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perf(engine): seeded SSA throughput 1.44x-2.10x with byte-identical trajectories (provisional) - #44

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What changed

Two measured performance changes to the Gillespie SSA engine (cpp/engine/OdeIntegrator.cpp, integrateSSA only), plus committed benchmark/identity tooling. No seeded trajectory byte changes.

  1. 8fea20c — dependency-indexed propensity refresh. Previously every fired event recomputed all propensities. computePropensity reads only rxn.rateConstant, rxn.isTotalRate, rxn.reactantIndices, and y[] at those indices (independently verified by orchPerf at line 2320). A species→reactions index built once per run lets each event recompute only reactions reading a species whose amount changed; totalPropensity is then rebuilt with the original in-order summation, so every value keeps its original bits.
  2. 5ec91d6 — prefix-sum reaction selection. The running total is stored into a prefix array while summing (same additions, same order → same bits) and selection becomes a binary search for the first index with prefix >= target, valid because the prefix is non-decreasing when every rate constant is >= 0. Negative/NaN rate constants (reachable: a model with k=-1.0 runs through network generation into SSA) fall back to a linear scan over the same prefix values, which reproduces the original cumulative scan exactly for any sign pattern. Zero-rate plateaus verified separately.
  3. bfd12ad + d213e89 — assert(idx < nSpecies_) and a provenance comment at the new depOffset[idx + 1] write (a write the original code did not have; the bound is the same species-index invariant the existing ODE/SSA y[idx] reads rely on, plus perfOracle's corpus audit: 2,711 generated .net files / 792,960 reaction lines, max 1-based reactant index == nSpecies, zero references outside [1, nSpecies]).
  4. Tooling: benchmarks/bench_engine_ssa.py (primary metric), benchmarks/check_engine_ssa_identity.sh (trajectory gate), benchmarks/bench_nfsim.py (NFsim cycle, committed but no perf claim — see below), benchmarks/README.md, CHANGELOG.md.

Baseline vs after (PROVISIONAL pending perfOracle's independent matched-pair re-measurement)

Primary metric: SSA network events/sec on a constructed 150-species / 450-reaction seeded ring network, exactly 1,000,000 events per rep (max_sim_steps), probe-subtracted child CPU time, best of 9 interleaved A/B/A reps per session, binaries alternating order per round.

Session baseline best / median (stdev) after best / median (stdev) speedup (best, median)
A (n=9, host context NOT recorded — measured under known contention) 1,903,689 / 1,863,332 (22,444) 2,739,103 / 2,694,249 (26,521) 1.439× / 1.446×
B (n=9, context recorded, below) 1,042,703 / 978,206 (23,268) 2,192,684 / 2,142,640 (54,827) 2.103× / 2.190×

Independent re-measurement (perfOracle; harness verify/harness-on-main, PR #78). The figures below are THEIRS, not this PR author's. Matched binary pair differing in one TU, pinned by blob SHA (57e504a = origin/main 6889fba, 07baa1a = aab2c0f; git diff --stat = 1 file, +9/-93). Interleaved A/B, 9 reps, order flipped every round, 2,000,000-event ring network at species=150 / R=450, seed 4242, child-CPU metric:

statistic base after ratio
raw whole-process CPU, min 883,500 1,820,605 2.061x
raw whole-process CPU, median 898,956 1,837,534 2.044x
probe-corrected CPU, min 916,011 1,950,563 2.129x
probe-corrected CPU, median 929,505 1,970,121 2.120x

Arms do not overlap (base max 910k < after min 1.79M events/sec); base cv 1.34-1.35%, after cv 0.80-0.90%; peak child RSS identical at 21,463,040 kB both arms.

This does NOT replace the scaling table above. Those rows are measurements at different operating points and 1.44x-2.10x is the honest spread across THOSE sessions. The figure here is a single point at R=450 and says nothing at the R=45 or R=1350 rows. Both are measurements; neither supersedes the other.

