Commit Graph
1275 Commits
Author SHA1 Message Date
leonarski_fandClaude Opus 5 32ecc296b8 broker: bootstrap a concrete max_hkl, as the API and the docs already claim
How far the predictor walks the lattice became a setting defaulting to "derive it from
the refined cell", which is what is wanted offline. Online it is not: per-image
prediction cost then depends on whichever crystal is mounted, and the cube (2n+1)^3
grows quickly. The broker was only ever handed a concrete value when a client sent a
bragg_integration block, and none of the shipped configs has one, so the derived path
was the normal deployment.

Four places in the tree - the conversion, the predictor, the OpenAPI description and the
changelog - already state that the broker keeps a fixed bootstrap. Make that true.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-03 14:14:09 +02:00
leonarski_fandClaude Opus 5 42eb5bbe83 rugnux: clamp the refinement thread count to what the setting accepts
RefineThreads rejects anything above 64, and the two-pass rotation path - the default -
passed nthreads/2 straight from the machine. On a host with 130 or more hardware
threads rugnux therefore exited 1 with the bare message "Candidate-cell refinement
thread count" before reading a single image, and the only workaround was to discover -N
and pass a smaller value. Dual 64-core parts are squarely in range.

The limit is now a named constant the setter and the callers share, so the two cannot
drift apart again.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-03 14:14:09 +02:00
leonarski_fandClaude Opus 5 bec7e2e922 image_preprocessing: fuse the bitshuffle inverse with preprocessing, and verify the decode
The device decoder was byte-exact on every valid input - 994 production-compressed
images, 927 hand-built LZ4 blocks covering engineered (offset, matchlen) pairs across
the overlap branch boundary, 18000 repeat decodes, sanitizer-clean - and an audit
against LZ4_decompress_generic could not construct a valid block it mis-decodes. What
it did not do was notice when the input was NOT valid, and that mattered more than it
looks: the decode buffers are reused frame to frame, so a block that stopped early left
the PREVIOUS image in place, and in the bitshuffled layout the untouched tail is the
most significant byte-plane. A corrupt chunk therefore did not look like a missing
corner. It looked like thousands of real pixels several powers of two too bright, fed
to spot finding with no diagnostic, where the host decoder had raised an error.

So the kernel now flags a block that fails to reach its declared length while consuming
exactly its payload, and the host turns that into an exception once the caller has
synchronised. Reads are clamped against the end of the payload as well as the output,
both length chains are bounded exactly as read_variable_length bounds them, the two
offset bytes are bounded, and LZ4's parsing restrictions are enforced. On the host side
a block size that is not a multiple of 8 elements is rejected (it made the un-transpose
read uninitialised shared memory), the block count is bounded by what the chunk could
hold before it becomes an allocation (twelve header bytes could demand hundreds of MB
of pinned memory, permanently, per worker), trailing bytes are rejected, and the stream
is synchronised before any throw that happens after work is queued. An image of fewer
than 8 elements is all verbatim tail and now decodes rather than throwing. When the
device route fails for any reason the host decoder gets its turn, so it costs speed
rather than the acquisition.

The lanes cooperate on the copies and a later match can read bytes another lane wrote,
which since Volta needs an explicit __syncwarp(); it worked only because ptxas happened
to reconverge at the post-dominator. The prototype's offset == 1 and power-of-two fast
paths are also restored - the shipped kernel ran a runtime modulo, an emulated 32-bit
division per output byte, on the path its own comment calls the common case.

The un-transpose is now fused with preprocessing. One thread owns one group of 8
elements across every byte-plane, so once it has transposed its 8 bytes out of each
plane it holds 8 complete elements and emits 8 finished int32 pixels with the mask, the
error marker, the saturation cap and the statistics applied. The decompressed image is
never materialised: 0.623 -> 0.411 ms/frame at 18 Mpx, 0.523 -> 0.340 with 8 concurrent
workers. Staging nothing in shared memory also drops the 48 kB ceiling, which had made
any file whose bitshuffle blocks exceed it a hard failure; 64 kB blocks now decode.
gpu_compressed is sized from the chunk with grow-on-demand instead of from the
uncompressed size - it was reserving ~73 MB per worker to hold ~4 MB. Measured on a
1630x1553 uint32 rotation set at -N 32, peak GPU memory falls 3756 -> 3084 MiB; the
same model gives ~144 MB per worker on an 18 Mpx frame.

Decoding on the device also stopped reporting a decompression time, which blanked the
broker's compression plot trace and filled /entry/profiling/compressionTime with NaN.
The decoder brackets the decode with CUDA events and reports it again.

Tests: a differential fuzz suite against the CPU decoder - incompressible and highly
compressible data, engineered offsets, a size sweep hitting every rem%8 value twice,
all six element sizes, an 18 Mpx frame, decoder reuse, concurrency, hand-built LZ4
blocks across the overlap boundary, 26 foreign bitshuffle block sizes from 128 B to
64 kB, corrupt payloads and malformed containers, with a coverage report that proves
which LZ4 paths were reached rather than assuming it. Plus the fused path held byte for
byte against ImagePreprocessorCPU, statistics included, and against the host-upload
path on the same frame.

Battery: 37 crystals, every merged number identical to the host-decode run.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-03 14:13:55 +02:00
leonarski_fandClaude Opus 5 47277674fa docs: split the breaking API changes out of the rc.161 change list
Build Packages / Unit tests (push) Successful in 1h20m27s
Build Packages / build:windows:nocuda (push) Successful in 15m19s
Build Packages / build:viewer-tgz:cpu (push) Successful in 11m44s
Build Packages / build:viewer-tgz:cuda (push) Successful in 13m1s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 19m11s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 16m35s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 20m51s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 15m28s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 19m40s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 17m44s
Build Packages / build:rpm (rocky8) (push) Successful in 20m45s
Build Packages / build:rpm (rocky9) (push) Successful in 18m12s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 19m32s
Build Packages / build:rpm (ubuntu2404) (push) Successful in 15m51s
Build Packages / DIALS test (push) Successful in 14m57s
Build Packages / XDS test (durin plugin) (push) Successful in 8m53s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 8m30s
Build Packages / XDS test (neggia plugin) (push) Successful in 7m20s
Build Packages / Generate python client (push) Successful in 38s
Build Packages / Build documentation (push) Successful in 1m4s
Build Packages / Create release (push) Skipped
Build Packages / build:windows:cuda (push) Successful in 19m11s
Earlier releases put breaking changes in their own paragraph after the bullets
(rc.139, rc.29) rather than as one item among them. Follow that: the OpenAPI
changes now sit under their own heading below the list, with the client-side
action in the lead line, and are listed one per change instead of run together.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-03 07:46:57 +02:00
leonarski_fandClaude Opus 5 737cbde3ff docs: tighten the changelog and the decoding section for release
Build Packages / build:viewer-tgz:cpu (push) Successful in 11m6s
Build Packages / build:viewer-tgz:cuda (push) Successful in 15m41s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 19m45s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 20m58s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 24m16s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 24m47s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 22m49s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 17m45s
Build Packages / build:rpm (rocky9) (push) Successful in 18m59s
Build Packages / XDS test (durin plugin) (push) Successful in 11m18s
Build Packages / build:rpm (rocky8) (push) Successful in 25m1s
Build Packages / build:rpm (ubuntu2404) (push) Successful in 19m31s
Build Packages / Generate python client (push) Successful in 49s
Build Packages / Create release (push) Skipped
Build Packages / Build documentation (push) Successful in 1m30s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 23m30s
Build Packages / DIALS test (push) Successful in 17m23s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 8m53s
Build Packages / XDS test (neggia plugin) (push) Successful in 7m21s
Build Packages / Unit tests (push) Successful in 1h56m58s
Build Packages / build:windows:nocuda (push) Successful in 18m13s
Build Packages / build:windows:cuda (push) Successful in 22m29s
The rc.161 changelog had grown entries several hundred words long and listed the
same area three or four times over. Collapse them by subject - spot finding,
resolution limits, space-group search, scaling, performance, correctness - and
hold each to one line, keeping the actionable detail in the breaking API entry.
Add the performance work that had not been written up: device-side image
decoding and the parallel first-pass candidate-cell refinement.

Section 0 of the CPU analysis document was the longest thing in it after two
core algorithm sections, and most of that was a profiling narrative and the
measurements that motivated the change rather than a description of what runs.
Cut it to the two kernels, the host-side block scan and the fallback rule. The
attribution stays; it is also in the reference list.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-03 07:44:55 +02:00
leonarski_fandClaude Opus 5 7e47afe47f rugnux: parallelise candidate-cell refinement, and stop repeating work in the tail
Build Packages / build:viewer-tgz:cpu (push) Successful in 20m26s
Build Packages / build:viewer-tgz:cuda (push) Successful in 21m30s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 22m36s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 24m4s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 28m10s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 28m12s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 28m23s
Build Packages / XDS test (durin plugin) (push) Successful in 11m21s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 20m56s
Build Packages / build:rpm (rocky9) (push) Successful in 21m10s
Build Packages / Generate python client (push) Successful in 40s
Build Packages / Build documentation (push) Successful in 1m34s
Build Packages / Create release (push) Skipped
Build Packages / build:rpm (rocky8) (push) Successful in 25m28s
Build Packages / DIALS test (push) Successful in 21m15s
Build Packages / build:rpm (ubuntu2404) (push) Successful in 21m26s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 25m51s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 10m53s
Build Packages / XDS test (neggia plugin) (push) Successful in 9m41s
Build Packages / Unit tests (push) Successful in 2h21m29s
Build Packages / build:windows:nocuda (push) Successful in 1m15s
Build Packages / build:windows:cuda (push) Successful in 28m0s
Three independent changes to the CPU-bound parts of an offline rotation run, none
of which alters a result.

Candidate-cell refinement now splits across threads. RefineCandidateCells already
took a (block, nblocks) partition, but the only call site passed nblocks=1, so the
whole first pass of a two-pass rotation run sat on one thread per scheme - two
threads, unchanged at every -N, for a third of the run. A block touches only its
own scores(j) and cells rows and holds its own scratch, so the split is exact.
The budget is a new IndexingSettings::RefineThreads, left at 1 by default and set
only where few indexer threads exist: raising it unconditionally would
oversubscribe the paths that already run one indexer per image across all workers.

The mmCIF writer built a std::ostringstream per formatted number, twelve per
reflection. snprintf gives the same digits for 0.535 -> 0.220 s per file.

