % (vtol[k]*rmTol)); - } - remove = false; + // Error estimate for the interval that would result from + // removing point j (spanning x[j-1] to x[j+1]) + size_t i0 = (j < 2) ? 0 : j - 2; + size_t i1 = std::min(j + 2, jj); + double w = 0; + for (size_t i=i0; i<=i1; i++) { + w = std::max(w, W[i]); } - - // resolution of dv - if (j!=2 && j!=jj-1 && abs(dv[j+1]-dv[j-1]) > rmTol*dvtol[k]*dvRange) { + double E = errCoeff * pow(hh[j]+hh[j-1], errorOrder+1) * w; + if (E > rmTol*errTol*vRange) { if (debugParameters::debugAdapt) { logFile.write(format( - "Adapt: no removal - dv res. j = %i, k = %i;" - " |dv(j+1)-dv(j-1)|/dvrange = %g > %g") % - j % k % (abs(dv[j+1]-dv[j-1])/dvRange) % (dvtol[k]*rmTol)); + "Adapt: no removal - error budget. j = %i, k = %i;" + " E/range = %g > %g") % + j % k % (E/vRange) % (rmTol*errTol)); } remove = false; } } // Damping of high-frequency numerical error - if (hh[j]+hh[j-1] >= rmTol*dampConst*dampVal[j]) { + if (hh[j]+hh[j-1] >= rmTol*dampConst*dampLocal[j]) { if (debugParameters::debugAdapt) { logFile.write(format( "Adapt: no removal - damping criterion. j = %i;" " hh(j)+hh(j-1) = %g > %g") % - j % (hh[j]+hh[j-1]) % (dampConst*dampVal[j])); + j % (hh[j]+hh[j-1]) % (dampConst*dampLocal[j])); } remove = false; } @@ -373,6 +356,7 @@ void OneDimGrid::adapt(vector& y) if (remove) { removalIndices.push_back(static_cast(j)); removePoint(static_cast(j), y); + dampLocal.erase(dampLocal.begin() + j); setSize(nPoints-1); updated = true; } else { @@ -388,6 +372,8 @@ void OneDimGrid::adapt(vector& y) logFile.write(removalIndices[removalIndices.size()-1]); } + dampVal = Eigen::Map(dampLocal.data(), dampLocal.size()); + if (updated) { updateValues(); updateBoundaryIndices(); diff --git a/src/grid.h b/src/grid.h index 38cf32f..afb0c7a 100644 --- a/src/grid.h +++ b/src/grid.h @@ -43,22 +43,6 @@ class OneDimGrid // **** Parameters for controlling internal grid points **** - //! Default relative solution variable tolerance for point insertion. - //! Set from ConfigOptions in setOptions(). - double vtol_in; - - //! Default derivative tolerance for point insertion. - //! Set from ConfigOptions in setOptions(). - double dvtol_in; - - //! Relative solution variable tolerance for point insertion for each - //! solution component. Length #nVars. - dvec vtol; - - //! solution variable derivative tolerance for point insertion for each - //! solution component. Length #nVars. - dvec dvtol; - //! Absolute tolerance for point insertion. Components with ranges smaller //! than this value are not considered during grid adaptation. double absvtol; @@ -167,26 +151,24 @@ class OneDimGrid //! //! *Adaptation algorithm* //! - //! The insertion of the grid points is performed first. For each - //! component of the solution vector: - //! - //! 1. Find its range and the range of its derivative. - //! 2. Apply four criteria and and find where insertions are - //! needed. the criteria for a component f(j) are: - //! - `|f[j+1]-f[j]| < vtol*range(f)` - //! - `|dfdy[j+1]-dfdy[j]| < dvtol*range(dfdy)` - //! - `1/uniformityTol < hh[j]/hh[j-1] < uniformityTol` - //! 3. If any of these criteria is not satisfied, a grid point j - //! is inserted. - //! - //! Next, the unnecessary grid points are removed, and the algorithm is - //! applied in reverse. If the criteria: - //! - `|f[j]-f[j-1]| > rmTol*vtol*range(f)` - //! - `|dfdy[j]-dfdy[j-1]| > rmTol*dvtol*range(dfdy)` - //! - `hh[j]+hh[j-1] < uniformityTol*hh[j-2]` - //! - `hh[j]+hh[j-1] < uniformityTol*hh[j+1]` + //! Insertion is performed first. For each adapted component f with + //! range(f) >= #absvtol, the local representation error of interval j + //! is estimated as + //! E = C_p * hh[j]^(p+1) * max|d^(p+1) f| + //! where p (#errorOrder) is the spatial order of the convection scheme, + //! C_p is #errCoeff, and the derivative magnitude is taken as the + //! maximum of the estimates (computeErrorWeights()) at the nodes within + //! one interval of j. A point is inserted in interval j if + //! E > errTol * range(f) + //! or if the damping, maximum-spacing, or uniformity criteria require + //! one. //! - //! are satisfied for all components at a point, it is removed. + //! Removal is considered next: point j is removed only if, for every + //! component, the estimate E evaluated for the merged interval + //! (hh[j]+hh[j-1], derivative maximum over nodes within two of j) stays + //! below rmTol * errTol * range(f), and the damping, maximum-spacing, + //! and uniformity criteria all permit it. Since merging roughly doubles + //! h and E scales as h^(p+1), removal has strong built-in hysteresis. void adapt(vector& y); //! Add and remove points at the boundaries of the domain to satisfy diff --git a/src/readConfig.h b/src/readConfig.h index c6c134c..6fe126c 100644 --- a/src/readConfig.h +++ b/src/readConfig.h @@ -142,8 +142,7 @@ class ConfigOptions bool alwaysUpdateHeatFlux; //!< [externalHeatFlux.alwaysUpdate] // Tolerances for adaptation and regridding - double vtol; //!< [grid.vtol] - double dvtol; //!< [grid.dvtol] + double errTol; //!< [grid.errTol] double rmTol; //!< [grid.rmTol] double dampConst; //!< [grid.dampConst] double gridMin; //!< [grid.gridMin] diff --git a/test/python/test_flame_configs.py b/test/python/test_flame_configs.py index ed25f54..73a0470 100644 --- a/test/python/test_flame_configs.py +++ b/test/python/test_flame_configs.py @@ -16,7 +16,7 @@ def setUp(self): oxidizer='O2:1.0, AR:4.0', equivalenceRatio=0.3), StrainParameters(initial=800, final=800), - Grid(vtol=0.2, dvtol=0.3), + Grid(errTol=3.3e-3), Times(regridStepInterval=10), TerminationCondition(tEnd=0.01, measurement=None)) @@ -54,7 +54,7 @@ def setUp(self): equivalenceRatio=0.3), General(nThreads=1, twinFlame=True, unburnedLeft=False), StrainParameters(initial=800, final=800), - Grid(vtol=0.2, dvtol=0.3), + Grid(errTol=3.3e-3), Times(regridStepInterval=10), TerminationCondition(tEnd=0.01, measurement=None)) @@ -96,7 +96,7 @@ def setUp(self): fuel='H2:1.0, AR:1.0', oxidizer='O2:1.0, AR:4.0'), StrainParameters(initial=400, final=400), - Grid(vtol=0.2, dvtol=0.3), + Grid(errTol=3.3e-3), Times(regridStepInterval=10), TerminationCondition(tEnd=0.01, measurement=None)) diff --git a/test/test_gridAdaptation.cpp b/test/test_gridAdaptation.cpp index 045a62e..a0456b9 100644 --- a/test/test_gridAdaptation.cpp +++ b/test/test_gridAdaptation.cpp @@ -66,6 +66,45 @@ double maxWeight(OneDimGrid& grid, const dvector& v) return *std::max_element(W.begin(), W.end()); } +//! Refill y from the analytic profile (mimics the solver re-solving on the +//! new grid), reset dampVal, and run one adapt() pass. +void adaptOnce(OneDimGrid& grid, std::vector& y) +{ + y[0].resize(grid.nPoints); + for (size_t j = 0; j < grid.nPoints; j++) { + y[0][j] = tanhProfile(grid.x[j]); + } + grid.dampVal = dvec::Constant(grid.nPoints, 1e6); + grid.updated = false; + grid.adapt(y); +} + +//! adapt() to a fixed point; returns iterations used (maxIter = no fixed point). +int adaptToConvergence(OneDimGrid& grid, std::vector& y, int maxIter = 25) +{ + for (int i = 0; i < maxIter; i++) { + adaptOnce(grid, y); + if (!grid.updated) { + return i; + } + } + return maxIter; +} + +//! Max-filtered interval error estimate, mirroring the criterion in adapt(). +double intervalError(OneDimGrid& grid, const dvector& v, size_t j) +{ + dvector W; + grid.computeErrorWeights(v, W); + size_t i0 = (j == 0) ? 0 : j - 1; + size_t i1 = std::min(j + 2, grid.jj); + double w = 0; + for (size_t i = i0; i <= i1; i++) { + w = std::max(w, W[i]); + } + return grid.errCoeff * std::pow(grid.hh[j], grid.errorOrder + 1) * w; +} + } // namespace // max|v''| = (4/(3*sqrt(3)))/delta^2 for tanh; max|v'''| = 2/delta^3. @@ -111,3 +150,98 @@ TEST(GridAdaptation, ErrorWeightToleratesNonuniformGrid) double d3exact = 2.0 / (kDelta * kDelta * kDelta); EXPECT_NEAR(maxWeight(grid, v), d3exact, 0.4 * d3exact); } + +TEST(GridAdaptation, MeetsErrorBudgetOnTanh) +{ + OneDimGrid grid = makeAdaptGrid(uniformGrid(17, 0, 2e-3)); + std::vector y(1); + grid.nAdapt = 1; + + int iters = adaptToConvergence(grid, y); + ASSERT_LT(iters, 25) << "grid did not reach a fixed point"; + + grid.updateValues(); + double vRange = mathUtils::range(y[0]); + for (size_t j = 0; j < grid.jj; j++) { + EXPECT_LE(intervalError(grid, y[0], j), grid.errTol * vRange * 1.000001) + << "budget violated at interval " << j; + } + EXPECT_GT(grid.nPoints, 20u); + EXPECT_LT(grid.nPoints, 500u); +} + +TEST(GridAdaptation, SecondPassIsIdempotent) +{ + OneDimGrid grid = makeAdaptGrid(uniformGrid(17, 0, 2e-3)); + std::vector y(1); + grid.nAdapt = 1; + ASSERT_LT(adaptToConvergence(grid, y), 25); + + adaptOnce(grid, y); + EXPECT_FALSE(grid.updated) << "converged grid changed on an extra pass"; +} + +TEST(GridAdaptation, HigherOrderNeedsFewerPoints) +{ + OneDimGrid g2 = makeAdaptGrid(uniformGrid(17, 0, 2e-3)); // p=2 + OneDimGrid g1 = makeAdaptGrid(uniformGrid(17, 0, 2e-3)); + g1.errorOrder = 1; + g1.errCoeff = 0.125; + + std::vector y1(1), y2(1); + g1.nAdapt = 1; + g2.nAdapt = 1; + ASSERT_LT(adaptToConvergence(g1, y1), 25); + ASSERT_LT(adaptToConvergence(g2, y2), 25); + EXPECT_GT(g1.nPoints, g2.nPoints); +} + +TEST(GridAdaptation, CoarsensOverresolvedGrid) +{ + OneDimGrid grid = makeAdaptGrid(uniformGrid(513, 0, 2e-3)); + std::vector y(1); + grid.nAdapt = 1; + + ASSERT_LT(adaptToConvergence(grid, y), 25); + EXPECT_LT(grid.nPoints, 300u) << "over-resolved grid was not coarsened"; + + grid.updateValues(); + double vRange = mathUtils::range(y[0]); + for (size_t j = 0; j < grid.jj; j++) { + EXPECT_LE(intervalError(grid, y[0], j), grid.errTol * vRange * 1.000001); + } +} + +TEST(GridAdaptation, DampValRespectedWhileGridChanges) +{ + OneDimGrid grid = makeAdaptGrid(uniformGrid(17, 0, 2e-3)); + std::vector y(1); + grid.nAdapt = 1; + + // Damping limit hh <= dampConst*dampVal = 2e-5 in the left half only. + // Uses a custom loop because dampVal must be re-set every pass. + for (int i = 0; i < 25; i++) { + y[0].resize(grid.nPoints); + for (size_t j = 0; j < grid.nPoints; j++) { + y[0][j] = tanhProfile(grid.x[j]); + } + grid.dampVal.resize(grid.nPoints); + for (size_t j = 0; j < grid.nPoints; j++) { + grid.dampVal[j] = (grid.x[j] < 1e-3) ? 2e-5 / grid.dampConst : 1e6; + } + grid.updated = false; + grid.adapt(y); + if (!grid.updated) { + break; + } + } + ASSERT_FALSE(grid.updated); + + grid.updateValues(); + for (size_t j = 0; j < grid.jj; j++) { + if (grid.x[j + 1] < 1e-3) { + EXPECT_LE(grid.hh[j], 2e-5 * 1.01) + << "damping limit violated at j = " << j; + } + } +} From bbe219ededb27be5b0fb2ce9f970b1a54ec96ca8 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sun, 5 Jul 2026 15:41:29 -0400 Subject: [PATCH 29/37] convection: [G3] deprecate vtol/dvtol with warnings; errTol docs and example update --- .../examples/example_laminarFlameSpeed.py | 2 +- python/ember/input.py | 27 +++++++++++++------ test/python/test_config.py | 20 ++++++++++++++ 3 files changed, 40 insertions(+), 9 deletions(-) diff --git a/python/ember/examples/example_laminarFlameSpeed.py b/python/ember/examples/example_laminarFlameSpeed.py index d7dd7e3..8536ff6 100644 --- a/python/ember/examples/example_laminarFlameSpeed.py +++ b/python/ember/examples/example_laminarFlameSpeed.py @@ -23,7 +23,7 @@ General(fixedLeftLocation=True, fixedBurnedVal=False, nThreads=4), - Grid(vtol=0.1, dvtol=0.15, gridMin=5e-6, gridMax=0.001), + Grid(errTol=1.5e-3, gridMin=5e-6, gridMax=0.001), PositionControl(proportionalGain=2000, xInitial=0.005, xFinal=0.005), TerminationCondition(tolerance=1e-5), Times(profileStepInterval=50)) diff --git a/python/ember/input.py b/python/ember/input.py index 02f656c..409d2ae 100644 --- a/python/ember/input.py +++ b/python/ember/input.py @@ -404,15 +404,13 @@ class Grid(Options): #: accuracy, ``errTol = 0.01``. errTol = FloatOption(2e-3, min=0) - #: Maximum relative scalar variation of each state vector - #: component between consecutive grid points. For high accuracy, - #: ``vtol = 0.08``; For minimal accuracy, ``vtol = 0.20``. - vtol = FloatOption(0.12) + #: Deprecated and ignored. Grid resolution is controlled by + #: :attr:`errTol`. + vtol = FloatOption(None, level=3) - #: Maximum relative variation of the gradient of each state vector - #: component between consecutive grid points. For high accuracy, - #: ``dvtol = 0.12``; For minimal accuracy, ``dvtol = 0.4``. - dvtol = FloatOption(0.2) + #: Deprecated and ignored. Grid resolution is controlled by + #: :attr:`errTol`. + dvtol = FloatOption(None, level=3) #: Relative tolerance (compared to vtol and dvtol) for grid point removal. rmTol = FloatOption(0.6, level=1) @@ -944,7 +942,20 @@ def stringify(self): return 'conf = Config(\n' + ',\n'.join(ans) + ')\n' + def _warnDeprecated(self): + if self.grid.vtol.isSet or self.grid.dvtol.isSet: + print("WARNING: 'grid.vtol' and 'grid.dvtol' are deprecated and have" + " no effect.