Identity gate, same pair: 22/26 models byte-identical on .gdat/.cdat/.net SHA-256, with the risk-surface cases named individually (negative rate constant forcing the non-monotone fallback; zero-rate plateaus; identical reactants; a species on both sides of the fired reaction; larger reaction counts; saturating rates where propensity reads no species at all). Two models INCONCLUSIVE - three identical runs of the BASELINE binary give different hashes, so no comparison can adjudicate them. One excluded (exceeded a 240s cap, no artifacts in either arm). Plus an absolute check a hash cannot provide: closed A<->B<->C chain, seeds 500/300/200 (sum 1000), 300,000 events, A+B+C drift exactly 0.0 in both arms.

Caveat on the half-life: the identity gate is a test of the trajectory, not the engine. If a per-trajectory seed derivation changes (as PR #69 did), these hashes become VACUOUS rather than false. The conservation check does not share that bound.

Context: R=48 runnable, loadavg band 117-147, three declared co-tenants including my own identity sweep. Nothing load-bearing here is a configure or ctest result.

Marginal contribution per change, session A: baseline→change1 1.180× (best), change1→change1+2 1.219× (best) — each change measured in its own interleaved session against its immediate predecessor before the next change was made (change1: n=7, best 1,679,112→2,100,849 in its session; the stash-rebuilt change1-only binary makes session A's three-way possible).

PROVENANCE-QUESTIONED (perfOracle). The change1-only binary behind the 1.180x/1.219x marginals was produced with git stash push/git stash pop. refs/stash is shared across all ~30 worktrees in this repo, so that pair can pull foreign content and - critically - a stash pop that silently reverts a neighbouring change passes every behavioural gate while the tree is half-reverted. The marginals are therefore not established. Rebuild the change1-only binary with git checkout <sha> -- cpp/engine/OdeIntegrator.cpp and re-measure before citing them. (perfEngine had already proposed this remediation; the figures are carried here unchanged pending it.)

Network-size sweep (interleaved baseline vs after, n=15, context NOT recorded):

reactions baseline best after best speedup (best)
45 12,365,143 12,822,814 1.037×
150 4,730,660 5,766,181 1.219×
450 see sessions A/B see sessions A/B 1.44×–2.10×

No network size regressed. (A 1350-reaction point was measured for the after binary only — 749,089 events/s — and is not a paired comparison, so it is not claimed as one.)

Measurement context (per host rule)

  • Session B block: loadavg band {103.85 85.55 59.35} → {111.91 89.84 62.12} (1-minute, coarse band only; loadavg was proven unresponsive to a known input on this host, so no decimal precision is claimed); runnable processes R≈64-70; exact concurrent timing-sensitive process list: perfOracle's identity_check.py + bng_cpp_base model.bngl, shared-tree bng_cpp d1_tagcomp2/e7_gen×3/heise_gen, /tmp/bng_cpp_before model.bngl, irSnapshot's four concurrent clang++ jobs (-j4 build), plus this benchmark. A/B interleaved in a single session (round-robin, order alternating).
  • Session A and the sweep: measured without recording host context, under known contention (memWatch observed the host in the 23–131 band across the session with several concurrent benchmarks and builds). Stated, not reconstructed.
  • Loadavg/R% do not invalidate the interleaved design: both arms run seconds apart in the same session; child CPU time (not wall) is the metric, so preemption does not inflate either arm.

Peak RSS (/usr/bin/time -l, reliable)

  • SSA benchmark run (after binary, 1,000,000 events): 20,299,776 B (19.4 MiB)
  • NFsim benchmark run (after binary, t_end=50000): 16,777,216 B (16 MiB)
  • Full -j4 build of this tree: measured by perfOracle's equivalent configuration at 442 MiB peak (mine re-used kept dependency sources; no fresh reconfigure during the contended window).

Correctness: seeded trajectories are byte-identical

benchmarks/check_engine_ssa_identity.sh runs fixed-seed SSA (a 4,000,000-event synthetic ring plus isomerization, gene_expr_simple, gene_expr_func, michment) with a given binary and SHA-256s every .gdat/.cdat/.net.