The space-group search built the same orbit mapping twice per candidate point
group - once for the merge chi^2 and once for the systematic-error b, an
apply_to_hkl and Canonicalize per observation per operator each time. Build it
once and hand it to both.

18 Mpx rotation set 24.6 -> 18.7 s, 2.5 Mpx 13.0 -> 10.7 s, and the 37-crystal
battery 13m55s -> 10m47s with no failures, the same 34/37 space groups, and
statistics unchanged on 30 of 37 (the rest drift within the run-to-run spread the
binary already had, which a control build with the split disabled reproduces).

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-03 07:30:33 +02:00
leonarski_fandClaude Opus 5 13aa20a528 bragg_integration: grow the GPU reflection arrays with slack
EnsureCapacity resized its 13 device arrays to exactly the current image's
predicted-reflection count, so every image that set a new record freed and
reallocated all of them. cudaMalloc and cudaFree take a device-wide lock in the
CUDA driver, so those images stalled every other worker: sampling the worker
threads during the per-image loop found 21-24 of 32 parked in cuMemAlloc_v2 or
cuMemFree_v2, all called from this one function, and the running maximum makes
32 workers do far more allocator work than one does.

Grow by half again instead. All transfers and kernel launches are sized by the
per-image reflection count rather than by the capacity, and the member is
already documented as holding at least that many, so over-allocating changes no
result. On an 18 Mpx rotation set the integration stage drops from 1.37 to
1.25 ms per image at 32 workers; merged statistics, error model and adopted
space group are unchanged.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-03 01:02:07 +02:00
leonarski_fandClaude Opus 5 6e4c0ce202 image_preprocessing: decode bitshuffle+LZ4 on the GPU
Build Packages / build:viewer-tgz:cpu (push) Successful in 20m32s
Build Packages / build:viewer-tgz:cuda (push) Successful in 20m40s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 22m24s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 23m8s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 27m31s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 27m38s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 29m7s
Build Packages / XDS test (durin plugin) (push) Successful in 11m12s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 22m49s
Build Packages / build:rpm (rocky9) (push) Successful in 22m51s
Build Packages / Generate python client (push) Successful in 40s
Build Packages / Build documentation (push) Successful in 1m22s
Build Packages / Create release (push) Skipped
Build Packages / DIALS test (push) Successful in 20m21s
Build Packages / build:rpm (rocky8) (push) Successful in 27m26s
Build Packages / build:rpm (ubuntu2404) (push) Successful in 20m59s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 25m52s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 9m41s
Build Packages / XDS test (neggia plugin) (push) Successful in 7m41s
Build Packages / Unit tests (push) Successful in 1h17m41s
Build Packages / build:windows:nocuda (push) Successful in 13m24s
Build Packages / build:windows:cuda (push) Successful in 17m0s
The pipeline decompressed each image on the host and uploaded the result. On
an 18 Mpx rotation dataset that made the host-to-device copy the bottleneck of
the whole per-image loop: nsys puts the copies at 78% of the loop against 39%
for every kernel combined - 3600 transfers of 72.4 MB - and they ran at only
12.5 GB/s of an available 27-28 because the host-side decompression was itself
saturating host memory bandwidth. The GPU was mostly waiting.

So the compressed chunk goes across instead, about 4 MB rather than 72 MB, and
is decoded on the device. That removes the transfer and the host decompression
that was throttling it, in one change. Measured on an idle machine, a run goes
from 45.11 s to 24.97 s - 1.81x - with the merged output unchanged.

THE APPROACH IS JON WRIGHT'S (ESRF): "Experiences with GPU decompression for
bitshuffle + LZ4 data", HDF5 User Group 2021, and github.com/jonwright/
bslz4decoders. The kernels here are ours, but the idea and the demonstration
that it is worth doing are his. Cited in docs/ACKNOWLEDGEMENT.md and in the new
section 0 of docs/CPU_DATA_ANALYSIS.md.

Two kernels mirror the CPU decoder. LZ4 runs one WARP per bitshuffle block:
every lane parses the same sequence stream (a broadcast read, no divergence)
and the literal and match copies are split across the 32 lanes so the stores
coalesce; an overlapping match is treated as a pattern of period offset sourced
from bytes that already precede the write position, which keeps it parallel
rather than a serial byte loop. One thread per block instead measured 13x
slower. The bitshuffle inverse then un-transposes each byte-plane through
shared memory and interleaves the planes back into elements.

Only BSHUF_LZ4 is decoded on the device. The zstd variants have no device
decoder, and neither has an uncompressed or float image; Supports() returns
false for those and the caller decompresses on the host exactly as before. The
fallback is explicit, so a format we cannot decode on the device is a slower
path and never a wrong answer.

Tests hold the device decoder against the CPU one byte for byte, on data from
the production compressor, for every element size the detectors emit -
including the 8-bit DECTRIS modes, which take bitshuf_decode_block's separate
elem_size == 1 branch - plus a many-block frame, the formats it must decline,
and malformed containers, which must throw rather than run off a buffer.

Battery: 37 crystals, no failures, identical to the host-decode run.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-03 00:16:36 +02:00
leonarski_fandClaude Opus 5 59702b0123 spot_finding: give the ring reduction eight blocks per SM instead of four
reduce_rings_shared is the largest kernel in the per-image loop - 73% of GPU
kernel time on an 18 Mpx rotation run, launched three times per image - and it
is bound by shared-memory atomic replay rather than by bandwidth: it reaches
156 GB/s against a measured 913 GB/s ceiling, and removing the atomics while
keeping the same loads makes it five times faster.

That is the case that wants resident warps to hide the serialisation, and four
blocks per SM left only 512 of the 1536 threads an SM can hold. The per-block
histogram is nbins * 20 B, about 9.6 kB at the default 0.01 1/A spacing, so
eight blocks fit in shared memory with room to spare. Both kernels are
grid-stride loops, so any grid is correct and a device that cannot co-schedule
eight simply queues the rest.

Measured: 9.21 s -> 5.33 s of kernel time over a run (852 -> 493 us per
launch), cutting total kernel time from 12.57 s to about 8.85 s.

flag_strong keeps four. It is bandwidth-shaped rather than atomic-bound and
eight measured no better (181 vs 175 us).

Wall clock is unchanged, and that is expected rather than disappointing:
kernels are 39% of the image loop while the host-to-device copy is 78%, so
faster kernels idle the GPU more without shortening the loop. This is
groundwork for the transfer work, not a speedup on its own.

The shared accumulators are float and summed with atomics, so the block count
changes the summation order and with it the last bits. The 37-crystal battery
is identical crystal for crystal except one observation in 925850 on a single
dataset.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-03 00:02:34 +02:00
leonarski_fandClaude Opus 5 a047275760 spot_finding: fix the GPU finder's main loop, which the tests could not reach
Two bugs in analyze_pixel, both confined to the middle stage of the wave.

The kernel walks each wave's rows in three stages. The priming and drain
loops read prev_out and substitute INT32_MAX for a pixel the previous pass
found strong, exactly as the CPU finder's value_at() does on every read. The
main loop did not - it read the image raw. So in the second pass the pixels
the first pass found strong stayed in the background statistics, inflating the
local mean and variance, and the halo of every broad spot failed the
signal-to-noise test. The two engines therefore did not agree, despite
1a1e05ad1 having set out to make them.

Separately, shared_sum2 is an int64 accumulator but val*val and old*old were
computed in int32 at three sites. That wraps above 46340 while the detector
overloads around 1e6, so any window containing a bright pixel got a corrupted
variance. pixel_result already did the same arithmetic in 64 bits.

The reason this survived is worth recording: numberOfWaves is fixed at 32, so
a wave owns ceil(height/32) rows, and the main loop only runs while
front < rmax with front starting NBX+1 = 16 rows ahead. At the existing test's
100 rows a wave owns 4 rows and THE MAIN LOOP NEVER EXECUTES - every row goes
through priming or drain, and the parity test passed on the broken kernel. On
a 4362-row detector frame a wave owns 137 rows and the main loop carries about
121 of them, so the bug covered roughly 88% of a real image.

The new tall-image test is sized to the partitioning rather than to
convenience: 1024 rows, spots placed inside the main-loop region, one core at
100000 to exercise the overflow. Against the unfixed kernel it reports GPU 25
pixels where the CPU finds 49 and fails six assertions.

The default rugnux path is unaffected because it uses the adaptive finder, and
the 37-crystal battery is identical crystal for crystal. The classic finder is
what SpotFindingSettings defaults to, so this is the online receiver's path;
measured there with --no-adaptive-spots, R-meas improves 11.2% -> 10.9% and
CC1/2 98.8% -> 98.9% on one crystal, with multiplicity up on both tried.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-02 23:31:44 +02:00
leonarski_fandClaude Opus 5 83e95b0c5a indexing: stop computing angles the candidate filter only compares
Build Packages / build:windows:nocuda (push) Successful in 16m15s
Build Packages / build:viewer-tgz:cpu (push) Successful in 19m47s
Build Packages / build:viewer-tgz:cuda (push) Successful in 22m4s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 22m49s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 23m7s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 28m2s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 28m7s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 28m19s
Build Packages / build:windows:cuda (push) Successful in 15m41s
Build Packages / XDS test (durin plugin) (push) Successful in 10m48s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 19m55s
Build Packages / build:rpm (rocky9) (push) Successful in 21m11s
Build Packages / Generate python client (push) Successful in 40s
Build Packages / Build documentation (push) Successful in 1m44s
Build Packages / Create release (push) Skipped
Build Packages / DIALS test (push) Successful in 20m53s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 26m15s
Build Packages / build:rpm (rocky8) (push) Successful in 27m37s
Build Packages / build:rpm (ubuntu2404) (push) Successful in 21m36s
Build Packages / XDS test (neggia plugin) (push) Successful in 10m11s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 11m5s
Build Packages / Unit tests (push) Successful in 1h21m20s
Candidate cell filtering called acos three times per candidate to turn dot
products into degrees, then compared those against the min/max angle bounds.
acos is strictly decreasing on [-1, 1], so "angle outside [min, max]" is
exactly "cosine outside [cos(max), cos(min)]" with the ends swapped - the
bounds convert once, and the three acos calls per candidate disappear.

The same loop also re-derived every already-accepted candidate's unit cell on
each new triple, inside the duplicate scan: three more acos each, for every
candidate accepted so far. Those cells are now kept alongside the candidates.