\n" + " Grid resolution is now controlled by the local-error" + " tolerance 'grid.errTol';\n" + " the same errTol gives similar accuracy for either" + " convection scheme.") + if self.grid.errTol.value is not None and self.grid.errTol.value > 0.5: + print("WARNING: 'grid.errTol' > 0.5 effectively disables grid" + " refinement.") + def validate(self): + self._warnDeprecated() error = False cylindricalFlame = True if self.general.flameGeometry == 'cylindrical' else False discFlame = True if self.general.flameGeometry == 'disc' else False diff --git a/test/python/test_config.py b/test/python/test_config.py index 93b6658..afbc31d 100644 --- a/test/python/test_config.py +++ b/test/python/test_config.py @@ -54,3 +54,23 @@ def test_validate_bad_species(self): def test_validate_bad_restart(self): c = Config(InitialCondition(restartFile='nosuchfile.h5')) self.assertFalse(c.validate()) + + +def test_deprecated_grid_tolerances_warn(capsys): + conf = Config(Grid(vtol=0.1, dvtol=0.15)) + conf._warnDeprecated() + out = capsys.readouterr().out + assert 'deprecated' in out + assert 'errTol' in out + + +def test_errtol_produces_no_warning(capsys): + conf = Config(Grid(errTol=1e-3)) + conf._warnDeprecated() + assert capsys.readouterr().out == '' + + +def test_absurd_errtol_warns(capsys): + conf = Config(Grid(errTol=0.9)) + conf._warnDeprecated() + assert 'errTol' in capsys.readouterr().out From 381b9eb50a1e0af015e6f778a3c2a13d0f4a5559 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sun, 5 Jul 2026 15:49:29 -0400 Subject: [PATCH 30/37] convection: [G4] errTol rung ladder + grid-settling analyzer --- test/convergence/analyze_settling.py | 43 +++++++++++++++++++++++++ test/convergence/run_convergence.py | 47 +++++++++++++++------------- 2 files changed, 69 insertions(+), 21 deletions(-) create mode 100644 test/convergence/analyze_settling.py diff --git a/test/convergence/analyze_settling.py b/test/convergence/analyze_settling.py new file mode 100644 index 0000000..afaa45e --- /dev/null +++ b/test/convergence/analyze_settling.py @@ -0,0 +1,43 @@ +""" +Grid-settling analysis for errTol-ladder runs: extracts the grid-size +trajectory from the profNNNNNN.h5 outputs of a case work directory and +tests whether the grid reached a plateau (the P2.4 failure signature is a +monotonically growing, never-settling grid). + +Usage: python analyze_settling.py [ ...] +""" +import sys +import os +import glob +import h5py + + +def n_trajectory(case_dir): + """Grid point count for each profile output, in time order.""" + files = sorted(glob.glob(os.path.join(case_dir, 'prof*.h5'))) + traj = [] + for f in files: + with h5py.File(f, 'r') as h: + traj.append(int(h['x'].shape[0])) + return traj + + +def grid_settled(traj, tail_frac=0.25, tol_pts=3): + """True if N varies by <= tol_pts over the last tail_frac of outputs.""" + if len(traj) < 8: + return False + tail = traj[int(len(traj) * (1 - tail_frac)):] + return max(tail) - min(tail) <= tol_pts + + +def main(): + for case_dir in sys.argv[1:]: + traj = n_trajectory(case_dir) + status = 'SETTLED' if grid_settled(traj) else 'NOT SETTLED' + print('%-60s N: %s -> %s (%d outputs) %s' % + (case_dir, traj[0] if traj else '-', + traj[-1] if traj else '-', len(traj), status)) + + +if __name__ == '__main__': + main() diff --git a/test/convergence/run_convergence.py b/test/convergence/run_convergence.py index f93f99d..1432ff1 100644 --- a/test/convergence/run_convergence.py +++ b/test/convergence/run_convergence.py @@ -40,15 +40,18 @@ planar-twin path. Config follows ``example_cylindrical_outward`` / ``case_cylindrical_outward`` in run_baselines.py. -Resolution ladder: a 6-rung sequence of ``(vtol, dvtol, gridMax)`` tuples -(see RUNGS below), index 0 = coarsest, index 5 = finest, geometrically -spaced by roughly a factor of 1.5x in vtol/dvtol per rung (~7x from coarsest -to finest). This is a *nominal* ladder sized to produce "at least 5 rungs -spanning roughly 4x in N" per spec §6.4; the actual N achieved by each rung -is configuration-dependent (thin, highly-strained flames need more points -per unit vtol than slow ones) and should be confirmed/retuned in Task 2.2 -against the observed grid sizes, without changing the rung *count* or -*intent* documented here. +Resolution ladder: a 6-rung sequence of ``(errTol, gridMax)`` pairs (see +RUNGS below), index 0 = coarsest, index 5 = finest, geometrically spaced by +roughly a factor of 2.5x in errTol per rung (~100x from coarsest to +finest). ``gridMax`` co-scales alongside ``errTol`` (as it did for the +Task 2.1 vtol ladder) so the far field stays bounded even at the finest +rungs. Rung 5 targets accuracy at or beyond the old vtol rung-5 (the P2.4 +failure regime). This is a *nominal* ladder sized to produce "at least 5 +rungs spanning roughly 4x in N" per spec §6.4; the actual N achieved by +each rung is configuration-dependent (thin, highly-strained flames need +more points per unit errTol than slow ones) and should be +confirmed/retuned against the observed grid sizes, without changing the +rung *count* or *intent* documented here. Usage: pixi run python test/convergence/run_convergence.py \\ @@ -92,13 +95,16 @@ # Resolution ladder: grid-tolerance rungs, coarsest (index 0) to finest. # See module docstring for the rationale/caveats. # --------------------------------------------------------------------------- +# errTol ladder, coarse -> fine, ~2.5x per rung. gridMax co-scales as in the +# Task 2.1 vtol ladder so the far field stays bounded. Rung 5 targets +# accuracy at or beyond the old vtol rung-5 (the P2.4 failure regime). RUNGS = [ - dict(vtol=0.24, dvtol=0.40, gridMax=4.0e-4), # 0: coarsest - dict(vtol=0.16, dvtol=0.27, gridMax=2.5e-4), # 1 - dict(vtol=0.11, dvtol=0.18, gridMax=1.6e-4), # 2 - dict(vtol=0.075, dvtol=0.12, gridMax=1.0e-4), # 3 - dict(vtol=0.050, dvtol=0.080, gridMax=6.3e-5), # 4 - dict(vtol=0.033, dvtol=0.055, gridMax=4.0e-5), # 5: finest + dict(errTol=2.0e-2, gridMax=4.0e-4), # 0: coarsest + dict(errTol=8.0e-3, gridMax=2.5e-4), # 1 + dict(errTol=3.2e-3, gridMax=1.6e-4), # 2 + dict(errTol=1.3e-3, gridMax=1.0e-4), # 3 + dict(errTol=5.0e-4, gridMax=6.3e-5), # 4 + dict(errTol=2.0e-4, gridMax=4.0e-5), # 5: finest ] CASES = ('strained', 'twin', 'cylindrical') @@ -107,7 +113,7 @@ def _grid_kwargs(rung_idx, damp_const): r = RUNGS[rung_idx] - kwargs = dict(vtol=r['vtol'], dvtol=r['dvtol'], gridMax=r['gridMax']) + kwargs = dict(errTol=r['errTol'], gridMax=r['gridMax']) if damp_const is not None: kwargs['dampConst'] = damp_const return kwargs @@ -227,8 +233,7 @@ def run_once(case, scheme, rung_idx, damp_const, work_dir): 'generated_at_utc': datetime.datetime.now(datetime.timezone.utc).isoformat(), 'config_summary': conf.stringify(), 'grid_tolerances': { - 'vtol': concrete.grid.vtol, - 'dvtol': concrete.grid.dvtol, + 'errTol': concrete.grid.errTol, 'gridMax': concrete.grid.gridMax, 'gridMin': concrete.grid.gridMin, 'dampConst': concrete.grid.dampConst, @@ -296,13 +301,13 @@ def main(): 'occasional CVODE integrator error under multi-threaded ' 'or stiff runs; retrying is usually sufficient). Default: 3') parser.add_argument('--list-rungs', action='store_true', - help='Print the rung ladder (vtol/dvtol/gridMax per index) and exit') + help='Print the rung ladder (errTol/gridMax per index) and exit') args = parser.parse_args() if args.list_rungs: - print('%-5s %-8s %-8s %-10s' % ('rung', 'vtol', 'dvtol', 'gridMax')) + print('%-5s %-10s %-10s' % ('rung', 'errTol', 'gridMax')) for i, r in enumerate(RUNGS): - print('%-5d %-8g %-8g %-10g' % (i, r['vtol'], r['dvtol'], r['gridMax'])) + print('%-5d %-10g %-10g' % (i, r['errTol'], r['gridMax'])) return if args.case is None or args.scheme is None: From 7cd34a01a5057a68b68fb58dad1c46213ceea3eb Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sun, 5 Jul 2026 19:34:12 -0400 Subject: [PATCH 31/37] convection: [G4] fix settling analyzer (exclude profNow.h5, min-4-sample tail) + dense profile output Review fixes: n_trajectory now globs prof[0-9]*.h5 so the continuously rewritten profNow.h5 no longer inflates counts or injects an off-cadence final sample; grid_settled floor lowered to 4 samples with a >=3-sample tail window and a distinct TOO FEW OUTPUTS report; strained/twin builders now set profileStepInterval=10 (matching cylindrical) so trajectories are dense enough to judge. Validated: strained rung-2 smoke runs (both schemes) complete, 23 outputs, SETTLED, sol N=87 < fou N=122; P2.4 failure dir reports NOT SETTLED; old passing rung-3 dir reports SETTLED. Co-Authored-By: Claude Fable 5 --- test/convergence/analyze_settling.py | 25 ++++++++++++++++++------- test/convergence/run_convergence.py | 4 ++-- 2 files changed, 20 insertions(+), 9 deletions(-) diff --git a/test/convergence/analyze_settling.py b/test/convergence/analyze_settling.py index afaa45e..cd79d83 100644 --- a/test/convergence/analyze_settling.py +++ b/test/convergence/analyze_settling.py @@ -1,6 +1,7 @@ """ Grid-settling analysis for errTol-ladder runs: extracts the grid-size -trajectory from the profNNNNNN.h5 outputs of a case work directory and +trajectory from the numbered profNNNNNN.h5 outputs of a case work directory +(profNow.h5, a continuously-rewritten current-state file, is excluded) and tests whether the grid reached a plateau (the P2.4 failure signature is a monotonically growing, never-settling grid). @@ -9,12 +10,13 @@ import sys import os import glob +import math import h5py def n_trajectory(case_dir): - """Grid point count for each profile output, in time order.""" - files = sorted(glob.glob(os.path.join(case_dir, 'prof*.h5'))) + """Grid point count for each numbered profile output, in time order.""" + files = sorted(glob.glob(os.path.join(case_dir, 'prof[0-9]*.h5'))) traj = [] for f in files: with h5py.File(f, 'r') as h: @@ -23,17 +25,26 @@ def n_trajectory(case_dir): def grid_settled(traj, tail_frac=0.25, tol_pts=3): - """True if N varies by <= tol_pts over the last tail_frac of outputs.""" - if len(traj) < 8: + """True if the trajectory ends in a plateau: N varies by <= tol_pts over + the tail window (the last tail_frac of outputs, at least 3 samples). + Fewer than 4 samples is not judgeable and returns False; callers should + treat that case as "inspect the run log", not as a settling failure + (main() reports it as TOO FEW OUTPUTS). + """ + if len(traj) < 4: return False - tail = traj[int(len(traj) * (1 - tail_frac)):] + ntail = max(3, int(math.ceil(len(traj) * tail_frac))) + tail = traj[-ntail:] return max(tail) - min(tail) <= tol_pts def main(): for case_dir in sys.argv[1:]: traj = n_trajectory(case_dir) - status = 'SETTLED' if grid_settled(traj) else 'NOT SETTLED' + if len(traj) < 4: + status = 'TOO FEW OUTPUTS (%d)' % len(traj) + else: + status = 'SETTLED' if grid_settled(traj) else 'NOT SETTLED' print('%-60s N: %s -> %s (%d outputs) %s' % (case_dir, traj[0] if traj else '-', traj[-1] if traj else '-', len(traj), status)) diff --git a/test/convergence/run_convergence.py b/test/convergence/run_convergence.py index 1432ff1..36baf8b 100644 --- a/test/convergence/run_convergence.py +++ b/test/convergence/run_convergence.py @@ -134,7 +134,7 @@ def build_strained(rung_idx, scheme, damp_const, work_dir): equivalenceRatio=0.3), StrainParameters(initial=800, final=800), Grid(**_grid_kwargs(rung_idx, damp_const)), - Times(regridStepInterval=10), + Times(profileStepInterval=10, regridStepInterval=10), TerminationCondition(tEnd=2.0, measurement='dTdt')) return conf @@ -154,7 +154,7 @@ def build_twin(rung_idx, scheme, damp_const, work_dir): xRight=0.01), StrainParameters(initial=100, final=100), Grid(**_grid_kwargs(rung_idx, damp_const)), - Times(regridStepInterval=10), + Times(profileStepInterval=10, regridStepInterval=10), TerminationCondition(tEnd=10)) return conf From dc5e1977ac2197fcf538fd8efd8ed19e6feba2ac Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sun, 5 Jul 2026 20:15:52 -0400 Subject: [PATCH 32/37] convection: [G5] calibrate errCoeff and default errTol against study cases Parity calibration of the secondOrderLimited error coefficient against firstOrderUpwind at matched errTol (rungs 1-4, 3 cases, both schemes): R = err_fou/err_sol = 2.85 (geometric mean, consumption speed), outside the [0.5, 2] keep-band, so C_2 = 1/15 -> 0.0139 = (1/15)*R^(-3/2). Note: the brief's rule stated err_sol ~ C_2^(2/3); the sign is inverted (larger errCoeff -> finer grid -> smaller error), so the R^(-3/2) scaling implements the brief's stated intent (multiply err_sol by R). Confirmed empirically on strained rungs 2-4 (grids coarsen, mean error move x2.5 vs predicted x2.85; fou control bit-identical). Default Grid.errTol = 1e-4 (was 2e-3), chosen from measured (errTol, N, err_cs) triplets with default gridMax: N = 115-165, err_cs = 3.1-6.5e-4 on the study cases. The owner envelope (err ~ 1e-4 at N ~ 100) is not jointly attainable; 1e-4 is the balanced one-sig-fig point and sits well inside the observed stability region. Docstring examples updated to 2e-5 (high accuracy, verified stable on strained with default gridMax) / 5e-4 (minimal). Details in test/convergence/results/calibration-notes.md. Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_01PpMZDeJn1DXH5NshhtCDqq --- python/ember/input.py | 8 +- src/grid.cpp | 10 +- test/convergence/results/calibration-notes.md | 187 ++++++++++++++++++ 3 files changed, 201 insertions(+), 4 deletions(-) create mode 100644 test/convergence/results/calibration-notes.md diff --git a/python/ember/input.py b/python/ember/input.py index 409d2ae..23b6b5e 100644 --- a/python/ember/input.py +++ b/python/ember/input.py @@ -400,9 +400,11 @@ class Grid(Options): #: estimate that accounts for the order of the selected #: ``general.convectionScheme``. The same value yields similar solution #: accuracy under either scheme; the higher-order scheme needs fewer - #: grid points. For high accuracy, ``errTol = 5e-4``; for minimal - #: accuracy, ``errTol = 0.01``. - errTol = FloatOption(2e-3, min=0) + #: grid points. On the calibration study cases the default gives + #: consumption-speed errors of a few parts in 10^4 with grids of + #: roughly 100-170 points. For high accuracy, ``errTol = 2e-5``; for + #: minimal accuracy, ``errTol = 5e-4``. + errTol = FloatOption(1e-4, min=0) #: Deprecated and ignored. Grid resolution is controlled by #: :attr:`errTol`. diff --git a/src/grid.cpp b/src/grid.cpp index 2256ef2..c9ab49c 100644 --- a/src/grid.cpp +++ b/src/grid.cpp @@ -22,7 +22,15 @@ void OneDimGrid::setOptions(const ConfigOptions& options) errCoeff = 0.125; // 1/8: piecewise-linear representation error } else { errorOrder = 2; - errCoeff = 1.0/15.0; // ~quadratic representation error; calibrated in [G5] + // Calibrated in [G5] for QoI-error parity with firstOrderUpwind at + // matched errTol: starting from the analytic estimate 1/15, the + // measured error ratio err_fou/err_sol on the convergence study + // cases was R = 2.85 (geometric mean over 3 cases x rungs 1-3, + // consumption speed). Since err_sol ~ (errTol/errCoeff)^(2/3), + // scaling errCoeff by R^(-3/2) = 1/4.81 multiplies err_sol by R, + // bringing the ratio to ~1: errCoeff = (1/15)/4.81 = 0.0139. + // See test/convergence/results/calibration-notes.md. + errCoeff = 0.0139; } absvtol = options.absvtol; rmTol = options.rmTol; diff --git a/test/convergence/results/calibration-notes.md b/test/convergence/results/calibration-notes.md new file mode 100644 index 0000000..51227c1 --- /dev/null +++ b/test/convergence/results/calibration-notes.md @@ -0,0 +1,187 @@ +# Task G5: Calibration of C_2 (secondOrderLimited errCoeff) and the default errTol + +Working notes for the calibration pass. Raw JSONs for the runs referenced here +live in `test/convergence/results-errtol/` (pre-calibration, C_2 = 1/15, +rungs 1-4 of the errTol ladder, all 3 cases x both schemes) and +`test/convergence/results-errtol-recal/` (post-calibration runs, C_2 = 0.0139). +These directories are untracked scratch outputs; this file records the numbers +that matter. All runs completed on the first attempt (no retries) unless noted. + +Code state: errTol-ladder harness from G4; error-budget criterion from G2 +(`E = errCoeff * h^(p+1) * max|d^(p+1)v| <= errTol * range(v)`), with +firstOrderUpwind (fou): p=1, C_1 = 0.125 and secondOrderLimited (sol): p=2, +C_2 = 1/15 before this calibration. + +## 1. Pre-calibration convergence tables (C_2 = 1/15) + +Reference for the error columns = rung 4 of the same (case, scheme), per the +Phase-2 protocol. `err_cs` / `err_pT` are relative errors of +`consumption_speed` / `peak_T`. + +### strained / firstOrderUpwind + +| rung | errTol | N | consumption_speed | peak_T | err_cs | err_pT | +|------|--------|---|-------------------|--------|--------|--------| +| 1 | 8e-3 | 80 | 0.3469285 | 1543.80 | 2.33e-02 | 6.48e-03 | +| 2 | 3.2e-3 | 122 | 0.3506173 | 1548.81 | 1.29e-02 | 3.26e-03 | +| 3 | 1.3e-3 | 172 | 0.3528842 | 1550.86 | 6.51e-03 | 1.94e-03 | +| 4 | 5e-4 | 266 | 0.3551978 | 1553.87 | (ref) | (ref) | + +### strained / secondOrderLimited + +| rung | errTol | N | consumption_speed | peak_T | err_cs | err_pT | +|------|--------|---|-------------------|--------|--------|--------| +| 1 | 8e-3 | 58 | 0.3577523 | 1559.53 | 3.73e-03 | 2.65e-04 | +| 2 | 3.2e-3 | 87 | 0.3580337 | 1559.20 | 2.94e-03 | 5.20e-05 | +| 3 | 1.3e-3 | 106 | 0.3588126 | 1559.19 | 7.74e-04 | 4.39e-05 | +| 4 | 5e-4 | 156 | 0.3590904 | 1559.12 | (ref) | (ref) | + +### twin / firstOrderUpwind + +| rung | errTol | N | consumption_speed | peak_T | err_cs | err_pT | +|------|--------|---|-------------------|--------|--------|--------| +| 1 | 8e-3 | 116 | 0.1723225 | 1839.22 | 6.07e-03 | 9.72e-04 | +| 2 | 3.2e-3 | 173 | 0.1719088 | 1840.32 | 3.66e-03 | 3.75e-04 | +| 3 | 1.3e-3 | 259 | 0.1715493 | 1840.79 | 1.56e-03 | 1.16e-04 | +| 4 | 5e-4 | 403 | 0.1712826 | 1841.01 | (ref) | (ref) | + +### twin / secondOrderLimited + +| rung | errTol | N | consumption_speed | peak_T | err_cs | err_pT | +|------|--------|---|-------------------|--------|--------|--------| +| 1 | 8e-3 | 83 | 0.1702724 | 1842.79 | 2.47e-03 | 1.90e-06 | +| 2 | 3.2e-3 | 116 | 0.1704729 | 1842.65 | 1.30e-03 | 7.29e-05 | +| 3 | 1.3e-3 | 183 | 0.1706369 | 1842.78 | 3.38e-04 | 5.12e-06 | +| 4 | 5e-4 | 234 | 0.1706947 | 1842.79 | (ref) | (ref) | + +### cylindrical / firstOrderUpwind + +| rung | errTol | N | consumption_speed | peak_T | err_cs | err_pT | +|------|--------|---|-------------------|--------|--------|--------| +| 1 | 8e-3 | 89 | 0.2271144 | 1781.83 | 1.61e-03 | 4.01e-03 | +| 2 | 3.2e-3 | 143 | 0.2271694 | 1785.27 | 1.36e-03 | 2.09e-03 | +| 3 | 1.3e-3 | 228 | 0.2273687 | 1787.73 | 4.89e-04 | 7.13e-04 | +| 4 | 5e-4 | 317 | 0.2274799 | 1789.00 | (ref) | (ref) | + +### cylindrical / secondOrderLimited + +| rung | errTol | N | consumption_speed | peak_T | err_cs | err_pT | +|------|--------|---|-------------------|--------|--------|--------| +| 1 | 8e-3 | 61 | 0.2271762 | 1791.19 | 1.91e-03 | 3.64e-04 | +| 2 | 3.2e-3 | 93 | 0.2274087 | 1791.61 | 8.90e-04 | 1.30e-04 | +| 3 | 1.3e-3 | 126 | 0.2275270 | 1791.80 | 3.71e-04 | 2.04e-05 | +| 4 | 5e-4 | 175 | 0.2276114 | 1791.84 | (ref) | (ref) | + +## 2. Parity ratios and R + +`ratio(rung) = err_fou / err_sol` at matched errTol, QoI = consumption speed +(rung-4 same-scheme references; rung 4 is excluded since its self-error is 0): + +| case | rung 1 | rung 2 | rung 3 | +|------|--------|--------|--------| +| strained | 6.25 | 4.38 | 8.42 | +| twin | 2.45 | 2.81 | 4.60 | +| cylindrical | 0.84 | 1.53 | 1.32 | + +**R = geometric mean over 9 (case, rung) pairs = 2.85** — outside the +[0.5, 2] keep-band, so C_2 was adjusted (section 3). + +Sanity checks: + +- peak_T: R_pT = 30.8, same direction (fou worse everywhere) but the + magnitude is not meaningful — sol peak_T errors run down to ~2e-6, i.e. + at reference-noise level, which inflates the ratio arbitrarily. +- Reference contamination: the rung-4 same-scheme reference biases the + slow-converging fou errors low much more than the sol errors. Recomputing + the ratios against scheme-independent continuum limits (Richardson + extrapolation of the prior vtol-study sol ladders: cs_inf = 0.35916 / + 0.1707226 / 0.22766 for strained / twin / cylindrical) gives R = 4.61. + The calibration below follows the specified protocol value R = 2.85, so it + is conservative: after recalibration sol remains somewhat *more* accurate + than fou at matched errTol on average (and cylindrical, which was already + at parity, is not pushed far below it). + +## 3. C_2 decision + +Applied: **C_2 = 1/15 -> 0.0139** in `OneDimGrid::setOptions` +(src/grid.cpp), i.e. C_2_new = (1/15) * R^(-3/2) = (1/15)/4.81. + +Note on the decision rule as written in the task brief: the brief stated +`err_sol ~ C_2^(2/3)` and `C_2_new = C_2 * R^(3/2)`. The proportionality has +an inverted sign: in the adaptation criterion a *larger* errCoeff produces a +*finer* grid (E exceeds the budget sooner), so `err_sol ~ (errTol/C_2)^(2/3)`. +Multiplying the sol error by R (the brief's stated intent, "bringing the +ratio to ~1") therefore requires scaling C_2 by R^(-3/2), not R^(+3/2). +Applying the +3/2 exponent literally would have refined sol grids ~1.7x +further and pushed the measured ratio from 2.85 up to ~8, away from parity. +The confirmation runs below verify the applied direction moves the ratio as +intended. + +GridAdaptation gtests after the change: all 7 pass +(`./bin/unittest --gtest_filter='GridAdaptation.*'`). + +### Confirmation runs (strained, rungs 2-3, both schemes, C_2 = 0.0139) + +fou control: bit-identical to pre-calibration (C_1 untouched) — confirmed +for rungs 2 and 3 (same N, same consumption speed to all digits). + +sol, errors vs the continuum limit cs_inf = 0.35916 (the post-cal rung-4 run +is too coarse, N = 130, to serve as a reference for its own ladder): + +| rung | N pre -> post | err_cs pre -> post | factor (predicted x2.85) | +|------|---------------|--------------------|--------------------------| +| 2 | 87 -> 71 | 3.14e-3 -> 2.92e-3 | x0.93 | +| 3 | 106 -> 80 | 9.67e-4 -> 2.54e-3 | x2.63 | +| 4 | 156 -> 130 | 1.94e-4 -> 1.28e-3 | x6.62 | + +Grids coarsen at every rung as expected. The error moves are noisy per rung +(the strained pre-cal curve is lumpy: rung 2 was barely better than rung 1, +rung 4 anomalously good), but the geometric-mean move over rungs 2-4 is +x2.5, matching the predicted x2.85 within the scatter, and the matched-errTol +ratio at rung 3 drops from 18.1 to 6.9 (continuum refs). Direction and +magnitude confirmed. + +## 4. Default errTol + +Decision runs: sol scheme, post-calibration C_2 = 0.0139, **default +gridMax = 2e-4** (unlike the ladder, which co-scales gridMax — this is what +a default-config user actually gets). Errors vs the continuum limits given +above (their own uncertainty is ~1.7e-4 relative for strained, ~1.2e-5 for +twin, ~1.8e-4 for cylindrical). + +| errTol | strained N / err_cs | twin N / err_cs | cylindrical N / err_cs | geo-mean err | +|--------|--------------------|-----------------|------------------------|--------------| +| 2e-4 | 98 / 1.12e-3 | 141 / 7.30e-4 | 106 / 6.14e-4 | 7.9e-4 | +| **1e-4** | **115 / 6.5e-4** | **165 / 4.2e-4** | **154 / 3.1e-4** | **4.4e-4** | +| 5e-5 | 146 / 4.11e-4 | 205 / 3.29e-4 | 172 / 1.51e-4 | 2.7e-4 | +| 2e-5 | 184 / 1.51e-4 | (not run) | (not run) | — | + +**Chosen default: errTol = 1e-4** (`Grid.errTol` in python/ember/input.py; +docstring examples: high accuracy 2e-5, minimal accuracy 5e-4, i.e. 5x +tighter / 5x looser). + +Rationale and honest accounting against the owner envelope +(err_cs ~ 1e-4 at N ~ 100): + +- The envelope is not jointly attainable on these cases with this scheme: + reaching err_cs ~ 1e-4 measurably requires errTol ~ 2e-5 and N ~ 180-250, + while N ~ 100 (errTol = 2e-4) delivers err_cs ~ 8e-4. +- errTol = 1e-4 is the balanced one-significant-figure point: N stays within + 1.2-1.7x of 100 while errors land at 3-6.5e-4 (part of which is reference + uncertainty for strained/cylindrical). Tightening to 5e-5 buys only ~1.6x + in error for ~25% more points, with visible flattening on twin + (4.2e-4 -> 3.3e-4), consistent with a far-field error floor from the + default gridMax. +- Robustness: with the ladder's co-scaled gridMax = 4e-5, strained fails + deterministically (CVODE "too many errors", 3/3 attempts) at + errTol = 2.5e-5 and 5e-5 — the known stability boundary in that regime. + With the *default* gridMax = 2e-4 the same case runs cleanly down to at + least errTol = 2e-5 (N = 184, 2.5 s). The default 1e-4 sits well inside + the stable region; the docstring's high-accuracy example 2e-5 was verified + to run on the strained case with default gridMax. + +## 5. Files changed + +- `src/grid.cpp`: sol-branch `errCoeff` 1/15 -> 0.0139 (+ comment). +- `python/ember/input.py`: `Grid.errTol` default 2e-3 -> 1e-4; docstring + updated (measured accuracy statement; example values 2e-5 / 5e-4). From 18fe7254341538b7db2e86d7f48d1eaf28c0befc Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sun, 5 Jul 2026 20:45:42 -0400 Subject: [PATCH 33/37] =?UTF-8?q?convection:=20[G6]=20errTol=20acceptance?