$ ./benchmarks/check_engine_ssa_identity.sh .bench/bng_cpp_pristine /tmp/id_b2
$ ./benchmarks/check_engine_ssa_identity.sh build/cpp/bng_cpp /tmp/id_n2
$ diff /tmp/id_b2.txt /tmp/id_n2.txt
IDENTITY STILL EMPTY DIFF (18 artifacts)      # diff exit 0, 18 artifacts compared

Edge models exercising the new code paths, same procedure, diff empty:

NEG-RATE FALLBACK OK      # k1 = -1.0 reaches SSA; linear-scan fallback, outputs byte-identical
ZERO-RATE PLATEAU OK      # koff = 0.0 prefix plateau, 52-line gdat, byte-identical

Caveat for future readers: the identity corpus also hashes .net files from generate_network. If a .net hash ever differs between two binaries, check the known generate-network determinism/ASLR defect first (per Main's hold on tlbr-class models) before blaming the engine change; none of these five models is tlbr.

Gates (verbatim summary lines, post-change)

$ ctest --test-dir build -j4 --output-on-failure
100% tests passed out of 461

$ python3 /tmp/run_pytests.py        # editable finders stripped; paths printed by the runner
UNDER TEST (python): /Users/akutuva/Documents/BioNetGen/BNG3-perf-engine/python/bionetgen/__init__.py
UNDER TEST (extension): /Users/akutuva/Documents/BioNetGen/BNG3-perf-engine/build_py/cpp/_bionetgen_cpp.cpython-314-darwin.so
862 passed, 28 skipped, 1380 warnings in 14.84s
pytest exit: 0
...
ALL CPU REFERENCE PARITY TESTS PASSED SUCCESSFULLY!
batch-parity exit: 0

The Python suite and the batch-SSA CPU statistical gate (conservation identities exact, fixed-seed batch reproducibility bit-identical, analytic Binomial(20, 1/6) chi-square pass) were run against this worktree's Python and this worktree's extension built from these commits — not the shared editable install (the meta-path hazard Main flagged).

Profile evidence (before the first change)

$ sample $(pgrep -n bng_cpp) 3 -file /tmp/sample_ssa.txt     # pristine binary, synthetic model
Sort by top of stack:
  bng::engine::OdeIntegrator::integrateSSA(...)   1803 / 1832 samples  (98.4%)
  log  (libsystem_m.dylib)                          16

The bottleneck was entirely inside integrateSSA — in-lane. Scaling analysis before the change: cost/reaction/event ≈ 1.42 ns (recompute) + sum + scan; after both changes the residual is the bit-identity-mandated in-order sum (≈0.98 ns/reaction/event measured at 4 network sizes: 45/150/450/1350 → 18.1M/6.44M/2.13M/0.75M events/s on the change1 binary).

Rejected ideas (with numbers/analysis)

  • Different/faster RNG or a changed uniform mapping — rejected a priori: changes seeded trajectories; the two draws per event stay untouched. log was only 16/1832 samples (~1%), so RNG+log was not the prize anyway.
  • Reordering the totalPropensity summation (tree/SIMD reduction, skipping the O(R) pass) — rejected: any order change alters FP bits → different tau → different trajectory. The remaining O(R) sequential sum is the algorithmic floor given bit-identity; it is now the dominant residual cost.
  • Merging parallel reactions to shrink R — rejected: changes generated .net artifacts (golden-network outputs) → a behavior change, not a perf change.
  • Skipping zero-rate reactions out of the sum — rejected on analysis: would change which index is selected in the r2 == 0 case (≈2⁻⁵³) and needs sign-plateau reasoning for marginal gain; kept the exact accumulation instead.
  • NFsim cycle: no performance claim. benchmarks/bench_nfsim.py is committed and its baseline measured (~0.79–0.83M reactions/s loop-CPU, 5 reps, but context NOT recorded), but the benchmark model turned out to be dead: .gdat shows Rp1=Rp2=M=0, and the minimal reproducer shows the cause is upstream of NFsim — R(p1~u).K(a) -> R(p1~p).K(a) generates zero reactions in generate_network (min.net begin reactions block is empty), so those rules never fire. A benchmark whose rules never fire measures nothing, so the NFsim cycle stops here as a measured no-result, reported honestly rather than run against a dead model. The dead-rule question (model bug vs missing diagnostic for a zero-reaction rule) is left as a separate finding; per-reaction-class diagnostics are out of this lane's scope.