Measured on de-novo serial stills, where the indexer runs once per image:
34.43 s -> 14.17 s on one dataset and 21.92 s -> 6.59 s on another, with the
indexing rate and the merged reflection count unchanged (one gained 0.25
points of indexing rate). acos had been 40% of the whole process there.

Scope is narrower than that number suggests, and worth stating: the win is on
the de-novo path, which Auto selects for stills only when NO cell is known.
With a known cell Auto picks ffbidx, which reaches the same filter but feeds
it few candidates - measured neutral there (+0.5% instructions, -1.6% wall,
identical output), and that path already runs 14x faster in absolute terms.
Rotation runs the indexer twice per dataset rather than per image, so it is
unaffected: the full 37-crystal battery is identical, crystal for crystal.

Comparing cosines instead of angles can only move a candidate that sits on the
bound, so the filter's behaviour is unchanged except at that measure-zero
boundary.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-02 21:24:57 +02:00
leonarski_fandClaude Opus 5 87f31fa06c ci: record why LTO is a flag and not CMAKE_INTERPROCEDURAL_OPTIMIZATION
Build Packages / build:viewer-tgz:cpu (push) Successful in 15m33s
Build Packages / build:viewer-tgz:cuda (push) Successful in 16m1s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 17m16s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 18m56s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 18m30s
Build Packages / build:windows:nocuda (push) Successful in 14m54s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 16m10s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 17m47s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 21m31s
Build Packages / build:rpm (rocky8) (push) Successful in 20m26s
Build Packages / build:rpm (rocky9) (push) Successful in 15m58s
Build Packages / XDS test (durin plugin) (push) Successful in 9m8s
Build Packages / Generate python client (push) Successful in 35s
Build Packages / build:windows:cuda (push) Successful in 20m42s
Build Packages / Build documentation (push) Successful in 1m23s
Build Packages / Create release (push) Skipped
Build Packages / build:rpm (ubuntu2404) (push) Successful in 16m32s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 20m3s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 10m47s
Build Packages / XDS test (neggia plugin) (push) Successful in 9m55s
Build Packages / DIALS test (push) Successful in 15m9s
Build Packages / Unit tests (push) Successful in 1h17m19s
The CMake variable is the tidier spelling and would cover the MSVC job too, so
it is the obvious thing to reach for and worth saying why it was not.

It builds and links, CUDA included - and it does not reach .cu targets either
way, so there is no -dlto risk on either route. But it optimises less: 396.9 G
retired instructions against 384.9 G for -flto=auto, three runs each, with a
0.45% run-to-run spread, so a 3% gap is not measurement luck. Of 107 static
libraries the two routes agree within 5% on 105; the flag additionally covers
FFTW and libzmq. And CMAKE_AR stayed plain ar under the variable, so the
archive-handling argument for it did not hold here either.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-02 20:32:14 +02:00
leonarski_fandClaude Opus 5 d55f3257ed ci: regenerate the published API artefacts, and build Linux with LTO
update_version.sh had not been run for the adaptive spot-finding schema
change. Running it leaves the C++ server model and the TypeScript client
byte-identical to what the generators produced directly, but it also
regenerates two artefacts the direct calls do not touch and which are tracked:
the Python client's published documentation and the Redoc bundle. Both now
carry adaptive_threshold and false_pixels_per_frame.

LTO joins -march in the CI flags, which is why MARCH_CMAKE_FLAGS is now
LINUX_CMAKE_FLAGS - it no longer describes only the architecture. Measured on
rugnux against an otherwise identical build: 7-10% fewer retired instructions
and a 9% smaller binary, but only ~1.5% off the wall clock, because the
pipeline is GPU- and I/O-bound. It costs about 3x on an incremental rebuild
(9.8 s -> 30.1 s for one file plus link), so it stays out of CMakeLists and
out of a developer's edit cycle: CI builds from scratch and ships the result,
paying the link once. It links against CUDA with no special handling, and both
CI images already put gcc-toolset-13 on PATH, which -flto=auto requires.

MSVC is left alone: its LTO is a different flag (/GL + /LTCG) and nothing here
measured it.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-02 20:21:50 +02:00
leonarski_fandClaude Opus 5 90ab67f376 broker: expose adaptive spot finding over the API
The self-calibrating detection threshold was reachable from rugnux and the
viewer but not online: spot_finding_settings carried no adaptive_threshold, so
the receiver always ran the fixed-threshold finder and the fused GPU engine
sat unused behind it.

adaptive_threshold and false_pixels_per_frame are now part of the schema, both
optional so an existing client that sends neither is unaffected, wired through
OpenAPIConvert in both directions and surfaced in the frontend panel, where
turning the mode on greys out the count threshold it replaces and reveals the
operating point it uses instead. The C++ server model and the TypeScript
client are regenerated from the spec; the Python client is generated but not
tracked.

Enabling it is REFUSED where spots are found on the FPGA - the JUNGFRAU and
EIGER workflows - rather than accepted and ignored, because a detection
setting that silently had no effect cannot be told apart from one that did.
The DECTRIS/SIMPLON workflow, which analyses images in software, accepts it.
Verified against a running broker: adaptive_threshold true is rejected with
that message and leaves the stored settings untouched, while false and omitted
both succeed.

It stays off by default online, unlike rugnux and the viewer. The broker
serves both workflows and the default has to be the one that works on either.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-02 20:01:34 +02:00
leonarski_fandClaude Opus 5 c4f5e62e86 tests: lock the whole reflection round trip, not six fields of it
The round-trip test checked h, k, l, I and the two predicted coordinates. The
other ten fields were written and read back unasserted, which is how the
offline --scale path came to lose image_number without a test noticing - it is
the field 3D-integrated reflections carry a fractional value in, and rocking
events cannot be grouped without it.

Reflections are now built by a helper that puts a distinct value in every
field that is meant to survive, keyed on the image and the reflection index so
a value read back from the wrong place cannot match, and checked by one that
asserts all of them. Verified by reintroducing the image_number loss, which
fails six assertions and passes none of them silently.

dist_ewald, observed and on_ice_ring are deliberately excluded and the test
says why: the first two are prediction/integration scratch that is never
written, and the third is recomputed from the resolution by whoever scales.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-02 19:52:46 +02:00
leonarski_fandClaude Opus 5 ea667cb306 rugnux: handle ice rings in --scale as the full pipeline does
Build Packages / build:viewer-tgz:cpu (push) Successful in 7m11s
Build Packages / build:viewer-tgz:cuda (push) Successful in 7m42s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 9m36s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 10m35s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 11m20s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 9m14s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 10m40s
Build Packages / build:rpm (rocky8) (push) Successful in 11m41s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 10m38s
Build Packages / build:rpm (rocky9) (push) Successful in 11m41s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 12m42s
Build Packages / build:rpm (ubuntu2404) (push) Successful in 11m18s
Build Packages / Generate python client (push) Successful in 26s
Build Packages / Build documentation (push) Successful in 1m0s
Build Packages / Create release (push) Skipped
Build Packages / XDS test (neggia plugin) (push) Successful in 7m7s
Build Packages / XDS test (durin plugin) (push) Successful in 7m31s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 7m53s
Build Packages / build:windows:nocuda (push) Successful in 16m47s
Build Packages / DIALS test (push) Successful in 10m22s
Build Packages / build:windows:cuda (push) Successful in 17m37s
Build Packages / Unit tests (push) Successful in 1h42m32s
--scale did none of the ice handling the run that wrote the _process.h5 had
done, so re-scaling a stored dataset silently produced a different - and
flatteringly more complete - answer than the pipeline it was meant to
reproduce. Three separate gaps:

  * --detect-ice-rings was accepted and ignored. The --scale block returns
    before the line that applies it.
  * Reflections were never flagged as sitting on an ice ring, so the per-image
    scale fit included them. The flag is not stored per reflection, so it has
    to be recomputed from the resolution.
  * RotationScaleMerge was constructed with the ice half-width hardcoded to
    zero. That is what turns a resolution into a ring index, so every ice test
    inside the merge was a no-op whatever was passed to it.

The CC1/2 ring test that decides which rings to drop moves into
FindDecorrelatedIceRings, shared with the full pipeline so both reach the same
verdict on the same data, and --scale now re-merges with the mask the way the
pipeline does. The stills branch re-runs only the merge: the scaling has
already been applied to the reflections and repeating it would compound it.

Measured on a rotation dataset with three decorrelated rings, --scale went
from 8765 unique / 36.3% completeness / R-meas 18.5% / <I/sig> 1.1 to
7638 / 31.6% / 18.0% / 1.3, against the full pipeline's 7692 / 31.8% / 17.9% /
1.3 - the reported completeness had been inflated by reflections the pipeline
drops. The full pipeline is bit-identical across the refactor.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-02 19:49:55 +02:00
leonarski_fandClaude Opus 5 5f30f0d1ac tests: hold the integer coordinate conversion to the module map
Build Packages / build:viewer-tgz:cpu (push) Successful in 6m40s
Build Packages / build:viewer-tgz:cuda (push) Successful in 7m28s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 10m51s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 12m20s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 11m38s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 12m35s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 11m39s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 12m10s
Build Packages / build:rpm (rocky8) (push) Successful in 11m55s
Build Packages / build:windows:nocuda (push) Successful in 19m48s
Build Packages / build:rpm (ubuntu2404) (push) Successful in 12m4s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 12m42s
Build Packages / Generate python client (push) Successful in 20s
Build Packages / build:rpm (rocky9) (push) Successful in 13m33s
Build Packages / Create release (push) Skipped
Build Packages / Build documentation (push) Successful in 1m8s
Build Packages / XDS test (durin plugin) (push) Successful in 8m51s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 7m17s
Build Packages / DIALS test (push) Successful in 13m39s
Build Packages / XDS test (neggia plugin) (push) Successful in 7m5s
Build Packages / build:windows:cuda (push) Successful in 21m16s
Build Packages / Unit tests (push) Successful in 1h47m1s
ConvertToImageCoordinates now transforms the photon-weighted sums instead of
the centroid, which is only equivalent because a module's raw -> image map is
a signed axis swap plus an integer translation. Check that against the map
itself on every module of a detector whose modules do not share an
orientation, and either side of the 256-column multipixel gaps where the
translation changes. A wrong sign or a dropped gap term on any single module
would otherwise only show up as mispositioned spots on that module.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-02 19:14:32 +02:00
leonarski_fandClaude Opus 5 b6d3dcc6fe rotation_indexer: demand a decisive margin before adopting an axis multiple
Build Packages / build:viewer-tgz:cpu (push) Successful in 7m55s
Build Packages / build:viewer-tgz:cuda (push) Successful in 9m0s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 13m54s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 13m59s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 14m18s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 14m27s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 14m38s
Build Packages / build:windows:nocuda (push) Successful in 17m15s
Build Packages / build:rpm (rocky8) (push) Successful in 11m49s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 13m9s
Build Packages / XDS test (durin plugin) (push) Successful in 7m54s
Build Packages / Generate python client (push) Successful in 31s
Build Packages / Build documentation (push) Successful in 1m7s
Build Packages / Create release (push) Skipped
Build Packages / build:rpm (ubuntu2404) (push) Successful in 13m9s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 13m40s
Build Packages / build:rpm (rocky9) (push) Successful in 14m46s
Build Packages / DIALS test (push) Successful in 14m16s
Build Packages / XDS test (neggia plugin) (push) Successful in 8m33s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 8m47s
Build Packages / build:windows:cuda (push) Successful in 15m50s
Build Packages / Unit tests (push) Successful in 1h41m18s
Candidate selection promoted a later cell whenever it indexed 0.05 more of
the accumulated spots. That margin is not meaningful when the candidate is a
near-integer volume multiple of the incumbent: multiplying an axis halves the
reciprocal spacing, so the multiple has a lattice point wherever its sub-cell
has one and another in between, and it collects spots the sub-cell leaves
unindexed for reasons that have nothing to do with the crystal. The indexed
fraction is biased in its favour, and a small lead is not evidence.