= =?UTF-8?q?=20ladder=20=E2=80=94=20P2.4=20verdict,=20parity=20+=20tol->err?= =?UTF-8?q?or=20tables?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Ran the full errTol ladder (rungs 0-5, 3 cases x 2 schemes, 36 runs) at G5's post-calibration constants. Hard criterion PASSES: zero CVODE failures anywhere, including the two configs that failed deterministically under old vtol (strained sol rung 5, cylindrical sol rungs 4-5); grid trajectories all overshoot-then-plateau with bounded, decaying convection step counts (vs. the old divergence into 10,000-16,000). Parity geo-mean R=1.70 (within 2x band, improved from pre-cal 2.85), with an anomaly flagged for strained's persistently >2x per-rung ratio. plot_convergence.py gains the errTol parity view, the errTol->error table, and the sol/fou N-ratio table (the vtol->errTol metadata migration itself was already a no-op per G4). Full verdict, tables, and anomalies in spec addendum §A. Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_01PpMZDeJn1DXH5NshhtCDqq --- ...7-05-error-based-grid-adaptation-design.md | 195 +++++++++++++++++ test/convergence/plot_convergence.py | 197 ++++++++++++++++-- 2 files changed, 372 insertions(+), 20 deletions(-) diff --git a/docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md b/docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md index 5d42fd6..13f0cee 100644 --- a/docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md +++ b/docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md @@ -184,3 +184,198 @@ both schemes; `errTol` ladder):** - **Limiter σ-freeze / smoothing** — only if a previously failing configuration still fails *with a settled grid* (pure H1 stiffness); joins the plan as a scoped item, not a new design pass. + +## A. Validation results (G6) + +*Appended by Task G6. Full errTol ladder (rungs 0–5, 3 cases × +2 schemes = 36 runs) run at commit `dc5e197` (G5, post-calibration +`errCoeff`: `C_1 = 0.125`, `C_2 = 0.0139`; default `Grid.errTol = 1e-4`). +Raw JSONs/plots: `test/convergence/results-errtol-final/` (untracked +scratch, per the G4/G5 convention — `results/` stays reserved for the +Task-2.2 vtol-era history). All 36 runs completed on the first attempt +(no retries).* + +### A.1 Run matrix and the §P2.4 hard criterion + +**Result: 36/36 runs completed. Zero CVODE failures anywhere in the +ladder** — including `secondOrderLimited` (sol) at strained rung 5 and +cylindrical rungs 4–5, the exact (case, rung) combinations that failed +deterministically under the old `vtol`/`dvtol` criterion (spec +§P2.4). No gridMax-vs-criterion disentangling probe was needed (it is +only called for when a run fails; none did). + +**Grid settling.** `analyze_settling.py`'s SETTLED/NOT SETTLED heuristic +(±3 grid points over the last 25% of profile outputs) reports 14/36 runs +as NOT SETTLED, including several `firstOrderUpwind` twin runs that have +never had a stability problem in this study. Manual trajectory inspection +of all 36 `prof*.h5` N-sequences shows **zero cases of monotonic, +unbounded growth** (the actual §P2.4 failure signature) — every +trajectory overshoots then plateaus; the "NOT SETTLED" calls are an +artifact of the tool's fixed absolute-point tolerance not scaling with N, +which has grown well past the Task 2.2-era ladder the tool's default was +tuned against (up to N=631 here). Tail spread on the flagged runs is 1–9 +points on N in the tens-to-hundreds (≤4% relative), with no run's tail +window monotonically increasing. Selected trajectories for the two +previously-failing configurations, at their finest rungs: + +| run | N trajectory (tail) | +|---|---| +| strained sol rung 5 | …229, 222, 221, 221, 224, 219, **218, 217, 217, 217, 217, 218, 218, 218** | +| cylindrical sol rung 4 | …134, 132, 130, 130, 130, 130, **130** (settled, flagged SETTLED) | +| cylindrical sol rung 5 | …184, 184, 185, 185, 184, 183, 183, 183, 184, **183, 183, 183** (settled) | + +**Convection CVODE step counts** (per-global-step `[C: N]`, from the run +logs), compared against the §P2.3 divergence signature (climbing into the +thousands/tens-of-thousands in lockstep with N, e.g. old strained sol +rung 5: 350→3,900; old cylindrical sol rung 4: 10,000–16,000): + +| run | steps/global-step: min / max / last-10 range | +|---|---| +| strained sol rung 5 (N=218) | 53 / 314 / 53–64 | +| strained sol rung 4 (N=130) | 47 / 297 / 47–50 | +| cylindrical sol rung 4 (N=122) | 274 / 646 / 274–285 | +| cylindrical sol rung 5 (N=183) | 282 / 646 / 282–294 | +| twin sol rung 5 (N=302, reference: never failed) | 255 / 545 / 318–327 | + +All bounded to two-to-three digits and **decaying** to a steady low value +by the end of each run — the opposite of the old divergence signature, and +in the same range as `twin` sol (which never failed under the old +criterion either). This is the strongest single piece of evidence that +the error-budget criterion has structurally removed the §P2.4 feedback +loop, per its design intent (§1, §2). + +**Accuracy vs. the "old vtol rung-5" bar.** Because sol under `vtol` +never completed rung 5 for strained or cylindrical (the P2.4 failure +itself), there is no direct "old sol rung-5" number for those two cases; +two reasonable stand-ins were evaluated: + +1. *Continuum reference* (Richardson-extrapolated `cs_inf` from + calibration-notes.md: 0.35916 / 0.1707226 / 0.22766 for + strained/twin/cylindrical), old target = best-*completed* old-vtol sol + rung (strained rung 4, twin rung 5, cylindrical rung 3): target errors + 1.56e-4 / 7.2e-6 / 2.25e-4. Under this reference the new ladder's + finest rung (rung 5, errTol=2e-4) does not quite clear the bar for + strained (1.96e-4) or cylindrical (5.1e-4); twin's target is + unreachable by construction (`cs_inf` for twin is itself anchored + close to twin's own old-vtol rung 5, making that target near-tautological). +2. *Old-vtol `firstOrderUpwind` rung 5* (the one rung-5 baseline that + completed in **every** case under the old ladder) as the target: errors + 1.09e-2 / 2.67e-3 / 5.6e-4 for strained/twin/cylindrical. Under this + (arguably fairer, non-circular) reference, new-ladder sol clears the + bar from **rung 0** (strained), **rung 3** (twin), and **rung 5** + (cylindrical). + +Either way, the two accuracy-qualifying rungs for the higher-strain cases +land at or near the ladder's finest rungs (4–5), matching the task's +prior expectation — and since **every** rung 0–5 completes and settles +cleanly for every case/scheme (§A.1 above), the precise rung threshold +does not change the verdict. + +**Hard criterion: PASSES.** At and beyond the qualifying rungs, strained +and cylindrical sol complete with a settling grid and bounded (decaying) +convection step counts. No contingency (growth cap or σ-freeze, spec §5) +is needed. + +### A.2 Parity (fou vs. sol at matched errTol) + +Ratio `err_fou / err_sol` for `consumption_speed`, own-scheme finest-rung +(rung 5) self-reference (matching the G5 calibration convention), rungs +1–4: + +| case | rung 1 | rung 2 | rung 3 | rung 4 | +|---|---|---|---|---| +| strained | 4.41 | 5.40 | 3.81 | 2.67 | +| twin | 0.71 | 1.55 | 3.03 | 2.21 | +| cylindrical | 0.38 | 0.86 | 0.94 | 1.07 | + +**Geometric mean over all 12 (case, rung) points: R = 1.70** — inside the +~2× parity acceptance band, and much closer to 1 than the pre-calibration +R = 2.85 (calibration-notes.md §2), confirming the G5 recalibration moved +in the intended direction. + +**Anomaly:** strained's per-rung ratios (2.7–5.4×) sit above the 2× +band at *every* rung, not just "drift at the extremes" as the ≈errTol^(1/6) +model predicts. This tracks strained's already-elevated pre-calibration +ratios (6.25/4.38/8.42 at rungs 1–3, calibration-notes.md §2) scaled down +by roughly the intended R^(-1) factor — i.e. the calibration, tuned to a +3-case geometric mean, undershoots parity specifically for the +highest-strain case. Not a regression from G5 (expected and disclosed +there); flagged here for visibility since it persists across the whole +ladder rather than only at the tolerance extremes. + +`peak_T` ratios (5–220×) are not meaningful, per the same caveat noted in +calibration-notes.md §2: sol's `peak_T` sits at the noise floor +(~1e-5–1e-4) in every case, so any nonzero fou `peak_T` error inflates the +ratio arbitrarily even though both errors are tiny in absolute terms. + +**N-ratio (fou/sol) at matched errTol**, cross-scheme (finest-sol) +reference, rungs 0–5 (full table: +`test/convergence/results-errtol-final/plots/errtol_error_table.md`): + +| case | rung 0 | rung 1 | rung 2 | rung 3 | rung 4 | rung 5 | +|---|---|---|---|---|---|---| +| strained | 1.96 | 1.95 | 1.72 | 2.15 | 2.05 | 1.93 | +| twin | 1.83 | 2.32 | 1.88 | 1.74 | 2.10 | 2.09 | +| cylindrical | 1.64 | 2.23 | 2.17 | 2.35 | 2.60 | 2.89 | + +sol consistently uses ~1.6–2.9× fewer points than fou at matched errTol, +across the whole ladder — the expected higher-order-scheme benefit, +growing mildly at tighter tolerances for cylindrical. + +### A.3 errTol → measured QoI-error table + +Cross-scheme reference (finest `secondOrderLimited` run per case); +full machine-generated table with all rungs/metrics: +`test/convergence/results-errtol-final/plots/errtol_error_table.md` +(generated by `plot_convergence.py`, not hand-edited). Headline values, +`consumption_speed`, `secondOrderLimited`: + +| errTol | strained N / err | twin N / err | cylindrical N / err | +|---|---|---|---| +| 2e-2 | 28 / 5.76e-3 | 41 / 1.16e-2 | 36 / 8.13e-3 | +| 8e-3 | 41 / 6.16e-3 | 50 / 1.01e-2 | 40 / 4.88e-3 | +| 3.2e-3 | 71 / 3.11e-3 | 92 / 3.05e-3 | 66 / 1.86e-3 | +| 1.3e-3 | 80 / 2.74e-3 | 149 / 8.64e-4 | 97 / 7.72e-4 | +| 5e-4 | 130 / 1.48e-3 | 192 / 4.81e-4 | 122 / 2.23e-4 | +| 2e-4 (rung 5, finest tested) | 218 / (ref) | 302 / (ref) | 183 / (ref) | + +(Rung 5 is the reference run for its own case/scheme in this convention, +hence "(ref)"; see §A.1 for its absolute accuracy against the +independent `cs_inf` continuum estimate.) Plots (error-vs-N, error-vs- +errTol per case/metric): `test/convergence/results-errtol-final/plots/`. + +### A.4 G5 calibration summary (recap) + +`errCoeff` recalibrated `1/15 → 0.0139` for `secondOrderLimited` +(`C_2 = C_2_old · R^(-3/2)`, R = 2.85 measured pre-calibration parity +ratio); default `Grid.errTol` set to `1e-4`. **Sign-off pending:** the +task brief specified `C_2_new = C_2 · R^(+3/2)`; G5 determined this +exponent is inverted (larger `errCoeff` refines the grid *sooner*, so +matching the brief's stated intent — "bring the ratio to ~1" — requires +the negative exponent) and applied `R^(-3/2)` instead, with the derivation +documented in `test/convergence/results/calibration-notes.md` §3 and +independently re-derived by the G5 code reviewer. This sign correction +and the errTol=1e-4 default (which does not jointly attain the owner's +informal envelope of err~1e-4 @ N~100 — measured N=115–192, err=2.2e-4– +1.0e-2 across cases at default `errTol`) are both **pending explicit +owner sign-off**, per the G5 ledger entry. + +### A.5 Anomalies and open items + +- `analyze_settling.py`'s fixed `tol_pts=3` absolute tolerance produces + false "NOT SETTLED" calls once N grows past a few hundred (§A.1); a + relative tolerance (e.g. tail spread as a fraction of N) would track + actual settling more reliably. Not fixed here (analysis-only task; + no `src/` or harness changes authorized by this task). +- The "old vtol rung-5 accuracy" bar is not uniquely defined for strained + and cylindrical, since old-vtol sol never reached rung 5 there (that + failure is the reason for this whole design pass). §A.1 evaluates both + reasonable stand-ins; both support the same PASS verdict. +- strained's persistent >2× parity gap across all of rungs 1–4 (§A.2) is + a candidate for a case-specific recalibration note if tighter parity is + wanted for high-strain flames specifically, rather than the current + single global `C_2`. +- Default `Grid.errTol=1e-4` sits between this ladder's rung 4 (5e-4) and + rung 5 (2e-4); it was not run as its own rung here (out of scope for + the ladder, already characterized in calibration-notes.md §4 with + default `gridMax`). diff --git a/test/convergence/plot_convergence.py b/test/convergence/plot_convergence.py index f97a832..0cdfa64 100644 --- a/test/convergence/plot_convergence.py +++ b/test/convergence/plot_convergence.py @@ -1,14 +1,27 @@ #!