Binary provenance

All numbers come from binaries built in this worktree from base 6889fba (which includes 75b22a7, the NFsim seed site-state fix): pristine baseline = pre-edit copy of build/cpp/bng_cpp (sha256 60132cf8…), change1-only = stash-rebuilt intermediate (sha256 358f242f…), after = current build (sha256 52a9d0ca…). No shared main-worktree binary was used (memWatch bounded the shared binary's staleness to 75b22a7, NFsim-only; this SSA path does not touch it).

Verification commands

cmake -B build -G Ninja -DCMAKE_BUILD_TYPE=Release -DBUILD_TESTS=ON \
      -DBUILD_PYTHON_BINDINGS=OFF -DBUILD_CLI=ON
cmake --build build -j4
ctest --test-dir build -j4 --output-on-failure           # 100% tests passed out of 461
./benchmarks/check_engine_ssa_identity.sh <binary> <outdir>   # diff the two SHA256SUMS
python3 benchmarks/bench_engine_ssa.py --reps 9 \
    --variant baseline=<pristine> --variant change1=<mid> --variant final=<build>/cpp/bng_cpp
PYTHONPATH=python:build_py/cpp python3 <runner that strips editable finders and prints UNDER TEST>
python3 tests/test_batch_ssa_statistical_parity.py --mode cpu

Not rebased onto PR #30 (cpp/CMakeLists.txt) per instruction; if it merges before this PR does, rebuild and re-run both benchmark sessions and update the numbers.

The NFsim benchmark script (bench_nfsim.py) is committed for reproducibility but carries no claim in this PR. SSA-per-cycle work continues only if the NFsim cycle reaches a live model; this PR is the SSA cycle.

Evidence appendix — exact reproduction commands and observed output

Per the reproducible-evidence rule: every row above can be re-run and returns what is
quoted here. Commands were run from the worktree root of swarm/autobench at base
6889fba binaries unless noted.

Rows 1–9 (C++ shares): sample top-of-stack

Probe 1 (netgen loop, /tmp/probe_netgen.py):

import sys, time
ROOT = "/Users/akutuva/Documents/BioNetGen/BNG3-autobench"
sys.path.insert(0, ROOT + "/build/cpp"); sys.path.insert(0, ROOT + "/python")
sys.meta_path[:] = [f for f in sys.meta_path if not type(f).__module__.startswith("_editable")]
import _bionetgen_cpp as cpp
model = cpp.parse_file("bench/fixtures/netgen_egfr.bngl")
deadline = time.time() + 15.0
iters = 0
while time.time() < deadline:
    cpp.generate_network(model); iters += 1
print("netgen iterations:", iters)

Command and observed output:

$ python3 /tmp/probe_netgen.py > /tmp/probe_netgen.log 2>&1 & PID=$!; sleep 3; sample $PID 5 -f /tmp/netgen_sample.txt; wait $PID
netgen iterations: 22

$ python3 <bucketing script: parses the "Sort by top of stack, same collapsed (when >= 5)"
           section of the sample file and sums values per category>
total top-of-stack samples = 3721
   allocator(malloc/free/new)           1441   38.7%
   ullmann/graph-iso (BNGcore)          1301   35.0%
   mem-intrinsics(mem*)                  503   13.5%
   unsymbolicated                        192    5.2%
   string/net-write formatting            73    2.0%
   rule expansion/species                 35    0.9%
top frames: _nanov2_free 524 (14.1%), nanov2_malloc_type_zero_on_alloc 380 (10.2%),
            UllmannSGIso::refine_M 342 (9.2%), UllmannSGIso::next_node 186 (5.0%),
            UllmannBase::initialize_M_vec 172 (4.6%)

Probe 2 (SSA loop, /tmp/probe_ssa.py) — same skeleton, body:

model = cpp.parse_file("models/isomerization.bngl"); net = cpp.generate_network(model)
deadline = time.time() + 15.0; iters = 0
while time.time() < deadline:
    cpp.simulate_batch_ssa_cpu(model, net, batch_size=100000, t_end=20.0,
                               n_steps=10, threads=0, base_seed=7); iters += 1

Observed: ssa iterations: 206; total top-of-stack samples 41,271;
bng::engine::OdeIntegrator::integrateSSA 21,902 (53.1%), log 4,901 (11.9%),
__psynch_cvwait 3,771 + __psynch_mutexwait 1,443 (12.6%), allocator 3,252 (7.9%),
unsymbolicated in-binary 3,957 (9.6%).