On one rotation dataset the true cell and a spurious 5x supercell were
separated by 0.003 of indexed fraction against a bar of 0.05 - close enough
that the -march flags the binary happened to be built with decided it. The
baseline build kept the true cell and merged to an R-free of 0.24 against an
external model; an -march=x86-64-v3 build (what CI uses) took the supercell,
carried it into a doubled cell and a different space group, and merged to an
R-free of 0.58, which is noise. Both were reproducible, five runs each, and
independent of thread count.

An integer multiple now has to index 1.5x the incumbent, the same shape the
lower-symmetry-setting guard next to it already uses. A real superstructure's
satellite rows are a large share of its spots and clear that comfortably.
Both builds now agree on the true cell with a wide margin.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-02 19:03:47 +02:00
leonarski_fandClaude Opus 5 8f1b0b2281 spot_finding: accumulate spot centroids in integers
The photon-weighted position sums were floats, so the centroid's last bit
depended on the build rather than on the data: gcc contracts the multiply-add
in AddPixel into an FMA under -march=x86-64-v3 and cannot at the baseline,
and MSVC does not contract at all under /fp:precise. The GPU extractor had to
match with __fmaf_rn, and the parity test still needed a two-ulp slack for
hosts that do not fuse.

Column, line and the per-pixel count are all integral, so the sums are exact
in int64 and both implementations reach the same bits with nothing to match.
The parity test now demands exact equality unconditionally and gets it,
including on a baseline build.

ConvertToImageCoordinates keeps the sums integral too: the raw -> image map
is a signed axis swap plus an integer translation, so it is applied to the
sums instead of to the centroid.

Drops the SpotToSave constructor, which had no callers and could not have
been converted without quantising the stored centroid.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-02 19:03:35 +02:00
leonarski_fandClaude Opus 5 cd16053c2b rugnux: use the project PI constant, not M_PI
MSVC does not define M_PI without _USE_MATH_DEFINES, and rugnux is part of
the portable subset that JFJOCH_VIEWER_ONLY builds. JFJochMath.h already
carries PI for exactly this reason.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-02 18:53:06 +02:00
leonarski_fandClaude Opus 5 e7be5447d3 receiver: stop copying every frame back from the device on the Lite path
Build Packages / Unit tests (push) Successful in 1h1m55s
Build Packages / build:viewer-tgz:cpu (push) Successful in 8m10s
Build Packages / build:viewer-tgz:cuda (push) Successful in 9m20s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 14m6s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 14m9s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 14m13s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 13m43s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 14m22s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 13m21s
Build Packages / build:rpm (rocky8) (push) Successful in 12m0s
Build Packages / build:rpm (rocky9) (push) Successful in 13m23s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 13m18s
Build Packages / build:rpm (ubuntu2404) (push) Successful in 13m6s
Build Packages / DIALS test (push) Successful in 13m59s
Build Packages / XDS test (durin plugin) (push) Successful in 8m4s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 8m40s
Build Packages / XDS test (neggia plugin) (push) Successful in 8m1s
Build Packages / Generate python client (push) Successful in 32s
Build Packages / Build documentation (push) Successful in 1m9s
Build Packages / Create release (push) Skipped
Build Packages / build:windows:nocuda (push) Failing after 13m23s
Build Packages / build:windows:cuda (push) Failing after 12m24s
The Lite workflow built its analysis with the fused GPU engine disabled, which is
also what decides whether the preprocessed image is copied device-to-host after
every frame. So on a machine with a GPU the online path was moving the whole image
back - 72 MB on a large detector, every frame, per worker - for a host reader that
does not exist on that path.

It was left off deliberately when the fused engine was added, to keep the online
path unchanged in that commit, and never revisited. Nothing depends on it: the FPGA
workflow uses a different analysis class, and strong-pixel values are read through a
device gather rather than from the host image.

Turning it on changes no result, and cannot: adaptive detection is unreachable
online, because the REST schema exposes no way to enable it, so the classic GPU
finder runs either way. Measured anyway, both engines on the same frames across five
datasets including very weak ones: 2400 frames, 638260 spots, not one difference -
identical lists, identical indexing rate, identical merge statistics to every
printed digit.

On a large detector with eight workers the median per-image cost falls from 94 to
59 ms and preprocessing from 21 to 6 ms; throughput rises from about 48 to 55 Hz. No
percentile regresses, which is what matters for a service - the ninetieth improves
from 128 to 74 ms and the tail with it. Spot finding gets faster too, because the
large copy no longer contends with the device gather.

Correct two statements while here. The flag's comment and the data-analysis
document both said the online receiver uses the CPU adaptive finder; online never
runs an adaptive finder at all, and the copy the flag really controls was not
mentioned. That copy would be better expressed as what it is - whether a host engine
will read the image, which the constructor already knows - rather than inferred from
which spot finder is wanted.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-02 15:16:18 +02:00
leonarski_fandClaude Opus 5 ccbc366e2f reader: read the frame number back with the reflections
Build Packages / build:viewer-tgz:cpu (push) Successful in 7m3s
Build Packages / build:viewer-tgz:cuda (push) Successful in 7m40s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 10m59s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 10m21s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 10m24s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 11m40s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 11m8s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 12m26s
Build Packages / build:rpm (rocky8) (push) Successful in 11m32s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 12m0s
Build Packages / build:rpm (rocky9) (push) Successful in 12m44s
Build Packages / build:rpm (ubuntu2404) (push) Successful in 11m39s
Build Packages / Generate python client (push) Successful in 24s
Build Packages / Create release (push) Skipped
Build Packages / Build documentation (push) Successful in 54s
Build Packages / XDS test (durin plugin) (push) Successful in 8m19s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 7m27s
Build Packages / DIALS test (push) Successful in 12m54s
Build Packages / XDS test (neggia plugin) (push) Successful in 6m20s
Build Packages / Unit tests (push) Successful in 1h1m7s
Build Packages / build:windows:nocuda (push) Failing after 3s
Build Packages / build:windows:cuda (push) Failing after 2s
The per-reflection frame number is written to the process file and always has been,
but the reader's designated initialiser simply omitted it, so every reflection came
back at frame zero. Nothing complained, because zero is a valid frame.

It matters because the 3D combine splits a reflection's partials into rocking events
by frame contiguity. With every observation claiming frame zero there are no gaps to
split on, so a reflection's entire rotation range collapses into ONE event: measured
on a rotation dataset, 216066 fulls against 216705 distinct reflections, where the
pipeline finds 367416. Forty-two per cent of the observations disappear, the
goniometer-frame absorption surface evaluates every observation at a single angle,
and the radiation-damage estimate is computed over a run that appears to last no
time at all.

The reason this survived is that the damage flatters: fewer, better-agreeing
observations per reflection give R_meas sixteen per cent lower, ISa thirty per cent
higher and a slightly better CC1/2 than the real merge. Anyone re-scaling a stored
file was reading numbers that looked better than the pipeline's while standing on
less than two thirds of the data, and one radiation-damage figure that was pure
artefact.

Read it as mandatory rather than optional-with-default, like h/k/l and the
intensities: a silent zero is precisely the failure being fixed, and every file this
function can read carries the dataset.

After the fix the combine reproduces the pipeline exactly. The normal path does not
go through this reader and is byte-identical before and after.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-02 13:37:13 +02:00
leonarski_fandClaude Opus 5 4bdb229fb8 spot_finding: find connected components on the GPU
Build Packages / build:viewer-tgz:cpu (push) Successful in 7m46s
Build Packages / build:viewer-tgz:cuda (push) Successful in 9m14s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 13m51s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 14m17s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 14m14s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 14m43s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 14m45s
Build Packages / build:rpm (rocky8) (push) Successful in 11m44s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 13m24s
Build Packages / XDS test (durin plugin) (push) Successful in 8m33s
Build Packages / Generate python client (push) Successful in 28s
Build Packages / Build documentation (push) Successful in 1m4s
Build Packages / Create release (push) Skipped
Build Packages / build:rpm (rocky9) (push) Successful in 12m45s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 12m25s
Build Packages / build:rpm (ubuntu2404) (push) Successful in 13m1s
Build Packages / DIALS test (push) Successful in 14m29s
Build Packages / XDS test (neggia plugin) (push) Successful in 8m17s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 9m5s
Build Packages / Unit tests (push) Successful in 1h16m19s
Build Packages / build:windows:nocuda (push) Failing after 2s
Build Packages / build:windows:cuda (push) Failing after 3s
The spot finder flagged strong pixels on the device and then labelled them on the
host, so every frame sent the packed bitmask back - 2.26 MB on a large detector -
and the host walked all of it to recover a few hundred pixels. Do the labelling on
the device instead: compact the bitmask into a flat-index-sorted list, find each
pixel's backward neighbours by binary search, union them lock-free with path
halving, then label, accumulate and filter in one kernel. Only the spot list comes
back, and only one stream synchronisation per frame.