/usr/bin/env python """ -Plot error-vs-N grid-convergence curves from the JSON files produced by -run_convergence.py (Task 2.2's convergence study; see spec §6.4). +Plot grid-convergence curves from the JSON files produced by +run_convergence.py (the errTol-ladder study; see spec §6.4 and +docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md §4). For each requested case, loads every ``results/__rung*.json`` file (excluding any ``--damp-const`` trials, which are a separate one-off comparison, not part of the main convergence ladder), takes the finest -(largest-N) ``secondOrderLimited`` run as the reference solution, and plots -normalized error vs. N (log-log) for both schemes on one figure per -(case, metric) pair -- metrics: ``consumption_speed`` and ``peak_T``. +(largest-N) ``secondOrderLimited`` run as the reference solution, and +produces, per (case, metric): + +- error vs. N (log-log) -- the original Task 2.2 view. +- error vs. errTol (log-log) -- the parity view (Task G6): same-errTol + points from both schemes should track within a bounded band. + +It also writes, per case, an sol/fou N-ratio table at matched errTol (rung +index), and a combined errTol -> measured-QoI-error markdown table across +all cases/schemes for use in user docs. + +Note: this script has always kept its metadata in scheme-and-tolerance- +agnostic terms (``grid_tolerances`` is a free-form dict; runs are grouped +purely by case/scheme/rung) -- there is no ``vtol``/``dvtol`` naming to +migrate here. Task G6 only adds the errTol-specific views above. Usage: pixi run python test/convergence/plot_convergence.py \\ @@ -20,7 +33,7 @@ the reference; requires at least two runs total (any scheme) to plot a curve. Cases/metrics without enough data are skipped with a warning, not a hard failure, since this script may be run against a partial results -directory during Task 2.2. +directory. """ import argparse @@ -67,38 +80,60 @@ def load_runs(resultsdir, case): return runs -def plot_case_metric(case, metric, runs, outdir): +def reference_run_and_value(case, metric, runs): + """Pick the finest (largest-N) secondOrderLimited run as the reference + solution and return (reference_run, ref_value), or (None, None) if + unavailable. Shared by all plot/table functions below so every view + uses the same reference convention (matches the Task 2.2 precedent in + the spec addendum §P2.2 / calibration-notes.md).""" ref_candidates = runs.get('secondOrderLimited', []) if not ref_candidates: print(' [skip] %s / %s: no secondOrderLimited runs found for reference' % (case, metric)) - return + return None, None reference_run = ref_candidates[-1] # largest N ref_value = reference_run['scalars'].get(metric) if ref_value is None: print(' [skip] %s / %s: reference run has null %s' % (case, metric, metric)) - return + return None, None + return reference_run, ref_value - fig, ax = plt.subplots(figsize=(6, 4.5)) - any_plotted = False + +def scheme_errors(metric, runs, reference_run, ref_value): + """Per scheme, list of (N, errTol, rung, err) tuples vs. (reference_run, + ref_value), excluding the reference run itself and non-positive/None + errors (zero error breaks the log scale; a real duplicate is not + informative on a log-log plot either).""" + out = {} for scheme in SCHEMES: - Ns = [] - errs = [] + points = [] for run in runs.get(scheme, []): value = run['scalars'].get(metric) - if value is None: - continue - # Skip the reference run itself (zero error, breaks log scale). - if run is reference_run: + if value is None or run is reference_run: continue err = abs(value - ref_value) / abs(ref_value) if err <= 0: continue - Ns.append(run['N']) - errs.append(err) - if len(Ns) < 2: + errtol = run.get('grid_tolerances', {}).get('errTol') + points.append((run['N'], errtol, run.get('rung'), err)) + out[scheme] = points + return out + + +def plot_case_metric(case, metric, runs, outdir): + reference_run, ref_value = reference_run_and_value(case, metric, runs) + if reference_run is None: + return + errors = scheme_errors(metric, runs, reference_run, ref_value) + + fig, ax = plt.subplots(figsize=(6, 4.5)) + any_plotted = False + for scheme in SCHEMES: + points = [(N, err) for N, errtol, rung, err in errors[scheme]] + if len(points) < 2: continue any_plotted = True + Ns, errs = zip(*points) ax.loglog(Ns, errs, marker=MARKERS[scheme], markersize=8, linewidth=2, color=COLORS[scheme], label=scheme) @@ -122,6 +157,125 @@ def plot_case_metric(case, metric, runs, outdir): print(' wrote %s' % out_path) +def plot_case_metric_vs_errtol(case, metric, runs, outdir): + """The parity view (Task G6, spec §4): error vs. errTol (log-log), one + line per scheme. At matched errTol the two schemes' errors should track + within a bounded band (the ~2x parity acceptance / errTol^(1/6) drift + documented in spec §2).""" + reference_run, ref_value = reference_run_and_value(case, metric, runs) + if reference_run is None: + return + errors = scheme_errors(metric, runs, reference_run, ref_value) + + fig, ax = plt.subplots(figsize=(6, 4.5)) + any_plotted = False + for scheme in SCHEMES: + points = [(errtol, err) for N, errtol, rung, err in errors[scheme] + if errtol is not None] + if len(points) < 2: + continue + any_plotted = True + points.sort() + errtols, errs = zip(*points) + ax.loglog(errtols, errs, marker=MARKERS[scheme], markersize=8, linewidth=2, + color=COLORS[scheme], label=scheme) + + if not any_plotted: + print(' [skip] %s / %s (vs errTol): fewer than 2 comparable points for any scheme' % + (case, metric)) + plt.close(fig) + return + + ax.invert_xaxis() # tighter tolerance (smaller errTol) to the right + ax.set_xlabel('errTol') + ax.set_ylabel('relative error vs. finest secondOrderLimited run') + ax.set_title('%s: %s vs. errTol (parity view)' % (case, metric)) + ax.grid(True, which='both', linewidth=0.5, color='#c3c2b7', alpha=0.5) + ax.legend(frameon=False) + fig.tight_layout() + + os.makedirs(outdir, exist_ok=True) + out_path = os.path.join(outdir, '%s_%s_vs_errtol.png' % (case, metric)) + fig.savefig(out_path, dpi=150) + plt.close(fig) + print(' wrote %s' % out_path) + + +def n_ratio_table(case, runs): + """sol/fou N-ratio at matched errTol (matched by rung index, since both + schemes share the same nominal errTol per rung -- see RUNGS in + run_convergence.py). Returns a list of + (rung, errTol_fou, errTol_sol, N_fou, N_sol, ratio) sorted by rung.""" + by_rung = {'firstOrderUpwind': {}, 'secondOrderLimited': {}} + for scheme in SCHEMES: + for run in runs.get(scheme, []): + rung = run.get('rung') + if rung is not None: + by_rung[scheme][rung] = run + rows = [] + for rung in sorted(set(by_rung['firstOrderUpwind']) & set(by_rung['secondOrderLimited'])): + fou_run = by_rung['firstOrderUpwind'][rung] + sol_run = by_rung['secondOrderLimited'][rung] + n_fou = fou_run['N'] + n_sol = sol_run['N'] + rows.append((rung, + fou_run.get('grid_tolerances', {}).get('errTol'), + sol_run.get('grid_tolerances', {}).get('errTol'), + n_fou, n_sol, + n_fou / n_sol if n_sol else float('nan'))) + return rows + + +def write_errtol_error_table(cases, resultsdir, outdir): + """Combined errTol -> measured-QoI-error markdown table across all + cases/schemes/metrics (deliverable: docs artifact per spec §4), plus the + sol/fou N-ratio at matched errTol per case.""" + os.makedirs(outdir, exist_ok=True) + out_path = os.path.join(outdir, 'errtol_error_table.md') + lines = ['# errTol -> measured QoI error', + '', + 'Reference (per case/metric): finest (largest-N) ' + '`secondOrderLimited` run loaded from `%s`. Generated by ' + '`plot_convergence.py`; do not hand-edit.' % resultsdir, + ''] + for case in cases: + runs = load_runs(resultsdir, case) + n_found = sum(len(v) for v in runs.values()) + if n_found == 0: + continue + lines.append('## %s' % case) + lines.append('') + for metric in METRICS: + reference_run, ref_value = reference_run_and_value(case, metric, runs) + if reference_run is None: + continue + errors = scheme_errors(metric, runs, reference_run, ref_value) + lines.append('### %s (ref N=%d, value=%.6g)' % + (metric, reference_run['N'], ref_value)) + lines.append('') + lines.append('| scheme | rung | errTol | N | rel. error |') + lines.append('|---|---|---|---|---|') + for scheme in SCHEMES: + for N, errtol, rung, err in sorted( + errors[scheme], key=lambda p: (p[2] if p[2] is not None else -1)): + lines.append('| %s | %s | %s | %d | %.3e |' % + (scheme, rung, errtol, N, err)) + lines.append('') + ratio_rows = n_ratio_table(case, runs) + if ratio_rows: + lines.append('### N-ratio (fou/sol) at matched errTol') + lines.append('') + lines.append('| rung | errTol (fou) | errTol (sol) | N (fou) | N (sol) | N ratio |') + lines.append('|---|---|---|---|---|---|') + for rung, et_fou, et_sol, n_fou, n_sol, ratio in ratio_rows: + lines.append('| %d | %s | %s | %d | %d | %.2f |' % + (rung, et_fou, et_sol, n_fou, n_sol, ratio)) + lines.append('') + with open(out_path, 'w') as f: + f.write('\n'.join(lines) + '\n') + print(' wrote %s' % out_path) + + def main(): parser = argparse.ArgumentParser( description=__doc__, formatter_class=argparse.RawDescriptionHelpFormatter) @@ -141,6 +295,9 @@ def main(): continue for metric in METRICS: plot_case_metric(case, metric, runs, outdir) + plot_case_metric_vs_errtol(case, metric, runs, outdir) + + write_errtol_error_table(args.cases, args.resultsdir, outdir) if __name__ == '__main__': From e3a1b8873f4a7ee56e6182c73e0026a7bd19df76 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Sun, 5 Jul 2026 20:53:30 -0400 Subject: [PATCH 34/37] convection: [G6] address review: parity verdict PARTIAL + envelope reconciliation MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Review fixes to spec addendum §A: (1) parity verdict relabeled PARTIAL -- within ~2x in aggregate (R=1.70) and for twin/cylindrical individually, but strained exceeds the band at every rung 1-4 (2.67-5.40x), which the spec's drift-at-extremes language does not license; documents that no single global C_2 can bring all three cases inside 2x simultaneously (pre-cal per-case geomeans spanned ~5x) and lists the three options as an owner decision. Hard-criterion PASS unchanged. (2) §A.4 envelope-range reconciliation sentence: the wider N/err span here covers all cases/ schemes/QoIs, vs. calibration-notes.md §4's sol-only consumption-speed span at errTol=1e-4 -- same operating point, different scope. Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_01PpMZDeJn1DXH5NshhtCDqq --- ...7-05-error-based-grid-adaptation-design.md | 50 +++++++++++++------ 1 file changed, 35 insertions(+), 15 deletions(-) diff --git a/docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md b/docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md index 13f0cee..43c6fce 100644 --- a/docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md +++ b/docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md @@ -288,20 +288,33 @@ Ratio `err_fou / err_sol` for `consumption_speed`, own-scheme finest-rung | twin | 0.71 | 1.55 | 3.03 | 2.21 | | cylindrical | 0.38 | 0.86 | 0.94 | 1.07 | -**Geometric mean over all 12 (case, rung) points: R = 1.70** — inside the -~2× parity acceptance band, and much closer to 1 than the pre-calibration -R = 2.85 (calibration-notes.md §2), confirming the G5 recalibration moved -in the intended direction. - -**Anomaly:** strained's per-rung ratios (2.7–5.4×) sit above the 2× -band at *every* rung, not just "drift at the extremes" as the ≈errTol^(1/6) -model predicts. This tracks strained's already-elevated pre-calibration -ratios (6.25/4.38/8.42 at rungs 1–3, calibration-notes.md §2) scaled down -by roughly the intended R^(-1) factor — i.e. the calibration, tuned to a -3-case geometric mean, undershoots parity specifically for the -highest-strain case. Not a regression from G5 (expected and disclosed -there); flagged here for visibility since it persists across the whole -ladder rather than only at the tolerance extremes. +**Parity verdict: PARTIAL.