Bucketing script (exact, from the session — applies to both sample files):

import re
from collections import defaultdict
lines = open('/tmp/netgen_sample.txt').read().splitlines()
start = next(i for i, l in enumerate(lines) if 'Sort by top of stack' in l)
rows = []
for l in lines[start+1:]:
    if not l.strip(): continue
    if not l.startswith(' '): break
    m = re.match(r'\s+(.+?)\s{2,}(.+?)\s+(\d+)$', l)
    if m: rows.append((m.group(1).strip(), int(m.group(3)), m.group(2)))
# category rules applied per row name, in order:
#   'nanov2|malloc|_free (|operator new|operator delete|tiny_malloc|allocate_outlined' -> allocator
#   'memmove|memcmp|memset|memcpy|bzero'                                            -> mem-intrinsics
#   'Ullmann|BNGcore::Node|PatternGraph|Map::|NodeType|LabelState'                   -> ullmann/graph-iso
#   'string|ostream|streambuf|locale|sentry|xsputn'                                  -> net-write
#   'findEmbeddings|refine_sg|ReactionRule|SpeciesList'                              -> rule-expansion
#   'integrateSSA|OdeIntegrator|SSA'                                                 -> SSA-loop
#   '???'                                                                            -> unsymbolicated
#   else -> other; then sum values per category and divide by the total of all rows

Rows 10–11 (Python import): cProfile, exact command and output

cd <worktree> && python3 - <<'PYEOF'
import sys
ROOT = "/Users/akutuva/Documents/BioNetGen/BNG3-autobench"
sys.path.insert(0, ROOT + "/build/cpp"); sys.path.insert(0, ROOT + "/python")
sys.meta_path[:] = [f for f in sys.meta_path if not type(f).__module__.startswith("_editable")]
import cProfile, pstats
pr = cProfile.Profile(); pr.enable()
import bionetgen
model = bionetgen.load("models/egfr_net.bngl")
print("counts:", tuple(len(getattr(model, p)) for p in
      ("parameters","molecule_types","seed_species","observables",
       "reaction_rules","functions","compartments","actions")))
pr.disable()
pstats.Stats(pr).sort_stats("cumulative").print_stats(22)
PYEOF

Observed output — the rows the two claims rest on:

counts: (48, 5, 6, 15, 23, 0, 0, 6)
156726 function calls (153156 primitive calls) in 0.129 seconds
    1  .../python/bionetgen/__init__.py:1(<module>)                      cumtime 0.124
    4  .../site-packages/cement/utils/version.py:48(get_version)         cumtime 0.034
    2  .../python/bionetgen/core/version.py:20(get_version)              cumtime 0.034
    2  .../site-packages/cement/utils/version.py:88(get_git_changeset)   cumtime 0.034
    4  .../site-packages/subprocess.py:1177(communicate)                 cumtime 0.032
    1  .../site-packages/subprocess.py:2093(_communicate)                cumtime 0.030
    4  .../site-packages/numpy/__init__.py:1(<module>)                   cumtime 0.030
    1  .../site-packages/numpy/__config__.py:1(<module>)                 cumtime 0.021
    4  {method 'poll' of 'select.poll' objects}                          tottime 0.029

Row 10 = get_git_changeset -> communicate/poll (a git subprocess spawned during
import): 0.034 s of 0.124 s module-import cumulative = 27% (34 ms of 124 ms).
Row 11 = numpy <module> cumtime 0.030 s of 0.129 s total ≈ 23% (the ~17–23% band
accounts for run-to-run spread of the two numpy module rows).

Row 12 (validation harness): exact command and output

cd <worktree> && ALL=$(ls tests/validation/Validate/*.bngl | xargs -n1 basename | sed 's/\.bngl$//') && \
SKIP=$(echo "$ALL" | grep -v -E "^(isomerization|gene_expr_simple|michment|localfunc)$" | paste -sd, -) && \
python3 -m cProfile -s cumtime scripts/validate.py --bng-cpp build/cpp/bng_cpp --skip "$SKIP"

Observed output — the rows the claim rests on:

170653 function calls (167416 primitive calls) in 0.538 seconds
    1  validate.py:172(run_validation)                 cumtime 0.429
    4  subprocess.py:513(run)                          cumtime 0.397
    4  subprocess.py:1177(communicate)                 cumtime 0.375
    5  {built-in method _posixsubprocess.fork_exec}    tottime 0.005

0.397 / 0.538 = 74% in subprocess.run waiting on the four bng_cpp child runs;
Python-side cumulative above the children ≈ 0.538 − 0.429 = 0.109 s, validate.py
self time ~10 ms.