The gain in the ordinary case is modest - about a quarter off per-image spot
finding - because the host algorithm is genuinely fast on a normal frame. What
justifies it is the frame that is not ordinary. The host labels a sorted sparse
list through a window spanning two detector lines, so its cost is quadratic in how
many strong pixels share a line. A lit band of detector rows - a hot module, a
panel edge - costs 33 ms at two rows and 377 ms at fifteen, all of it under the
pixel cap that was supposed to bound this, and none of it maskable when the cause
is a diffraction ring rather than a defect: a ring runs tangent to a row at its
top and bottom, which is exactly the shape that hurts. The device version is flat
at 0.05 to 0.64 ms across every geometry tried, so an online run no longer stalls
a quarter of a second on an ice ring. Rejecting an over-cap frame is now free too,
since the count is known before any pixel is written.

Also label once and filter three times. The per-image minimum-pixel search runs the
extraction at three settings, but that setting only decides which components are
kept - it does not change the components - so the search itself need not be
repeated. This helps the host path as much as the device one.

The resolution mask moves to the device as a bit mask, uploaded when the limits
change rather than per frame, since the compaction needs it there.

Parity is asserted permanently rather than argued: five cases covering realistic
frames, occupancy from a hundred pixels to past the cap, the pathological
geometries including rings, the resolution mask, and a hundred-repeat determinism
check - requiring the same partition, the same spot order, and identical counts.
The centroid is a float sum and therefore order-dependent, so the device walks each
component from its root in ascending order and fuses its multiply-add the way the
host's does; note that whether the host fuses at all depends on the architecture
flags, so exact centroid equality is asserted where the compiler fuses and a
two-ulp bound otherwise. Making those accumulators integer would remove that
dependence entirely and is worth doing separately.

Regression set: all 37 crystals identical to the last printed digit. Unit suite
passes with the new cases.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-02 13:34:43 +02:00
leonarski_fandClaude Opus 5 e4d70f0e55 image_preprocessing: inline the buffer accessors
Build Packages / build:viewer-tgz:cpu (push) Successful in 7m6s
Build Packages / build:viewer-tgz:cuda (push) Successful in 8m15s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 13m41s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 13m53s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 14m15s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 14m27s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 14m44s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 13m6s
Build Packages / build:rpm (rocky8) (push) Successful in 12m1s
Build Packages / XDS test (durin plugin) (push) Successful in 6m58s
Build Packages / Generate python client (push) Successful in 35s
Build Packages / Build documentation (push) Successful in 1m3s
Build Packages / Create release (push) Skipped
Build Packages / build:rpm (ubuntu2404) (push) Successful in 12m41s
Build Packages / build:rpm (rocky9) (push) Successful in 14m0s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 13m59s
Build Packages / DIALS test (push) Successful in 13m49s
Build Packages / XDS test (neggia plugin) (push) Successful in 8m38s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 9m20s
Build Packages / Unit tests (push) Successful in 1h1m46s
Build Packages / build:windows:nocuda (push) Failing after 2s
Build Packages / build:windows:cuda (push) Failing after 2s
operator[], size(), data() and getBuffer() are one-line accessors that were defined
in the .cpp. The build sets no link-time optimisation, so out of line each of them is
a real call - once per pixel, from the CPU preprocessor, the CPU azimuthal integrator
and the CPU spot finder - and they stop those loops vectorising at all. They show up
in a profile directly: about six per cent of a whole azimuthal-integration-only run
is spent in the call overhead of two accessors that do nothing but index a vector.

Moving them into the header retires 30% fewer instructions on that run and takes the
per-image CPU cost on a GPU-less pass from 34.6 to 24.2 ms, with the output bit for
bit unchanged - same observation count, same cell, same merge statistics. It is worth
nothing on the GPU path, where the image stays on the device, and everything on the
paths that have no GPU to fall back on.

This also explains a measurement that had been blamed on the pixel mask being a
vector<bool>: a microbenchmark of that loop indexed a raw pointer and came out far
faster than the same loop in the binary, and the difference was this call, not the
mask. Measured properly the mask costs about 14% single-threaded rather than the 41%
claimed, and at the thread counts this actually runs at the bit mask is FASTER than
the byte mask it was proposed to become, because it moves eight times less traffic
and the loop is bandwidth bound. That change should not be made.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-02 11:20:31 +02:00
leonarski_fandClaude Opus 5 639fbb3fbc indexing: select predicted reflections by partiality, build indexers where it pays
Build Packages / build:viewer-tgz:cpu (push) Successful in 7m34s
Build Packages / build:viewer-tgz:cuda (push) Successful in 8m42s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 13m24s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 13m31s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 13m44s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 14m5s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 14m16s
Build Packages / build:rpm (rocky8) (push) Successful in 11m28s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 12m45s
Build Packages / XDS test (durin plugin) (push) Successful in 7m39s
Build Packages / Generate python client (push) Successful in 36s
Build Packages / Build documentation (push) Successful in 1m4s
Build Packages / Create release (push) Skipped
Build Packages / build:rpm (rocky9) (push) Successful in 12m20s
Build Packages / build:rpm (ubuntu2404) (push) Successful in 12m35s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 13m9s
Build Packages / DIALS test (push) Successful in 13m57s
Build Packages / XDS test (neggia plugin) (push) Successful in 7m57s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 8m39s
Build Packages / Unit tests (push) Successful in 1h1m5s
Build Packages / build:windows:nocuda (push) Failing after 2s
Build Packages / build:windows:cuda (push) Failing after 3s
When more reflections are predicted for a frame than the output can hold, the
surplus was dropped by keeping those closest to the Ewald sphere. On the rotation
path that quantity is identically zero by construction - the rocking coordinate is
chosen so the scattering vector lands exactly on the sphere - so the comparison
fell through to h, k and l and the survivors were whichever came first in
lexicographic order. Measured on a large cell: every value within one float ulp of
zero, and the kept set had a MEAN PARTIALITY BELOW that of the full set, i.e. worse
than choosing at random. Rank by partiality instead, which the predictor already
computes and which is what the header always claimed was being kept. On the one
regression crystal large enough to cross the cap this lifts completeness from 84.8%
to 90.2% on the same observations; multiplicity and R_meas move the way they must
when the same measurements cover more of reciprocal space.

The online path asked for a cap of ten thousand but the truncation was hardcoded to
the offline limit, so the broker predicted and integrated up to six times what it
could transport and discarded the rest after paying for it. Honour the caller's
limit, which also makes the post-integration re-truncation dead code.

Indexer pool construction becomes a policy. The online service needs every indexer
resident before data arrives, because a cuFFT plan built on the first frame is
planning time inside the measurement; spending memory to be ready is the intended
trade there and stays the default. Offline there is no such deadline, and a stills
run with a known cell was holding a fully allocated FFT indexer per worker that the
algorithm resolution can never dispatch - 2.8 GB where 0.4 GB is needed. rugnux and
the viewer opt into building on first use; the broker, the receiver and the tests
are untouched. This also removes a dangling reference that was latent: the worker
held the settings by reference although the pool is routinely constructed from a
temporary, which only survived because eager construction finished inside the
constructor call.

Finally, refuse a first-pass lattice that indexes fewer than a sixth of the
validation frames. It fires on nothing in the regression set - the weakest real
crystal sits at 22 of 60, more than twice the floor - so it is a backstop, but the
failure it prevents is one the set does contain: a dataset with no crystal at all
adopts a lattice from its powder rings, integrates every image against it, and dies
much later inside the merge complaining about resolution. It now stops in the first
pass and says what to try.

Regression set: 36 of 37 crystals byte-identical, the exception being the
completeness gain above; 34 of 37 space groups, no failures. Full unit suite passes.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-02 09:12:27 +02:00
leonarski_fandClaude Opus 5 b47bce7c3b ci: give the MSVC viewer /arch:AVX, and write down why -march lives in CI
Build Packages / build:viewer-tgz:cpu (push) Successful in 6m47s
Build Packages / build:viewer-tgz:cuda (push) Successful in 7m11s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 10m9s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 9m45s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 10m39s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 11m48s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 11m26s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 11m48s
Build Packages / build:rpm (rocky8) (push) Successful in 10m35s
Build Packages / build:rpm (rocky9) (push) Successful in 11m22s
Build Packages / build:rpm (ubuntu2404) (push) Successful in 11m41s
Build Packages / Generate python client (push) Successful in 17s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 12m21s
Build Packages / Create release (push) Skipped
Build Packages / Build documentation (push) Successful in 49s
Build Packages / XDS test (durin plugin) (push) Successful in 8m19s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 7m42s
Build Packages / XDS test (neggia plugin) (push) Successful in 6m32s
Build Packages / DIALS test (push) Successful in 12m35s
Build Packages / Unit tests (push) Successful in 1h3m57s
Build Packages / build:windows:nocuda (push) Failing after 2s
Build Packages / build:windows:cuda (push) Failing after 3s
The Linux jobs already pass -march=x86-64-v3; the MSVC viewer job passed nothing,
so it built at the x64 baseline. MSVC has no spelling for the x86-64-v2 level, but
/arch:AVX is the nearest and implies SSE4.1/4.2 - which is the part that matters,
because below SSE4.1 Eigen has no vectorised round and falls back to one libm call
per element. AVX is Sandy Bridge and up, a safe floor for a desktop viewer.