** In *aggregate* the criterion is met: +geometric mean over all 12 (case, rung) points is **R = 1.70**, inside +the ~2× band and much closer to 1 than the pre-calibration R = 2.85 +(calibration-notes.md §2) — the G5 recalibration moved in the intended +direction. twin and cylindrical are also individually within the band +(per-case geomeans 1.65 and 0.76). But **strained exceeds the band at +every rung 1–4** (2.67–5.40×, per-case geomean 3.95), which the spec §2 +"drift toward the extremes" (≈errTol^(1/6)) language does not license — +that model predicts band violation only at the tolerance extremes, not +across the whole practical range. This is not a clean PASS. + +The residual is structural, not a calibration mistake: the +pre-calibration per-case geomeans spanned ~5× (strained 6.13, twin 3.16, +cylindrical 1.19), so **no single global `C_2` can bring all three cases +inside the 2× band simultaneously** — shifting `C_2` to fix strained +would push cylindrical (already at/below parity) out the other side. The +G5 calibration, tuned to the 3-case geometric mean per protocol, +necessarily lands strained high and cylindrical low. **Owner decision +required** — options: (a) accept the aggregate-parity interpretation of +the §4 criterion as satisfied; (b) keep the global `C_2` and add +per-case/per-regime guidance to user docs (e.g. "for highly strained +flames, expect the first-order scheme to need a few× tighter errTol for +matched accuracy"); or (c) revisit the calibration weighting (e.g. +minimax over cases instead of geometric mean, or a strain-dependent +`C_2`). Not a regression from G5 (the spread was disclosed there); +flagged here because the acceptance criterion as written is not met for +strained individually. `peak_T` ratios (5–220×) are not meaningful, per the same caveat noted in calibration-notes.md §2: sol's `peak_T` sits at the noise floor @@ -358,7 +371,14 @@ independently re-derived by the G5 code reviewer. This sign correction and the errTol=1e-4 default (which does not jointly attain the owner's informal envelope of err~1e-4 @ N~100 — measured N=115–192, err=2.2e-4– 1.0e-2 across cases at default `errTol`) are both **pending explicit -owner sign-off**, per the G5 ledger entry. +owner sign-off**, per the G5 ledger entry. (Envelope-range +reconciliation: the N=115–192 / 2.2e-4–1.0e-2 span quoted here covers +all three cases, both schemes, and both QoIs from this ladder's runs +bracketing the default; the tighter N=115–165 / err_cs=3.1–6.5e-4 span +in calibration-notes.md §4 covers `secondOrderLimited` consumption +speed only, measured directly at errTol=1e-4 with default gridMax. The +two describe the same operating point at different scope, not a +discrepancy.) ### A.5 Anomalies and open items From bbc2e69441685e9122c64ae3feb0c6f1a87cb9cb Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Mon, 6 Jul 2026 08:13:32 -0400 Subject: [PATCH 35/37] convection: [G7] baseline regression at errTol defaults + close-out Reran the Phase-1 curated baseline set at library defaults (errTol=1e-4, secondOrderLimited) and compared against the Phase-1 secondOrderLimited baselines. 5/6 cases pass the amended spec Sec4 scalar criterion with wide margin (peak_T/consumption_speed deltas <=1.24e-3), but N grew 10-23% for every completing case, and example_single fails to complete outright (deterministic CVODE Integrator error, reproduced at nThreads=1, cleared by loosening errTol to 2e-4/5e-4) -- a robustness gap outside the G1-G6 three-case ladder, surfaced here for owner review alongside the other pending errTol=1e-4 default questions. Not tuned away per instruction. Also: retune the three test_flame_configs.py Grid(errTol=...) call sites and example_laminarFlameSpeed.py's default config to the post-G5-calibration errCoeff (both were still tuned against the pre-calibration C_2, ~2.85x too tight); fix input.py's stale rmTol docstring (compares against errTol, not vtol/dvtol); and replace analyze_settling.py's fixed tol_pts=3 with a tail-size-relative tolerance, since the absolute floor was flagging plateaued high-N ladder runs as NOT SETTLED. Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_01PpMZDeJn1DXH5NshhtCDqq --- .../examples/example_laminarFlameSpeed.py | 2 +- python/ember/input.py | 2 +- test/convergence/README.md | 105 + test/convergence/analyze_settling.py | 25 +- .../example_cylindrical_inward.json | 1746 +++++++++++++ .../example_cylindrical_outward.json | 1586 ++++++++++++ .../baselines-errtol/example_diffusion.json | 2168 +++++++++++++++++ .../example_laminarFlameSpeed.json | 1877 ++++++++++++++ .../baselines-errtol/example_twin.json | 1736 +++++++++++++ test/python/test_flame_configs.py | 6 +- 10 files changed, 9247 insertions(+), 6 deletions(-) create mode 100644 test/convergence/results/baselines-errtol/example_cylindrical_inward.json create mode 100644 test/convergence/results/baselines-errtol/example_cylindrical_outward.json create mode 100644 test/convergence/results/baselines-errtol/example_diffusion.json create mode 100644 test/convergence/results/baselines-errtol/example_laminarFlameSpeed.json create mode 100644 test/convergence/results/baselines-errtol/example_twin.json diff --git a/python/ember/examples/example_laminarFlameSpeed.py b/python/ember/examples/example_laminarFlameSpeed.py index 8536ff6..20f8552 100644 --- a/python/ember/examples/example_laminarFlameSpeed.py +++ b/python/ember/examples/example_laminarFlameSpeed.py @@ -23,7 +23,7 @@ General(fixedLeftLocation=True, fixedBurnedVal=False, nThreads=4), - Grid(errTol=1.5e-3, gridMin=5e-6, gridMax=0.001), + Grid(errTol=5e-4, gridMin=5e-6, gridMax=0.001), PositionControl(proportionalGain=2000, xInitial=0.005, xFinal=0.005), TerminationCondition(tolerance=1e-5), Times(profileStepInterval=50)) diff --git a/python/ember/input.py b/python/ember/input.py index 23b6b5e..11a043a 100644 --- a/python/ember/input.py +++ b/python/ember/input.py @@ -414,7 +414,7 @@ class Grid(Options): #: :attr:`errTol`. dvtol = FloatOption(None, level=3) - #: Relative tolerance (compared to vtol and dvtol) for grid point removal. + #: Relative tolerance (compared to errTol) for grid point removal. rmTol = FloatOption(0.6, level=1) #: Parameter to limit numerical diffusion in regions with high diff --git a/test/convergence/README.md b/test/convergence/README.md index 96f247b..63cefc5 100644 --- a/test/convergence/README.md +++ b/test/convergence/README.md @@ -616,3 +616,108 @@ produces valid output for all three cases and both BC families for `twin` and `cylindrical`) at the coarsest rung; the full multi-rung, multi-scheme sweep (needed to actually assess convergence order) is Task 2.2's job. + +## errTol-based grid adaptation (Tasks G1-G7) + +Tasks G1-G6 replaced the `vtol`/`dvtol` grid-refinement criterion with a +dimensional, scheme-aware local-error budget (`Grid.errTol`, default +`1e-4`; `vtol`/`dvtol` are now deprecated/ignored, see +`python/ember/input.py`). Design and full evidence chain: +`docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md` +(addendum §A covers the G6 errTol-ladder acceptance run in detail). +Calibration of the `secondOrderLimited` error coefficient +(`errCoeff`, `1/15 -> 0.0139`) and the chosen default `errTol`: +`test/convergence/results/calibration-notes.md`. Raw ladder JSONs/plots +(untracked, regenerate via `run_convergence.py`/`plot_convergence.py`): +`test/convergence/results-errtol-final/`. The tol -> measured-QoI-error +table referenced throughout the design doc is +`test/convergence/results-errtol-final/plots/errtol_error_table.md` +(machine-generated by `plot_convergence.py`). + +### Grid-settling analyzer (`analyze_settling.py`) + +`analyze_settling.py [ ...]` inspects the numbered +`profNNNNNN.h5` outputs in a `run_convergence.py`/`run_baselines.py` +work directory and classifies the grid-size trajectory as `SETTLED`, +`NOT SETTLED`, or `TOO FEW OUTPUTS` (fewer than 4 profile snapshots, +not judgeable). Used to distinguish a healthy overshoot-then-plateau +grid history from the pre-errTol P2.4 failure signature (monotonic, +never-settling grid growth). + +`grid_settled(traj, tail_frac=0.25, tol_pts=None)` calls a trajectory +settled if the grid size varies by at most `tol_pts` over the last +`tail_frac` of outputs. `tol_pts=None` (the default) uses a *relative* +tolerance, `max(3, ceil(0.05 * median(tail)))`, rather than a fixed +point count: an earlier fixed `tol_pts=3` produced false `NOT SETTLED` +verdicts on 14/36 runs of the G6 errTol ladder once N grew into the +hundreds (an absolute point tolerance doesn't scale with N). Verified +against the ladder data: `strained`/`secondOrderLimited` rung 5 +(`build/test/convergence-work-errtol-final/strained_secondOrderLimited_rung5`, +tail spread 7 pts at tail-median N=218) now reports `SETTLED`, while the +old pre-errTol P2.4 failure case +(`build/test/convergence-work/strained_secondOrderLimited_rung5`, tail +spread 94 pts, monotonic growth to N=369) still correctly reports +`NOT SETTLED`. (A first attempt at a 1%-of-median coefficient, floated +as an example in the design addendum §A.5, was checked against this +same data and found to still round down to the old absolute floor of 3 +for the settled case — 5% was adopted instead, with margin above the +~3.2% the verified case needs and well below the ~32% relative spread +of the genuine failure case.) Pass an explicit numeric `tol_pts` to +restore the old fixed-tolerance behavior. + +### Task G7: baseline regression at errTol defaults + +With `errTol=1e-4` now the library default (previously the six curated +cases below all ran under `vtol=0.12`/`dvtol=0.2`), Task G7 reran the +Phase-1 curated case set at library defaults (no `--scheme` override, +i.e. whatever each stock example config already specifies — five of six +cases default to `secondOrderLimited`) and compared against the +Phase-1 `_secondOrderLimited` baselines. Outputs: +`test/convergence/results/baselines-errtol/` (this run's JSONs). + +``` +pixi run -- python test/convergence/run_baselines.py \ + --outdir test/convergence/results/baselines-errtol \ + --workdir build/test/baselines-work-errtol + +pixi run -- python test/convergence/compare_baselines.py \ + test/convergence/baselines-phase1/_secondOrderLimited.json \ + test/convergence/results/baselines-errtol/.json \ + --threshold 1.0 # compare_baselines' pass/fail gate isn't + # calibrated for this cross-default comparison; + # read the printed deltas directly instead +``` + +**Result: 5/6 cases regress cleanly; `example_single` fails to complete +at the new default.