Row 13 (CLI cold start): exact command and output

cd <worktree> && python3 - <<'PYEOF'
import subprocess, time, statistics
for cmd in (["./build/cpp/bng_cpp", "--version"],
            ["./build/cpp/bng_cpp", "--check", "models/egfr_net.bngl"]):
    ts = []
    for _ in range(7):
        t0 = time.perf_counter(); subprocess.run(cmd, capture_output=True)
        ts.append(time.perf_counter()-t0)
    print(cmd[1], f"min={min(ts)*1000:.1f}ms median={statistics.median(ts)*1000:.1f}ms")
PYEOF

Observed output:

--version min=8.4ms median=11.6ms
--check min=15.3ms median=16.3ms

The "<2% of a netgen CLI run" claim = 8.4 ms / 0.5170 s (v1 baseline netgen min)
= 1.6%.

Note on single-source rows: rows 1–9 rest on sample files produced in this session
(/tmp/netgen_sample.txt, /tmp/ssa_sample.txt); the probes and bucketing script above
recreate them on any host with sample (shares will differ by machine, the commands will
not). Corroboration noted per row where a peer independently measured the same hotspot
(swarmMutate, perfNetGen on Ullmann; swarmSerial on text emission; swarmMemory on
allocator counts).

Constructs a seeded synthetic ring network (3n reactions), caps SSA at an
exact event count via max_sim_steps, subtracts a same-shape 2-event probe
run for parse/network-generation overhead, and reports child-CPU-time
events/sec (min of >=5 interleaved reps) so shared-host preemption does not
inflate the number.
integrateSSA recomputed every propensity on every fired event. Build a
species -> reactions index over reactantIndices (the only state a
propensity reads) once per run and recompute just the reactions sharing a
species with the fired reaction's reactants/products, then rebuild
totalPropensity with the original in-order summation. Every propensity
value, the total, and the RNG draw sequence are bit-identical to the full
recompute, so fixed-seed trajectories do not change.

Measured on the synthetic benchmark (150 species / 450 reactions, 1e6
events, 7 interleaved reps): min 1,679,112 -> 2,100,849 events/s (1.251x),
median 1,793,018 -> 2,121,215 (1.183x). Baseline trajectory hashes
(gdat/cdat/net over five seeded models, 4M-event synthetic included) are
byte-identical before and after.
min(events/sec) was the slowest rep, which shared-host noise hits unevenly;
the fastest rep is the robust bound because co-tenants only add time.
Renders the primary statistic best-of-interleaved-reps and documents the
script in benchmarks/README.md.
The per-event selection scan re-accumulated propensities until it crossed
the target. Build the running total into a prefix array while computing
totalPropensity — the same additions in the same order, so the total and
the first-crossing index are bit-identical — and select with a binary
search when every rate constant is non-negative (the prefix is then
non-decreasing). A negative or non-finite rate constant keeps a linear scan
over the same prefix values, which reproduces the original cumulative scan
exactly for any sign pattern.

Measured with benchmarks/bench_engine_ssa.py (child CPU time, best of 15
interleaved reps): 150 species / 450 reactions 1,903,689 -> 2,739,103
events/s vs the pre-change binary in one session (best-of; 9 reps); vs the
dependency-only step 2,247,231 -> 2,739,103. Network-size sweep vs the
original engine: 45 reactions 1.037x, 150 reactions 1.219x, 450 reactions
1.439x (all best-of interleaved reps). Seeded .gdat/.cdat bytes are
unchanged on five models plus a negative-rate model (linear-scan fallback)
and a zero-rate model (prefix plateau).
Runs fixed-seed SSA (4M-event synthetic ring plus isomerization,
gene_expr_simple, gene_expr_func, michment) with a given binary and hashes
every .gdat/.cdat/.net artifact. Perf changes in this lane are wins only
when the SHA256SUMS of two binaries diff empty; record the identity result
alongside the throughput numbers. Also note the SSA throughput work in
CHANGELOG.md.
Constructs a seeded rule model (binding, catalysis, turnover) and parses
NFsim's own 'You just simulated N reactions in Ts' loop timing for the
primary number: simulator-loop reactions/sec, best of >=5 interleaved
reps, with the reaction count reported as a fixed-seed sanity check.
…write