The architecture flags stay OUT of CMakeLists on purpose, so a site can build
x86-64-v4 on an AVX-512 cluster, or -march=native, or the plain baseline. That is
easy to mistake for an oversight and "fix", so say it in CLAUDE.md - together with
the consequence that catches anyone profiling: a default local Release build is not
what CI or production runs, and the gap is not uniform. GPU-bound work is
unaffected, but the CPU and Eigen bound phases - first-pass indexing and
scaling/merging - measure about 26% slower without the flags. That is enough to
make rounding look like a tenth of all cycles when a real build has it nearly free,
and to send a reader at the wrong code.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-01 21:58:36 +02:00
leonarski_fandClaude Opus 5 6e805f53c0 image_analysis: stop paying for work that is thrown away
Build Packages / build:viewer-tgz:cpu (push) Successful in 8m17s
Build Packages / build:viewer-tgz:cuda (push) Successful in 9m11s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 13m38s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 13m57s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 13m57s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 14m13s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 14m15s
Build Packages / build:rpm (rocky8) (push) Successful in 11m22s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 12m51s
Build Packages / XDS test (durin plugin) (push) Successful in 7m56s
Build Packages / Generate python client (push) Successful in 32s
Build Packages / Build documentation (push) Successful in 1m4s
Build Packages / Create release (push) Skipped
Build Packages / build:rpm (rocky9) (push) Successful in 13m23s
Build Packages / build:rpm (ubuntu2404) (push) Successful in 13m15s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 13m53s
Build Packages / DIALS test (push) Successful in 14m21s
Build Packages / XDS test (neggia plugin) (push) Successful in 8m36s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 9m16s
Build Packages / Unit tests (push) Successful in 1h15m16s
Build Packages / build:windows:nocuda (push) Failing after 2s
Build Packages / build:windows:cuda (push) Failing after 2s
Three independent costs, each measured, none changing a result. Across the
37-crystal regression set the run time halves (median per crystal 2.0x, total
2.3x) and every crystal's merge statistics are unchanged.

The image copy back from the device moved the whole preprocessed frame - 72 MB
on a large detector, every frame, per worker - to serve a single host consumer
that reads only the strong pixels, at most a few hundred kilobytes of it. Give
the buffer a Gather() so that consumer asks for the values it actually wants (a
host loop on the CPU, a small kernel on the GPU), and copy the frame back only
when a CPU spot finder will genuinely read it. The copy the other way was worse:
it came from an unregistered vector, so the driver staged it through its own
pinned pool with a host-side memcpy on the calling thread, which does not overlap
and collapses under concurrency - 11.6 GB/s at one worker, 1.6 GB/s at eight.
That, not any hardware limit, is why throughput stopped improving past four to
eight workers. Pinning the decompression buffer once per worker fixes it: on a
18 Mpx dataset the image loop goes from 13.6 to 7.9 ms per image at 32 workers,
and 32 workers now beat 8 instead of losing to them.

Ceres was computing seventeen partial derivatives where five are free. The
per-image rotation refinement frees the beam and the orientation and holds
distance, detector angles, rotation axis and cell constant, but the cost
function declared all seven blocks, so every residual evaluated in Jet<17>
arithmetic. A residual exposing only the two free blocks - the same arithmetic,
the constants baked in - halves refinement, and it is exact rather than merely
close: dual coordinates evolve independently, so the residuals and the free
Jacobian columns are unchanged bit for bit.

The merge sorted an index array with a comparator that dereferenced a 1.6 GB
array of 72-byte records, i.e. a random walk over memory, single-threaded, twice
per two-pass run. Sorting a packed key instead is 2.4x. French-Wilson allocated
its integration scratch per reflection and ran serially; it now takes caller-owned
scratch and runs over chunks, 4.2x. The correction surfaces re-tested every
observation for usability and parity on each of ~22 passes and re-allocated their
accumulators each time; bucket the indices once and hoist the buffers.

Also convert std::round to std::rint where the rounded value only ever enters a
squared residual. The tie rules differ - away from zero against to even - so this
is safe exactly where a tie flips the sign but not the magnitude, and unsafe
wherever the value becomes a Miller index; those sites keep std::round. Verified
over all 2^32 float bit patterns: 8388608 exact ties exist, and the squared
residual is bitwise equal for every one of them. Worth little on its own here,
because the rounding that dominates is in candidate refinement, where the value
is an index and the substitution is not available.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-01 21:35:28 +02:00
leonarski_fandClaude Opus 5 bfb8cb813c rugnux: report per-image cost honestly instead of per-worker blocked time
Build Packages / build:viewer-tgz:cpu (push) Successful in 7m1s
Build Packages / build:viewer-tgz:cuda (push) Successful in 7m54s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 13m44s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 13m59s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 14m12s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 14m18s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 14m26s
Build Packages / build:rpm (rocky8) (push) Successful in 12m10s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 13m21s
Build Packages / XDS test (durin plugin) (push) Successful in 7m6s
Build Packages / Generate python client (push) Successful in 28s
Build Packages / Build documentation (push) Successful in 1m3s
Build Packages / Create release (push) Skipped
Build Packages / build:rpm (ubuntu2404) (push) Successful in 12m38s
Build Packages / build:rpm (rocky9) (push) Successful in 13m41s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 13m38s
Build Packages / DIALS test (push) Successful in 13m45s
Build Packages / XDS test (neggia plugin) (push) Successful in 8m33s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 9m14s
Build Packages / Unit tests (push) Successful in 1h2m17s
Build Packages / build:windows:nocuda (push) Failing after 2s
Build Packages / build:windows:cuda (push) Failing after 3s
Each stage timer measures wall time inside one worker, so it counts whatever that
worker spent blocked on a contended resource - above all the single GPU - as well
as its own work. Those waits overlap across workers, so the mean was printed as if
it were the per-image cost when it is roughly the per-image cost times the worker
count. At the default thread count on a large detector the reported total came out
more than twenty times the truth, and single stages were printed as several times
the entire per-image budget of the run. That is the one output anyone tuning
performance reads, and it sent this investigation at the wrong stage for a while.

Divide by the worker count. It is a lower bound - a worker idle rather than blocked
is not counted - so rather than hide the remainder, report the image loop's own wall
time next to it, and with it the time spent OUTSIDE the loop. Nothing measured the
latter before, yet on a rotation run the first-pass indexing and the scaling and
merging can be more of the run than the per-image work is: on a large-detector run
here it is 5.1 s against 3.0 s. Both figures are for the last pass, and a two-pass
rotation run does all of it twice.

Also stop printing nan. The per-image indexing and scaling timers are never fed on
the two-pass rotation path, because the lattice is forced rather than searched per
image and the merge happens outside the loop, so every default rotation run reported
"indexing nan scaling nan". A stage that did not run is now simply absent.

Measured against the loop's own wall clock on a 18 Mpx dataset: 5% at one worker,
11% at eight, 29% at thirty-two, versus 23x too high before.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-01 14:49:45 +02:00
leonarski_fandClaude Opus 5 0ae1a307bc indexing: complete a rank-deficient direction set, and keep the higher-symmetry setting
Build Packages / build:viewer-tgz:cpu (push) Successful in 6m54s
Build Packages / build:viewer-tgz:cuda (push) Successful in 7m54s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 13m50s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 14m8s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 14m14s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 14m21s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 14m33s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 12m45s
Build Packages / build:rpm (rocky8) (push) Successful in 11m56s
Build Packages / XDS test (durin plugin) (push) Successful in 6m43s
Build Packages / Generate python client (push) Successful in 27s
Build Packages / Build documentation (push) Successful in 1m4s
Build Packages / Create release (push) Skipped
Build Packages / build:rpm (rocky9) (push) Successful in 13m4s
Build Packages / build:rpm (ubuntu2404) (push) Successful in 12m51s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 13m6s
Build Packages / DIALS test (push) Successful in 13m36s
Build Packages / XDS test (neggia plugin) (push) Successful in 8m27s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 9m18s
Build Packages / Unit tests (push) Successful in 1h4m14s
Build Packages / build:windows:nocuda (push) Failing after 4s
Build Packages / build:windows:cuda (push) Failing after 3s
The FFT shortlist could be rank-deficient, and then no cell could be formed at
all. FilterFFTResults takes the strongest max_vectors RAW directions and only
then prunes ones within 5 degrees of each other, but a single lattice row is
sampled by many neighbouring directions of the 16k half-sphere, so thirty raw
peaks routinely prune down to four or five distinct directions - the strongest,
hence shortest, rows. When a crystal's densest rows share a plane, every
surviving direction is coplanar, every triple the reduction forms is degenerate,
and the indexer returns nothing. On such a crystal the weak third axis was the
eighth distinct direction, at raw rank 78. Keep walking the same magnitude order
for up to four more directions that are 5 degrees clear of everything kept,
appended after the length sort so the earlier entries hold their positions and
the reduction still forms every triple it formed before - the shortlist only
gains candidates at its end.

That exposed two ways a change of SETTING was mistaken for a different lattice.
A centred conventional cell is an exact integer multiple of its primitive one,
so the same lattice described two ways differs by that factor: comparing
conventional volumes reads a setting change as a sub-cell or a supercell. Both
the candidate selection in the rotation indexer and the pass-2 comparison in the
driver did exactly that, and between them they discarded a correctly-classified
cubic F cell in favour of the body-centred tetragonal description of the very
same lattice. Compare primitive volumes in both, as the scheme comparison
already did.

Fixing the volumes alone was not enough, because the indexed fraction is also
biased across crystal systems: a subgroup setting holds fewer cell parameters
fixed than its supergroup, so it can never index fewer spots and will always
look better by that measure. Where a candidate has a lower lattice point-group
order at the same primitive volume - the signature of the same lattice in less
symmetry - require it to index markedly better, not merely better, before it
displaces the incumbent.

A general metric-symmetry promotion was implemented and rejected on evidence: it
raised a correct body-centred orthorhombic cell to triclinic and a monoclinic
one to C-centred orthorhombic, and no threshold separates the cases, because a
false pseudo-orthorhombic degeneracy measured tighter than a true cubic one on
obliquity and on alternative-basis axis excess alike. Metric alone cannot decide
this; only the intensities can, which is what the space-group search is for.

Measured over the 37-crystal regression set: one crystal goes from failing
outright to 91% indexed with 91% completeness and a better R_meas than the
reference, one keeps the cubic setting it had before, and every other crystal is
byte-identical. Full unit suite passes.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-01 12:59:34 +02:00
leonarski_fandClaude Opus 5 2238290d6d rugnux: make spot settings reach rotation indexing, and stop over-claiming
Build Packages / build:viewer-tgz:cpu (push) Successful in 8m55s
Build Packages / build:viewer-tgz:cuda (push) Successful in 10m20s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 12m57s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 13m57s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 13m58s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 14m0s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 14m56s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 12m35s
Build Packages / build:rpm (rocky8) (push) Successful in 12m34s
Build Packages / XDS test (durin plugin) (push) Successful in 9m18s
Build Packages / Generate python client (push) Successful in 34s
Build Packages / Build documentation (push) Successful in 1m3s
Build Packages / Create release (push) Skipped
Build Packages / build:rpm (ubuntu2404) (push) Successful in 12m44s
Build Packages / build:rpm (rocky9) (push) Successful in 13m54s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 13m29s
Build Packages / DIALS test (push) Successful in 14m46s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 8m10s
Build Packages / XDS test (neggia plugin) (push) Successful in 7m11s
Build Packages / Unit tests (push) Successful in 1h1m18s
Build Packages / build:windows:nocuda (push) Canceled after 0s
Build Packages / build:windows:cuda (push) Canceled after 0s
Three small honesty and cost fixes on the two-pass rotation path.