** + +| Case | peak_T rel. diff | consumption_speed rel. diff | N (phase-1 -> errTol default) | +|---|---|---|---| +| example_cylindrical_inward | 6.07e-5 | 1.24e-3 | 146 -> 170 | +| example_cylindrical_outward | 1.91e-5 | 7.50e-4 | 125 -> 154 | +| example_diffusion | 2.50e-5 | n/a (null, near-equal boundary temperatures) | 185 -> 212 | +| example_laminarFlameSpeed | 5.68e-4 | 5.56e-4 | 158 -> 183 | +| example_twin | 5.00e-6 | 5.62e-5 | 154 -> 169 | +| example_single | **did not complete** (`CVODE Integrator had too many errors`, deterministic, see below) | | 194 -> (n/a) | + +All five completing cases pass the amended spec §4 scalar criterion with +wide margin (worst delta 5.68e-4, i.e. 0.057%, well under the 0.5% +threshold). **However, `N` grew for every one of the five** (+10% to ++23%), which the spec §4 "same or fewer" clause does not license — see +the ledger close-out entry for the open question this raises about the +`errTol=1e-4` default (already pending owner sign-off from G5/G6 for +other reasons). + +**`example_single` regression:** the stock config (`nThreads=4`, +`disc` geometry, cold-inert counterflow) raised +`CVODE Integrator had too many errors` on all 6 attempts (`--retries 6`), +including with `nThreads=1` (rules out the previously-documented +thread-scheduling flake — this is deterministic). Bisecting `errTol` +directly on this case (`nThreads=1`, otherwise stock config): `errTol=5e-4` +and `errTol=2e-4` both complete cleanly (N=152, N=197); `errTol=1e-4` +(the library default) fails every time. This case was not part of the +G1-G6 three-case (`strained`/`twin`/`cylindrical`) ladder study, so this +robustness gap at the exact default value was not previously exercised. +Per instruction, the default was **not** retuned to paper over this — it +is recorded here as a finding for owner review alongside the other +`errTol=1e-4` default questions. diff --git a/test/convergence/analyze_settling.py b/test/convergence/analyze_settling.py index cd79d83..4f2e560 100644 --- a/test/convergence/analyze_settling.py +++ b/test/convergence/analyze_settling.py @@ -11,6 +11,7 @@ import os import glob import math +from statistics import median import h5py @@ -24,17 +25,39 @@ def n_trajectory(case_dir): return traj -def grid_settled(traj, tail_frac=0.25, tol_pts=3): +def grid_settled(traj, tail_frac=0.25, tol_pts=None): """True if the trajectory ends in a plateau: N varies by <= tol_pts over the tail window (the last tail_frac of outputs, at least 3 samples). Fewer than 4 samples is not judgeable and returns False; callers should treat that case as "inspect the run log", not as a settling failure (main() reports it as TOO FEW OUTPUTS). + + ``tol_pts=None`` (the default) uses a tolerance relative to the tail's + median grid size, ``max(3, ceil(REL_TOL * median(tail)))``, rather than a + fixed absolute point count: an absolute tol_pts=3 falsely flags runs + with N in the hundreds as "not settled" even when they've plateaued + (observed on 14/36 runs of the errTol ladder at N > ~300; see spec + addendum §A.5). Pass an explicit numeric tol_pts to restore the old + fixed-tolerance behavior. + + REL_TOL=0.05 (5%), not the 1% first floated in §A.5's "e.g." aside: + verifying against the actual errTol-ladder data + (build/test/convergence-work-errtol-final/strained_secondOrderLimited_rung5, + tail spread 7 pts at tail-median N=218, i.e. ~3.2%) showed 1% still + under-tolerates (tol_pts would round to 3, same as the old absolute + floor). 5% clears that case with margin while staying far below the + ~32% relative spread of the genuine P2.4 monotonic-growth failure + (build/test/convergence-work/strained_secondOrderLimited_rung5, spread + 94 pts at tail-median N=291), so it still correctly reports that one as + NOT SETTLED. """ if len(traj) < 4: return False ntail = max(3, int(math.ceil(len(traj) * tail_frac))) tail = traj[-ntail:] + if tol_pts is None: + REL_TOL = 0.05 + tol_pts = max(3, math.ceil(REL_TOL * median(tail))) return max(tail) - min(tail) <= tol_pts diff --git a/test/convergence/results/baselines-errtol/example_cylindrical_inward.json b/test/convergence/results/baselines-errtol/example_cylindrical_inward.json new file mode 100644 index 0000000..00d6186 --- /dev/null +++ b/test/convergence/results/baselines-errtol/example_cylindrical_inward.json @@ -0,0 +1,1746 @@ +{ + "case": "example_cylindrical_inward", + "commit": "e3a1b8873f4a7ee56e6182c73e0026a7bd19df76-dirty", + "generated_at_utc": "2026-07-06T11:54:14.095381+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/baselines-work-errtol/ex_cylindrical_inward.log',\n outputDir='build/test/baselines-work-errtol/ex_cylindrical_inward'),\n General(fixedLeftLocation=True,\n flameGeometry='cylindrical',\n nThreads=4),\n 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2.0260278207639302e-19, + 3.283951208490388e-20, + 5.74936924684478e-48 + ] + } + }, + "attempts": 1 +} \ No newline at end of file diff --git a/test/convergence/results/baselines-errtol/example_diffusion.json b/test/convergence/results/baselines-errtol/example_diffusion.json new file mode 100644 index 0000000..3f69538 --- /dev/null +++ b/test/convergence/results/baselines-errtol/example_diffusion.json @@ -0,0 +1,2168 @@ +{ + "case": "example_diffusion", + "commit": "e3a1b8873f4a7ee56e6182c73e0026a7bd19df76-dirty", + "generated_at_utc": "2026-07-06T11:54:49.065184+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/baselines-work-errtol/ex_diffusion.log',\n outputDir='build/test/baselines-work-errtol/ex_diffusion'),\n General(nThreads=2),\n InitialCondition(Tfuel=600,\n Toxidizer=600,\n centerWidth=0.002,\n flameType='diffusion',\n fuel='CH4:1.0, N2:2.0',\n slopeWidth=0.001,\n xLeft=-0.004,\n xRight=0.004),\n StrainParameters(final=100,\n initial=100),\n Times(globalTimestep=1e-05,\n profileStepInterval=20),\n TerminationCondition(tEnd=0.01))\n", + "deviations_from_stock": [ + "Paths.outputDir/logFile redirected into scratch --outdir (no effect on physics)" + ], + "scheme": "secondOrderLimited", + "runtime_seconds": 25.43674325942993, + "final_time": 0.01000999999999976, + "grid_size": 212, + "total_convection_steps": 163615, + "scalars": { + "peak_T": 1986.190501172628, + "consumption_speed": null, + "heat_release_rate_integral": 184609.78282403864, + "flame_position": 0.0002888772627145088 + }, + "scalar_notes": { + "consumption_speed": "Not physically meaningful for this configuration: the domain boundary temperatures are nearly equal (T[0]=600.00 K, T[-1]=600.00 K), so the premixed consumption-speed formula Q/cp integral / (rho_u*(Tb-Tu)) has a near-zero denominator. Raw solver value (inf) discarded and replaced with null." + }, + "profiles": { + "x": [ + -0.007707380192321011, + -0.007555067920308493, + -0.0074027556482959755, + -0.007210094170234106, + -0.007088244352624092, + -0.006966394535014077, + -0.006812265352564581, + -0.0066581361701150855, + -0.006463176461939063, + -0.006339873115979467, + -0.00621656977001987, + -0.006060602003479052, + -0.005904634236938234, + -0.0057073488834028805, + -0.0055825746701702265, + -0.0054578004569375725, + -0.0052999721741092895, + -0.0051421438912810065, + -0.00494250515010876, + -0.004742866408936513, + -0.004616603782673886, + -0.00449034115641126, + -0.0043306301634734624, + -0.004170919170535666, + -0.004011208177597869, + -0.0038514971846600717, + -0.0037504870836499705, + -0.0036494769826398692, + -0.0035484668816297684, + -0.003447456780619667, + -0.00331968798626943, + -0.003191919191919192, + -0.0031111111111111114, + -0.0030303030303030303, + -0.0029494949494949492, + -0.0028686868686868686, 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fixedLeftLocation=True,\n nThreads=4),\n Grid(dvtol=0.15,\n gridMax=0.001,\n gridMin=5e-06,\n vtol=0.1),\n InitialCondition(equivalenceRatio=0.9,\n oxidizer='O2:1, N2:3.76',\n xLeft=0.0,\n xRight=0.01),\n StrainParameters(final=0,\n initial=0),\n PositionControl(proportionalGain=2000,\n xFinal=0.005,\n xInitial=0.005),\n Times(profileStepInterval=50),\n TerminationCondition(tolerance=1e-05))\n", + "deviations_from_stock": [ + "Paths.outputDir/logFile redirected into scratch --outdir (no effect on physics)", + "Note (inherited from stock example, not introduced here): conf.validate() prints \"PositionControl can only be used when either 'twinFlame' or 'cylindricalFlame' is set to True. Validation failed.\" This example configures PositionControl on a planar, non-twin flame; the stock example script has this same validation warning and still runs it. Non-fatal; run proceeds." + ], + "scheme": "secondOrderLimited", + "runtime_seconds": 20.11384129524231, + "final_time": 0.0058000000000000135, + "grid_size": 183, + "total_convection_steps": 673967, + "scalars": { + "peak_T": 2135.231922740201, + "consumption_speed": 0.310060574660411, + "heat_release_rate_integral": 913505.9772236925, + "flame_position": 0.004991782313354438 + }, + "scalar_notes": {}, + "profiles": { + "x": [ + 0.0, + 0.0008080808080808081, + 0.0016161616161616162, + 0.00202020202020202, + 0.0024242424242424242, + 0.0026262626262626263, + 0.0028282828282828283, + 0.0030303030303030303, + 0.0031313131313131315, + 0.0032323232323232323, + 0.003333333333333333, + 0.0034343434343434343, + 0.0035353535353535356, + 0.0036363636363636364, + 0.0036868686868686868, + 0.003737373737373737, + 0.003787878787878788, + 0.0038383838383838384, + 0.0038888888888888888, + 0.003914141414141414, + 0.00393939393939394, + 0.003964646464646464, + 0.00398989898989899, + 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newline at end of file diff --git a/test/convergence/results/baselines-errtol/example_twin.json b/test/convergence/results/baselines-errtol/example_twin.json new file mode 100644 index 0000000..796c74a --- /dev/null +++ b/test/convergence/results/baselines-errtol/example_twin.json @@ -0,0 +1,1736 @@ +{ + "case": "example_twin", + "commit": "e3a1b8873f4a7ee56e6182c73e0026a7bd19df76-dirty", + "generated_at_utc": "2026-07-06T12:09:47.982915+00:00", + "config_summary": "conf = Config(\n Paths(logFile='build/test/baselines-work-errtol/ex_twin.log',\n outputDir='build/test/baselines-work-errtol/ex_twin'),\n General(nThreads=4,\n twinFlame=True,\n unburnedLeft=False),\n InitialCondition(equivalenceRatio=0.7,\n xLeft=0.0,\n xRight=0.01),\n StrainParameters(final=100,\n initial=100),\n TerminationCondition(tEnd=10))\n", + "deviations_from_stock": [ + "Paths.outputDir/logFile redirected into scratch --outdir (no effect on physics)" + ], + "scheme": "secondOrderLimited", + "runtime_seconds": 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b/test/python/test_flame_configs.py index 73a0470..1ed4dc8 100644 --- a/test/python/test_flame_configs.py +++ b/test/python/test_flame_configs.py @@ -16,7 +16,7 @@ def setUp(self): oxidizer='O2:1.0, AR:4.0', equivalenceRatio=0.3), StrainParameters(initial=800, final=800), - Grid(errTol=3.3e-3), + Grid(errTol=1.2e-3), Times(regridStepInterval=10), TerminationCondition(tEnd=0.01, measurement=None)) @@ -54,7 +54,7 @@ def setUp(self): equivalenceRatio=0.3), General(nThreads=1, twinFlame=True, unburnedLeft=False), StrainParameters(initial=800, final=800), - Grid(errTol=3.3e-3), + Grid(errTol=1.2e-3), Times(regridStepInterval=10), TerminationCondition(tEnd=0.01, measurement=None)) @@ -96,7 +96,7 @@ def setUp(self): fuel='H2:1.0, AR:1.0', oxidizer='O2:1.0, AR:4.0'), StrainParameters(initial=400, final=400), - Grid(errTol=3.3e-3), + Grid(errTol=1.2e-3), Times(regridStepInterval=10), TerminationCondition(tEnd=0.01, measurement=None)) From 3d8e7ff95f51b4e2d16c076cadf2c83f4620af1f Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Mon, 6 Jul 2026 08:39:12 -0400 Subject: [PATCH 36/37] convection: [final-review] narrative correction + harness/docs/UX fixes MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Ten pre-presentation fixes from the final whole-branch review: 1. run_baselines.py: drop dead vtol/dvtol kwargs from the laminarFlameSpeed case (G7 baseline actually ran at default errTol=1e-4); note that intent. 2. smoke_continuity_bc.py: replace inert Grid(vtol=0.2, dvtol=0.3) with Grid(errTol=1.2e-3) to match the TestPremixedStrained tolerance it derives from. 3. Correct the dampVal narrative: final review confirmed (via git show 5d4febe:src/grid.cpp) that base addPoint/removePoint already maintained dampVal, so updateValues()'s resize was always a same-size no-op and no uninitialized read existed. Rewrote the grid.cpp comment and the design doc to retract the "pre-existing bug" diagnosis and describe dampLocal as defensive hardening; appended a local progress-ledger note. 4. input.py: qualify the errTol docstring and deprecation-warning text — accuracy parity is PARTIAL (strained cases run 2.7-5.4x above the 2x band), so both now note that highly strained flames may need a tighter errTol under firstOrderUpwind. 5. input.py: errTol option now enforces min=1e-12 instead of min=0, so it can no longer degenerate to refine-everywhere. 6. input.py: run('force') and runESR bypass validate(); route _warnDeprecated() through evaluate() (the common config->solver-options path) with a _deprecationWarned guard so it fires exactly once. 7. test_gridAdaptation.cpp: new test pinning setOptions()'s convectionScheme -> (errorOrder, errCoeff) mapping (1/0.125, 2/0.0139). 8. grid.cpp adapt(): assert dampVal.rows() == nPoints alongside the existing positivity assert, making the caller contract explicit. 9. grid.cpp: removal-loop damping debug log now prints the actual threshold used in the comparison (rmTol*dampConst*dampLocal[j]). 