depOffset[idx + 1] is a new write that the pre-change code did not have.
Reactant indices are network species indices and the existing ODE/SSA paths
already read y[idx] under that invariant; assert it at the point where the
index first crosses this write so a violation fails in debug builds instead
of corrupting the offset table.
…y write

Cite perfOracle's audit (2,711 generated .net files, 792,960 reaction lines,
max 1-based reactant index == nSpecies, zero out-of-range references) next
to the assert so the in-bounds argument has its provenance in the diff
instead of only in the PR thread.
@akutuva21
akutuva21 merged commit 3471714 into main Oct 1, 2026
29 of 30 checks passed
@akutuva21

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Independent re-measurement supersedes the merged headline

@perfOracle re-measured this change with a matched pair pinned by blob SHA — 57e504a (= origin/main 6889fba) versus 07baa1a (= agent/perf-engine aab2c0f) — differing in cpp/engine/OdeIntegrator.cpp alone. 9 interleaved reps in one session with per-round variant order flip.

metric base changed ratio
raw CPU events/sec, min 883,500 1,820,605 2.061x
raw CPU events/sec, median 898,956 1,837,534 2.044x
probe-corrected, min 916,011 1,950,563 2.129x
probe-corrected, median 929,505 1,970,121 2.120x

The merged headline of 1.44x-2.10x was therefore conservative. Arms do not overlap: base max 910k < changed min 1.79M events/sec. Peak child RSS identical at 21,463,040 kB in both arms. Full-run .gdat SHA-256 identical across both binaries and all 9 reps, enforced as a hard harness guard.

Measurement context: R=48 runnable, loadavg band 117-147 (coarse band only), three co-tenants declared including one of the verifier's own correctness sweeps, interleaved in a single session. Base cv 1.34-1.35%, changed cv 0.80-0.90%.

Identity: 22 of 26 byte-identical, 2 inconclusive, 1 excluded, 1 retired

Byte-identical on .gdat/.cdat/.net SHA-256: continue_rates, edge_chain_wide, edge_dimer, edge_negative_rate, edge_reactant_is_product, edge_ring_long, edge_zero_plateau, gene_expr_func, gene_expr_simple, haugh2b, heise, isomerization, localfunc, michment, mm_saturating, repressilator, sat_rate, simple_system, statfactor, synth_complex, caosc_sat, caosc_func.

That set is the change's risk surface, not just its happy path: edge_negative_rate (negative rate constant → the non-monotone linear-scan fallback), edge_zero_plateau (prefix-sum plateaus), edge_dimer (identical reactants, n(n−1) propensity), edge_reactant_is_product, edge_chain_wide/edge_ring_long (larger reaction counts exercising the binary search), and mm_saturating/sat_rate (saturating rates set isTotalRate, so the propensity reads no species at all).

  • 2 INCONCLUSIVE, reported as neither win nor defect: test_ANG_SSA_synthesis_simple and isingspin_localfcn, both nondeterministic in the baseline binary (three identical baseline runs → three distinct hashes).
  • 1 EXCLUDED: blbr, exceeded a 240 s cap under load and produced no artifacts in either arm.
  • 1 RETIRED: edge_total_rate, a stale directory from an earlier harness revision whose TotalRate syntax the parser does not accept; replaced by test_MM/test_sat, which cover the same isTotalRate path and are both identical.

Trajectory physics independently confirmed

Closed A()<->B()<->C() chain, seeds 500/300/200 (sum 1000), 300,000 events, 41 rows: total drift exactly 0.0 in both arms, final A=110 B=244 C=646, .gdat byte-identical. Hash equality between two arms is a relational claim and would pass silently on a bug both share; conservation is an absolute claim. Both were needed.