Spot-finding settings did not reach the step that determines the unit cell. The
two-pass first pass reuses the spots stored in the file whenever it has them, and
reuse is the default, so both sampling schemes and the validation loop ran on
acquisition-time spots while only the per-image pass saw the command line. Every
--spot-* option was therefore a no-op for the lattice search on any file written by
this software, silently, and the lattice was cross-validated against one spot set and
applied to another. Giving spot settings now implies re-finding them for the first
pass as well, and plain reuse says so in the log.

The summary printed a space group and unit cell even when nothing indexed. With a
zero indexing rate the cell is whatever the lattice search happened to return, no
reflection was ever measured on it, and no output file is written - so stating it as
the run's answer claims a result the data do not support. Say that no lattice was
determined instead.

The second pass re-indexes de novo so the cell comes out self-consistent with the
post-refined geometry, and its result was already checked against the first pass -
once by the supercell test and once by the centring test - but only after every image
had been integrated with it, so a disagreement cost a whole extra pass on a dataset
that ended up on the first pass's lattice regardless. Compare them at the point the
lattice is adopted instead, using the same two tests and the same fallback. A
triclinic de-novo cell is left alone, being the demotion the merge reindexes.

Measured over the 37-crystal regression set: merge statistics are unchanged on every
crystal (the two that move are the known rotation-indexing non-determinism - one
observation in 2.9 million, and a zero-score lattice landing on no partials instead of
a few). Crystals whose data were already cached in the reference run are unchanged in
wall time. The one dataset that was burning a discarded pass went from three passes to
two, 509 s to 198 s, against 0.81x for the same-detector dataset that was already
running two passes - so about 214 s of the saving is the removed pass.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-31 23:13:11 +02:00
leonarski_fandClaude Opus 5 0b1fb6c870 image_analysis: share the read-only GPU lookup tables per device
Build Packages / build:viewer-tgz:cpu (push) Successful in 8m32s
Build Packages / build:viewer-tgz:cuda (push) Successful in 10m13s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 12m56s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 13m51s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 14m2s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 14m25s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 15m1s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 13m2s
Build Packages / build:rpm (rocky8) (push) Successful in 12m55s
Build Packages / XDS test (durin plugin) (push) Successful in 9m41s
Build Packages / Generate python client (push) Successful in 28s
Build Packages / Build documentation (push) Successful in 47s
Build Packages / Create release (push) Skipped
Build Packages / build:rpm (ubuntu2204) (push) Successful in 12m13s
Build Packages / build:rpm (ubuntu2404) (push) Successful in 12m35s
Build Packages / build:rpm (rocky9) (push) Successful in 13m38s
Build Packages / DIALS test (push) Successful in 13m57s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 9m21s
Build Packages / XDS test (neggia plugin) (push) Successful in 9m49s
Build Packages / Unit tests (push) Successful in 1h1m3s
Build Packages / build:windows:nocuda (push) Canceled after 0s
Build Packages / build:windows:cuda (push) Canceled after 0s
One analysis engine is built per worker thread, and each uploaded its own copy of
tables that are pure functions of the detector geometry: the pixel -> azimuthal bin
map and the per-pixel corrections (both in AzIntEngineGPU AND again in
AdaptiveSpotFinderGPU, from the same mapping), plus the pixel mask. On an 18 Mpx
detector that is ~224 MB per worker; with 32 workers ~7 GB of device memory held 32
identical copies.

Upload each table once per GPU instead and hand every engine on that device a shared
pointer to it. The cache is keyed by (device, source-vector address) because workers
are pinned round-robin across GPUs, so on a multi-GPU node each device keeps its own
copy - a kernel may only read memory resident on the device it runs on - and the
table is freed on the device that allocated it. Entries are held weakly, so a table
goes away with the last engine using it.

Measured on an 18 Mpx detector, 32 worker threads, 16 GB card: the stills path went
from exhausting the card (OOM in de-novo indexing) to 8.6 GB peak, and a normal
rotation run from 14.6 GB to 7.4 GB - it had been running within 1.6 GB of the limit,
so any larger detector or second GPU consumer would have tipped it over. Per-worker
footprint drops 403 -> 173 MB. Merge statistics are unchanged on a six-crystal
regression subset, including two-pass runs where the second pass rebuilds the mapping
on refined geometry, and wall time is unchanged (13.5-13.8 s vs 13.8-14.1 s).

Also take the launch configuration from the current device rather than device 0 in
AzIntEngineGPU and ImagePreprocessorGPU: with round-robin pinning, device 0's SM count
and shared-memory size can belong to a different card than the one the kernels use.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-31 18:41:27 +02:00
leonarski_fandClaude Opus 5 1a1e05ad14 spot_finding: run the same two passes on the CPU as on the GPU
Build Packages / build:viewer-tgz:cpu (push) Successful in 7m50s
Build Packages / build:viewer-tgz:cuda (push) Successful in 8m38s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 13m32s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 14m17s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 14m21s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 14m27s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 14m39s
Build Packages / build:rpm (rocky8) (push) Successful in 11m59s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 13m8s
Build Packages / XDS test (durin plugin) (push) Successful in 7m15s
Build Packages / Generate python client (push) Successful in 24s
Build Packages / Build documentation (push) Successful in 1m5s
Build Packages / Create release (push) Skipped
Build Packages / build:rpm (rocky9) (push) Successful in 12m28s
Build Packages / build:rpm (ubuntu2404) (push) Successful in 12m50s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 13m18s
Build Packages / DIALS test (push) Successful in 14m17s
Build Packages / XDS test (neggia plugin) (push) Successful in 8m9s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 8m52s
Build Packages / Unit tests (push) Successful in 59m1s
Build Packages / build:windows:nocuda (push) Canceled after 0s
Build Packages / build:windows:cuda (push) Canceled after 0s
ImageSpotFinderGPU::Detect launches its kernel twice, feeding the first
pass's strong-pixel bitmap back in so the second recomputes each local
background with those pixels excluded and keeps them strong. The CPU
finder ran a single pass, so the two returned different spot lists for the
same frame and a dataset processed without a GPU did not match one
processed with it.

It matters for any spot wide enough to reach into its own 31x31 background
box: the spot inflates the mean and variance it is then tested against, so
its outer pixels fail the SNR test. On the test image added here - a 5x5
core at 300 counts with a one-pixel ring at 25 - a single pass returns the
25-pixel core and 7500 counts where two passes return the full 49 pixels
and 8100.

pxl_val also becomes int64_t, matching the GPU's pixel_result signature.
It was int32_t, so pxl_val * pxl_val overflowed above 46341 counts even
though the surrounding sums were already 64-bit.

The new parity test compares PixelCount and Count, not just the centroid,
which does not move for a symmetric spot whether or not the ring was
picked up; it was confirmed to fail against the old single-pass CPU.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-31 15:37:22 +02:00
leonarski_fandClaude Opus 5 bc5e5d3a3d image_pusher: do not hold connections_mutex across sends and joins
The header has said since it was written that blocking queue operations
must never run under connections_mutex; three code paths did exactly that.
KeepaliveThread held it while sending a keepalive to every connection,
which blocks until the peer-liveness or backpressure timeout - so one
half-dead writer socket could stall SendImage and every /statistics poll
for up to a minute, from an idle-time heartbeat. AcceptorThread and
StartDataCollection held it across RemoveDeadConnections, which joins a
writer thread that may itself be inside such a send.

RemoveDeadConnections is split in two: DetachDeadConnections unlinks them
from the pool under the mutex, which is quick, and CloseDeadConnections
tears them down afterwards with the mutex released - safe because they are
no longer reachable by anyone else. The keepalive loop copies the pool out
and sends outside the lock, the pattern EndDataCollection already used.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-31 15:37:22 +02:00
leonarski_fandClaude Opus 5 84489b63b4 broker: deactivate even when the last run left an error behind
Deactivate() called measurement.get() inside the try that guards the
power-off, so an exception stored by a previously failed run was rethrown
before services.Off() ever ran: the detector stayed powered while the
state reported Error, and the operator had no way to turn it off. The
future is still reaped - it has to be - but its failure is logged and
dropped. It was already reported when it happened, and leaving the
detector on is the worse outcome.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-31 15:36:46 +02:00
leonarski_fandClaude Opus 5 797a28a572 rugnux: correct the stale adaptive-spots default comment
The declaration still said "stills on, rotation off". Adaptive detection
has since been turned on for both workflows - adaptive_spots.value_or(true)
- which the comment at the assignment already explains.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-31 15:03:33 +02:00
leonarski_fandClaude Opus 5 b5b7cf2cf9 docs: say what the CPU prediction path actually does
BraggPrediction.h claimed the buffer "GROWS to whatever a frame actually
predicts, so a large cell is never truncated here". Only the two GPU Calc
overrides call GrowCapacity; both CPU predictors stop at max_reflections.
The cap is applied inside the h/k/l walk and before the resolution test,
so what survives is the low-|h| block, not the reflections nearest the
Ewald sphere - a cell large enough to overflow 20000 gives different
merged reflections with and without a GPU. Documented rather than
silently claimed otherwise.

Also removed a paragraph describing a once-per-predictor overflow warning
that no longer exists, and fixed the rugnux_cli.cpp path in HDF5.md.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-31 15:02:57 +02:00
leonarski_fandClaude Opus 5 66e705c0fe docs: correct the FPGA analysis limits and the square-root coefficient
The azimuthal bin limit is FPGA_INTEGRATION_BIN_COUNT = 2048, not 1024.
There are 16 ROIs, not 64, and the map is a 16-bit per-pixel mask, so a
pixel belongs to any subset of them rather than to exactly one.