10. example_laminarFlameSpeed.py: comment noting errTol=5e-4 is the docstring's "minimal accuracy" tier, chosen to preserve historical resolution/runtime. Co-Authored-By: Claude Fable 5 Claude-Session: https://claude.ai/code/session_01PpMZDeJn1DXH5NshhtCDqq --- ...7-05-error-based-grid-adaptation-design.md | 29 +++++++++++++++++- .../examples/example_laminarFlameSpeed.py | 3 ++ python/ember/input.py | 24 ++++++++++----- src/grid.cpp | 14 +++++---- test/convergence/run_baselines.py | 5 +++- test/convergence/smoke_continuity_bc.py | 2 +- test/test_gridAdaptation.cpp | 30 +++++++++++++++++++ 7 files changed, 91 insertions(+), 16 deletions(-) diff --git a/docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md b/docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md index 43c6fce..ea8eebc 100644 --- a/docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md +++ b/docs/superpowers/specs/2026-07-05-error-based-grid-adaptation-design.md @@ -14,7 +14,15 @@ standard degree-p interpolation-error bound and strengthens the fixed-point argument. (2) A minimal fix for a pre-existing bug is in scope: `adapt()`'s damping criterion reads `dampVal` after `updateValues()` resizes it (Eigen resize does not preserve contents), -i.e. uninitialized values once a point has been inserted. (3) The +i.e. uninitialized values once a point has been inserted. +**RETRACTED 2026-07-06 (final whole-branch review):** this diagnosis +was wrong — `addPoint()`/`removePoint()` already maintained the +`dampVal` member in lockstep with the grid (spline-interpolated insert +/ erase respectively; see `git show 5d4febe:src/grid.cpp`), so +`updateValues()`'s resize was always same-size (a documented Eigen +no-op) and no uninitialized read ever occurred. The shipped +`dampLocal` working copy (§2) is defensive hardening, not a bug fix; +see the retraction note in §2 for what it actually changes. (3) The regression criterion is restated in accuracy-envelope terms (the ~1e-6 reproducibility floor only applies to identical configurations, which a default-tolerance change is not). @@ -129,6 +137,25 @@ are inserted/removed, because `updateValues()` resizes `dampVal` without preserving its contents, leaving the damping criterion reading uninitialized values mid-pass once the grid has changed. +**RETRACTED 2026-07-06 (final whole-branch review):** the +"pre-existing bug" diagnosis above is incorrect and is retracted. +Base-revision `addPoint()`/`removePoint()` already kept the `dampVal` +member consistent with the grid (spline-interpolated insert on add, +matching erase on remove — confirmed against `git show +5d4febe:src/grid.cpp`), so `updateValues()`'s resize inside `adapt()` +was always a same-size, contents-preserving no-op; no uninitialized +read ever existed. The shipped `dampLocal` working copy is instead +defensive hardening: it makes the dampVal-grid consistency invariant +explicit and self-contained within the adapt pass, rather than +relying on `addPoint`/`removePoint` to maintain the member correctly +as a side effect, and it is written back to `dampVal` at the end of +the pass. It is behaviorally near-identical to relying on the member +directly — the only difference is that a point inserted mid-pass gets +its `dampLocal` value as the mean of its neighbors, versus the +spline-interpolated value the member array would have received — and +`dampVal` is recomputed from the physics before every `adapt()` call +regardless. + ## 3. Config surface and plumbing - **New key `grid.errTol`** — the single range-normalized local-error diff --git a/python/ember/examples/example_laminarFlameSpeed.py b/python/ember/examples/example_laminarFlameSpeed.py index 20f8552..e3969d7 100644 --- a/python/ember/examples/example_laminarFlameSpeed.py +++ b/python/ember/examples/example_laminarFlameSpeed.py @@ -23,6 +23,9 @@ General(fixedLeftLocation=True, fixedBurnedVal=False, nThreads=4), + # errTol=5e-4 is the docstring's "minimal accuracy" tier, chosen to + # preserve this example's historical resolution/runtime (the library + # default errTol=1e-4 is finer). Grid(errTol=5e-4, gridMin=5e-6, gridMax=0.001), PositionControl(proportionalGain=2000, xInitial=0.005, xFinal=0.005), TerminationCondition(tolerance=1e-5), diff --git a/python/ember/input.py b/python/ember/input.py index 11a043a..75c96e2 100644 --- a/python/ember/input.py +++ b/python/ember/input.py @@ -399,12 +399,14 @@ class Grid(Options): #: kept below ``errTol`` times that component's range, using an error #: estimate that accounts for the order of the selected #: ``general.convectionScheme``. The same value yields similar solution - #: accuracy under either scheme; the higher-order scheme needs fewer - #: grid points. On the calibration study cases the default gives - #: consumption-speed errors of a few parts in 10^4 with grids of + #: accuracy under either scheme for the validation cases (highly strained + #: flames may need a few-times tighter ``errTol`` under + #: ``firstOrderUpwind`` for matched accuracy); the higher-order scheme + #: needs fewer grid points. On the calibration study cases the default + #: gives consumption-speed errors of a few parts in 10^4 with grids of #: roughly 100-170 points. For high accuracy, ``errTol = 2e-5``; for #: minimal accuracy, ``errTol = 5e-4``. - errTol = FloatOption(1e-4, min=0) + errTol = FloatOption(1e-4, min=1e-12) #: Deprecated and ignored. Grid resolution is controlled by #: :attr:`errTol`. @@ -927,9 +929,6 @@ def __init__(self, *args): self.terminationCondition = get(TerminationCondition) self.extinction = get(Extinction) - def evaluate(self): - return ConcreteConfig(self) - def __iter__(self): for item in self.__dict__.values(): if isinstance(item, Options): @@ -945,17 +944,26 @@ def stringify(self): return 'conf = Config(\n' + ',\n'.join(ans) + ')\n' def _warnDeprecated(self): + if getattr(self, '_deprecationWarned', False): + return + self._deprecationWarned = True if self.grid.vtol.isSet or self.grid.dvtol.isSet: print("WARNING: 'grid.vtol' and 'grid.dvtol' are deprecated and have" " no effect.\n" " Grid resolution is now controlled by the local-error" " tolerance 'grid.errTol';\n" " the same errTol gives similar accuracy for either" - " convection scheme.") + " convection scheme (for strongly strained flames the" + " first-order scheme may need a tighter errTol for matched" + " accuracy).") if self.grid.errTol.value is not None and self.grid.errTol.value > 0.5: print("WARNING: 'grid.errTol' > 0.5 effectively disables grid" " refinement.") + def evaluate(self): + self._warnDeprecated() + return ConcreteConfig(self) + def validate(self): self._warnDeprecated() error = False diff --git a/src/grid.cpp b/src/grid.cpp index c9ab49c..c5b8e88 100644 --- a/src/grid.cpp +++ b/src/grid.cpp @@ -130,12 +130,16 @@ void OneDimGrid::adapt(vector& y) nVars = y.size(); assert(nAdapt <= nVars); assert((dampVal > 0).all()); + assert(dampVal.rows() == (dvec::Index) nPoints); setSize(y[0].size()); - // Working copy of dampVal kept consistent with the changing grid. - // updateValues() resizes dampVal without preserving its contents, so - // the member cannot be read safely once a point has been added or - // removed within this pass. + // Defensive localization: addPoint()/removePoint() already keep the + // dampVal member consistent with the grid (spline-interpolated insert / + // erase), so this working copy is not fixing a bug. It exists to make + // the dampVal-grid consistency invariant explicit and self-contained + // within this pass, rather than relying on addPoint/removePoint to + // maintain the member array correctly as a side effect. Written back to + // dampVal at the end of the pass. dvector dampLocal(dampVal.data(), dampVal.data() + nPoints); // Used for informational purposes only @@ -313,7 +317,7 @@ void OneDimGrid::adapt(vector& y) logFile.write(format( "Adapt: no removal - damping criterion. j = %i;" " hh(j)+hh(j-1) = %g > %g") % - j % (hh[j]+hh[j-1]) % (dampConst*dampLocal[j])); + j % (hh[j]+hh[j-1]) % (rmTol*dampConst*dampLocal[j])); } remove = false; } diff --git a/test/convergence/run_baselines.py b/test/convergence/run_baselines.py index f7af0c5..cb06051 100644 --- a/test/convergence/run_baselines.py +++ b/test/convergence/run_baselines.py @@ -183,7 +183,10 @@ def case_laminar_flame_speed(work_dir): xRight=0.01), StrainParameters(initial=0, final=0), General(fixedLeftLocation=True, fixedBurnedVal=False, nThreads=4), - Grid(vtol=0.1, dvtol=0.15, gridMin=5e-6, gridMax=0.001), + # vtol/dvtol removed (inert/deprecated); baselines intentionally run + # at the library-default errTol=1e-4 (the stock example itself sets + # errTol=5e-4). + Grid(gridMin=5e-6, gridMax=0.001), PositionControl(proportionalGain=2000, xInitial=0.005, xFinal=0.005), TerminationCondition(tolerance=1e-5), Times(profileStepInterval=50)) diff --git a/test/convergence/smoke_continuity_bc.py b/test/convergence/smoke_continuity_bc.py index 95ed735..3c99d61 100644 --- a/test/convergence/smoke_continuity_bc.py +++ b/test/convergence/smoke_continuity_bc.py @@ -66,7 +66,7 @@ def build_config(continuity_bc, scheme): oxidizer='O2:1.0, AR:4.0', equivalenceRatio=0.3), StrainParameters(initial=800, final=800), - Grid(vtol=0.2, dvtol=0.3), + Grid(errTol=1.2e-3), Times(regridStepInterval=10), TerminationCondition(tEnd=0.006, measurement=None)) return conf diff --git a/test/test_gridAdaptation.cpp b/test/test_gridAdaptation.cpp index a0456b9..0970b24 100644 --- a/test/test_gridAdaptation.cpp +++ b/test/test_gridAdaptation.cpp @@ -1,5 +1,6 @@ #include "../src/grid.h" #include "../src/mathUtils.h" +#include "../src/readConfig.h" #include "gtest/gtest.h" #include @@ -245,3 +246,32 @@ TEST(GridAdaptation, DampValRespectedWhileGridChanges) } } } + +//! Pins the scheme -> (errorOrder, errCoeff) mapping that setOptions() +//! establishes (grid.cpp), so a future refactor or recalibration accidentally +//! changing these literals is caught here rather than only surfacing as a +//! convergence-study regression. +TEST(GridAdaptation, SetOptionsMapsConvectionSchemeToErrorModel) +{ + ConfigOptions opts; + opts.errTol = 1e-4; + opts.rmTol = 0.6; + opts.dampConst = 7; + opts.gridMin = 5e-7; + opts.gridMax = 2e-4; + opts.uniformityTol = 2.5; + opts.absvtol = 1e-8; + opts.centerGridMin = 1e-7; + + opts.convectionScheme = "firstOrderUpwind"; + OneDimGrid gridFOU; + gridFOU.setOptions(opts); + EXPECT_EQ(gridFOU.errorOrder, 1); + EXPECT_DOUBLE_EQ(gridFOU.errCoeff, 0.125); + + opts.convectionScheme = "secondOrderLimited"; + OneDimGrid gridSOL; + gridSOL.setOptions(opts); + EXPECT_EQ(gridSOL.errorOrder, 2); + EXPECT_DOUBLE_EQ(gridSOL.errCoeff, 0.0139); +} From e8f9fdd3f1ff2c5b0aa21587b68a0aff28cd4522 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Mon, 6 Jul 2026 08:43:14 -0400 Subject: [PATCH 37/37] =?UTF-8?q?convection:=20[final-review]=20re-review?= =?UTF-8?q?=20nits=20=E2=80=94=20assert=20after=20setSize;=20fully=20initi?= =?UTF-8?q?alize=20ConfigOptions=20in=20mapping=20test?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Co-Authored-By: Claude Fable 5 --- src/grid.cpp | 2 +- test/test_gridAdaptation.cpp | 13 +++++++++++++ 2 files changed, 14 insertions(+), 1 deletion(-) diff --git a/src/grid.cpp b/src/grid.cpp index c5b8e88..1a784fa 100644 --- a/src/grid.cpp +++ b/src/grid.cpp @@ -130,8 +130,8 @@ void OneDimGrid::adapt(vector& y) nVars = y.size(); assert(nAdapt <= nVars); assert((dampVal > 0).all()); - assert(dampVal.rows() == (dvec::Index) nPoints); setSize(y[0].size()); + assert(dampVal.rows() == (dvec::Index) nPoints); // Defensive localization: addPoint()/removePoint() already keep the // dampVal member consistent with the grid (spline-interpolated insert / diff --git a/test/test_gridAdaptation.cpp b/test/test_gridAdaptation.cpp index 0970b24..b8750fb 100644 --- a/test/test_gridAdaptation.cpp +++ b/test/test_gridAdaptation.cpp @@ -254,6 +254,19 @@ TEST(GridAdaptation, DampValRespectedWhileGridChanges) TEST(GridAdaptation, SetOptionsMapsConvectionSchemeToErrorModel) { ConfigOptions opts; + // Set every field setOptions() reads: ConfigOptions' default constructor + // leaves POD members indeterminate, and copying them (even into members + // this test never checks) is UB a sanitizer build would flag. + opts.fixedBurnedVal = false; + opts.unburnedLeft = false; + opts.fixedLeftLoc = false; + opts.twinFlame = false; + opts.cylindricalFlame = false; + opts.discFlame = false; + opts.boundaryTol = 5e-5; + opts.boundaryTolRm = 1e-5; + opts.unstrainedDownstreamWidth = 5; + opts.addPointCount = 3; opts.errTol = 1e-4; opts.rmTol = 0.6; opts.dampConst = 7;