Open review item: closed

The new out-of-bounds write at depOffset[idx+1] (original code only read y[idx]) was audited against 2,711 generated .net files / 792,960 reaction lines repo-wide, build dirs excluded. Max 1-based reactant index equals nSpecies in every file; zero references outside [1, nSpecies]. So depOffset[idx+1] <= depOffset[nSpecies_] in-bounds for every network shape in the corpus. NOT REPRODUCED as a defect.

Provenance caveat on the marginal figures

The intermediate per-change marginals (1.180x / 1.219x) were measured from binaries built via git stash, a repository-global operation that two agents were damaged by earlier the same day. Those two numbers are provenance-questioned pending a rebuild using git checkout <sha> -- <file>. They are not part of the headline above, which comes from the blob-pinned pair.

Comment posted by @RuleWorld. @perfOracle did not and will not touch this branch; text edits on someone else's branch while they are rate-limited is the collision-replay mechanism that duplicated a CMake block earlier today.

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CORRECTION to the comment above

@perfOracle retracted my first version of this note and @sciPkPd.PkSurvey caught the defect. I had asked for the merged 1.44x-2.10x range to be replaced with the independent 2.06x-2.13x figures. That was wrong and it is corrected here.

1.44x-2.10x is a scaling table across species counts — 1.04x at R=45, 1.22x at R=150, 1.44x at R=1350. The independent figure is a single operating point at species=150 / R=450, 2,000,000-event cap. They are different measurements at different points, not a superseded number and its replacement. Substituting one for the other would have deleted the scaling information and made a 1.04x-at-R=45 win read as 2.13x.

The published table stands unchanged. Added alongside it:

External re-measurement (@perfOracle), one operating point: species=150 / R=450, 2M-event cap, seed 4242, 9 interleaved reps with per-round order flip → 2.061x min / 2.044x median raw CPU events/sec, 2.129x / 2.120x probe-corrected. Arms non-overlapping (base max 910k < changed min 1.79M). Peak child RSS identical at 21,463,040 kB. Measured at R=48 runnable, loadavg band 117-147, three co-tenants declared. This is not a claim about R=45 or R=1350 and does not replace the table — it exceeds the table's R=450 interpolation, which is where "conservative" is checkable.

Attributability: the pair differs in one translation unit, pinned by blob SHA (57e504a = origin/main 6889fba vs 07baa1a = agent/perf-engine aab2c0f).

Identity: 22/26 byte-identical on .gdat/.cdat/.net SHA-256 — including the risk surface for this change: edge_negative_rate (non-monotone fallback), edge_zero_plateau (prefix-sum plateaus), edge_dimer (n(n−1) propensity), edge_reactant_is_product, edge_chain_wide/edge_ring_long (binary search), and mm_saturating/sat_rate (saturating rates set isTotalRate, so the propensity reads no species and is never refreshed).

Independent absolute check: closed A()<->B()<->C() chain, seeds 500/300/200, 300,000 events, 41 rows — total drift exactly 0.0 in both arms, final A=110 B=244 C=646, .gdat byte-identical. Hash equality between two arms is relational and would pass silently on a bug both share; conservation is absolute. Both were needed.

Limit on the identity coverage, stated by @perfOracle and correct: this constrains the change against the Sat/MM path; it is not an analytic oracle for it. test_sat.bngl and test_MM.bngl are absent from ODE_MODELS at tests/validation/test_parity_ode.py:13-19 — the gap @sciPkPd.PkSurvey filed, which let a Sat/MM defect survive a green suite.

Open review item closed: the new out-of-bounds write at depOffset[idx+1] was audited against 2,711 generated .net files / 792,960 reaction lines — max 1-based reactant index equals nSpecies everywhere, zero references outside [1, nSpecies]. In-bounds for every network shape in the corpus. NOT REPRODUCED as a defect.

Provenance caveat on the marginals: the intermediate per-change figures (1.180x / 1.219x) came from binaries built via git stash, a repository-global operation two agents were damaged by the same day. Those two numbers are provenance-questioned pending a git checkout <sha> -- <file> rebuild. They are not part of any headline above.

Second comment posted by @RuleWorld. @perfOracle did not and will not edit this branch while perfEngine is rate-limited — two editors on one file mid-flight is the collision-replay mechanism that duplicated a CMake block earlier today.

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