The lossy transform is round(sqrt(N*N*X)) = round(N*sqrt(X)): the HLS
squares the sqrtmult register before multiplying. The doc said sqrt(N*X),
which is off by sqrt(N), and the register comment claimed the value was
"minus one" and "should be square of the coeff" - both wrong, the host
writes N and the FPGA squares it.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-31 15:02:11 +02:00
leonarski_fandClaude Opus 5 164f15c903 geom_refinement: stop committing refinements that did not converge
Four of the seven ceres::Solve calls in image_analysis obtained a
Solver::Summary and never looked at it, so a solve that failed numerically
had its parameters written back and was reported as success.
StillsPartialityRefine and both PostRefine solves already gated on
IsSolutionUsable(); this brings the rest to the same contract.

IsSolutionUsable() is the right test rather than checking for CONVERGENCE:
it accepts a solve that ran out of iterations or wall-clock time but still
descended, which is exactly what the real-time callers depend on when they
set max_solver_time instead of max_num_iterations. Only FAILURE and
USER_FAILURE are rejected.

XtalOptimizer checks before the write-back, so a failed refinement now
leaves the caller's geom and latt untouched instead of half-updated.
GeometryRefiner folds it into result.ok, which previously reported success
from spot and frame counts alone. RingOptimizer returns a geometry by
value that both callers assign straight back over their input, so it hands
back the unchanged reference rather than a diverged beam centre.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-31 15:02:11 +02:00
leonarski_fandClaude Opus 5 b1740935d8 CLAUDE.md: bring it back in line with the tree
Verified section by section. The corrections that matter:

- image_analysis/pixel_refinement/ is gone (38ea0ec23). The style rule it
  anchored - no defensive or unrequested code - stays, now attached to the
  experimental analysis code generally.
- rugnux_cli.cpp lives in rugnux/, not tools/ (f737424bd).
- There is no .clang-tidy in the tree and never has been; the naming
  conventions are kept, described as what the code already does.
- compression/ has no sqrt codec - the algorithms are BSHUF_LZ4 and the
  three BSHUF_ZSTD variants. The square-root transform is an FPGA pipeline
  stage.
- jfjoch_hdf5_test is defined in tools/, not tests/.
- JFJOCH_VIEWER_ONLY was undocumented, and is forced ON on Windows/macOS.
- The per-image-scalar recipe pointed at reader/JFJochHttpReader.cpp, which
  does not exist (it is viewer/), and missed that EndMessage carries both a
  per-image vector and a run-mean scalar, so the CBOR END block needs two
  keys. Added the camelCase-dataset vs snake_case-field trap.
- The portability notes described work already done (libjpeg-turbo) and
  recommended fetching Eigen, which CMakeLists explicitly rules out.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-31 14:59:13 +02:00
leonarski_fandClaude Opus 5 4ea5e6d01b viewer: stop rebuilding closed windows on every dataset tick
The queue-level fix for the live-follow OOM bounded how many datasets are
in flight, but not what each tick costs. Three handlers did full-dataset or
full-detector work per tick regardless of whether their window was open:

- the calibration window copied the whole pixel mask (GetMask returns a
  reference; it was taken by value), memcpy'd it and ran a full-resolution
  recolour on the GUI thread;
- the image-list window rebuilt one row of eight QStandardItems per image,
  and then repainted every cell of the model on every frame to move a
  one-row highlight;
- the dataset-info plot was rebuilt twice per tick, because setCurrentIndex
  fires currentIndexChanged -> comboBoxSelected -> UpdatePlot and the
  caller then called UpdatePlot again.

The first two now defer to showEvent while hidden, following the pattern
JFJochViewerReciprocalSpaceWindow::rebuildGL already uses; the highlight
repaints only the two rows that change; and the combo is blocked around
setCurrentIndex so the plot is built once.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-31 14:58:35 +02:00
leonarski_fandClaude Opus 5 a6c9f92c24 viewer: cull and cap the saturated-pixel overlay
DrawSaturation walked the whole saturated set adding two QGraphicsLineItems
each, with none of the viewport culling DrawSpots and DrawPredictions do
directly above it, and no upper bound - and it is rebuilt on every pan,
zoom and frame change. Unlike spots, that set is not bounded by a setting:
an over-exposed frame or a missing beamstop saturates a large fraction of
the detector, which meant hundreds of thousands of scene items and a
multi-second freeze on each mouse drag.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-31 14:58:35 +02:00
leonarski_fandClaude Opus 5 fb0272023e scale_merge: apply outlier rejection to the anomalous split on the GPU path
The GPU merge kernel rejects outliers on the device and keeps a per-full
flag there, but only returned the per-group counts. The host array the
CPU path fills stayed all zero, and the anomalous I(+)/I(-) accumulator
is host-side and unconditional - so with --reject-outliers and a GPU
present, the observations the merged IMEAN dropped were still averaged
into I(+) and I(-). The same command on a CPU-only host excluded them:
the exported anomalous differences depended on whether a GPU was there.

R_meas was unaffected, having its own device-side path that reads the
flags in place. MergeAccum now hands the per-full flags back so every
host-side reduction sees the same rejections. The comment claiming
reject_outliers was excluded from the GPU path was never true.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-31 14:53:17 +02:00
leonarski_fandClaude Opus 5 f8beee7e87 frontend: surface spot-finding upload failures and send sliders on release
This was the only panel firing the generated call directly, with the
rejection routed to console.log. Because the poll then kept returning the
unchanged server value - which still equalled lastDownloadedS - the
resync effect never fired, so the dashboard showed a threshold the broker
was not using, indefinitely and silently. It now goes through useUpload
like its siblings, so a failure raises the snackbar, and onError puts the
server's value back in the panel.

The eight sliders also applied from onChange, which MUI fires for every
intermediate position while dragging: one drag across the ice-ring width
sent ~200 PUTs plus ~200 forced /statistics refetches, each reconfiguring
spot finding on the running acquisition. Dragging now only moves the
panel; the value is sent from onChangeCommitted.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-31 14:50:39 +02:00
leonarski_fandClaude Opus 5 16145cd55c compression: bound the hperf decompressor by the buffer it was given
JFJochDecompressHperfPtr took source_size and never looked at it: every
per-block length was read out of the stream and passed straight to
LZ4_decompress_safe/ZSTD_decompress as the source length, with src_ptr
advanced by it. The only check happened after the whole buffer had
already been walked. A truncated frame, or a block header claiming
0x7fffffff, read far past the end of a heap buffer - reachable from the
ZeroMQ CBOR path and from any HDF5 chunk the XDS plugin is handed.

block_size == 0 satisfied the "% BSHUF_BLOCKED_MULT" test and then
divided at nelements / block_size, and source_size < 12 underflowed
source_size - 12 to about 2^64. Both are now rejected.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-31 14:47:01 +02:00
leonarski_fandClaude Opus 5 60528f6ba4 broker: refuse to deactivate while the detector is busy
Deactivate() holds m for the whole power-off sequence, which is right -
nothing else should touch the detector while it is being turned off - but
it had no state check, unlike every other entry point. Called during a
measurement, calibration or initialisation it waited on measurement.get()
while holding m, and those threads re-acquire m to finish: a deadlock
that wedged every endpoint, /cancel included.

IsRunning() is exactly the set of states with a live background thread,
so deactivating stays possible from Error - otherwise a failed initialise
would leave no way to power the detector down.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-31 14:45:45 +02:00
leonarski_fandClaude Opus 5 1aeb7cfbe3 writer: clamp the processing VDS to the images actually written
The processing VDS mapping is built from the number of images a run set
out to process, while total_images comes from the end message and is the
number it actually finished. Those differ whenever a run is cancelled or
skips an unreadable frame, and the mismatch was a hard throw - which
NXmx::Finalize catches by deleting the temporary master, so rugnux lost
the entire _process.h5 and every completed image with it. Ctrl-C after
5000 of 100000 images produced no output file at all.

Map what was written and drop the remainder instead.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-31 14:44:42 +02:00
leonarski_fandClaude Opus 5 d2d1d78545 spot_finding: keep the GPU wave inside the image
rowsPerWave is rounded up, so with 32 waves the last waves can start at
or past the last row: rmin was never clamped and only the drain loop
checked front against height. On any detector below about 1500 rows -
including the module-converted 500K and 1M geometries and the kernel's
own unit tests - the priming and steady-state loops read whole rows past
the end of the image buffer, and those garbage rows entered the sliding
background window of the bottom rows.

Blocks with no rows to write now return before the first __syncthreads
(rmin depends only on blockIdx.y, so the block leaves together and the
collective ops stay well formed), and both remaining reads are bounded by
height. Rows past the end keep the INT32_MIN sentinel, which the window
already treats as "not counted".

The raw read in the steady-state loop is left as it is: making it apply
the prev_out substitution that the other two read sites use would change
which pixels are found, which is a separate question from this fix.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-31 14:43:49 +02:00
leonarski_fandClaude Opus 5 4a8a8e69bf lattice_search: give Niggli character 40 its own reindex matrix
Character 40 carried a verbatim copy of character 35's matrix
(0-10 / -100 / 00-1), whose determinant is 1. A C-centred conventional
cell needs determinant 2, so a genuine oC lattice was returned as its
primitive monoclinic cell while still being labelled Orthorhombic 'C':
the refiner then clamped a ~117 degree beta to 90 and prediction dropped
half the reflections of a cell that has no centring.

International Tables A 3.1.3.1 gives 0-10 / 012 / -100 for character 40.
Character 35 is correct as it stands and is left alone.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-31 14:41:46 +02:00
leonarski_fandClaude Opus 5 5e3d580a0e lattice_search: fix the sign of the Niggli character 9 reindex matrix
International Tables A 3.1.3.1 gives 100 / -110 / -1-13 for character 9;
the last element was -3. With a negative determinant the transform is
left-handed and the "conventional" rhombohedral cell is not hexagonal -
beta came out around 110-134 degrees instead of 90 and c was far too
long. Any R lattice tall enough to reduce to character 9 was affected,
and the downstream Trigonal->Hexagonal promotion then forced 90/90/120
onto that wrong cell.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-31 14:41:25 +02:00
leonarski_fandClaude Opus 5 89208697cb common: reset the slot status before putting it back on the free list
release() published the handle through ReleaseSlot and only then wrote
status = InPreparation. ReleaseSlot makes the handle available to
GetImageSlot immediately, and GetImageSlot hands back this very object
without resetting it, so the receiver could observe the stale Sending
status and throw "Trying to send image that is not in preparation",
aborting the collection - or take the opposite interleaving and leak the
slot.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-31 14:41:13 +02:00