Commit Graph
179 Commits
Author SHA1 Message Date
jungfrauandClaude Opus 5 5ee0f22a61 Build the detector's lookup tables once, not once per worker
The image loop gives every worker its own analysis engine, so a run builds ninety-six of them. Each
one derived, from scratch, tables that are the same in all of them: the byte-per-pixel mask, the
resolution mask, the radial kernel, and the checksum that names the shared device tables.

The checksum was the worst of it, because it is part of the cache KEY and so is computed before the
lookup - a hit still hashed the whole table. On a 16 Mpx detector that is the bin table, the
corrections and the mask, 126 MB an engine, about twelve gigabytes over a run, to answer a question
whose answer had not changed. The header said it cost nothing measurable; a profile says otherwise,
and says it is worst exactly during the ramp when the machine has nothing else to do.

It cannot simply be remembered against the address, which is what it exists to catch: a buffer can
be freed and another allocated where it was, and the cache would then hand back a device copy of
something else. So the owner of the bytes computes it instead. The azimuthal mapping writes its two
tables in its constructor and never again. The pixel mask re-derives its binary form and its
checksum on every path that changes the mask, and all of those paths are now private to the class.
The key therefore still describes the bytes as they are at the moment of the lookup.

The resolution mask was two passes over every pixel - a float comparison into a vector<bool>, then a
bit-by-bit repack - in each of the ninety-six. It is one pass now, writing the packed form directly,
built once for the limits asked for and handed out as a shared pointer so a worker keeps the mask it
was given. The radial kernel is cached on the six numbers it is derived from.

Nothing computes a different value; only who computes it changes. Byte-identical merged output on a
16 Mpx set and on a small one.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_011n8riB6X59oRjkrSHzNPAU
2026-08-23 12:59:58 -04:00
jungfrauandClaude Opus 5 27020d27e9 Take the merge's per-observation sweeps off one thread
Of the seventeen seconds a high-multiplicity crystal spends in scaling and merging, only three are
GPU work. The rest is the host, and most of it was running on one or two cores of forty-eight.

Eight of those passes are elementwise maps over the observation array - restoring the scaling
correction at the start of a pass, saving it before the pass filters, scattering it back from the
device, the zeta filter, the frame rejection, the two gathers that hand it to the device again, and
the collapsed-scale ratio. Each reads and writes an eighty-byte record per observation, each ran
serially, and each runs once per cycle with five cycles in a run. They are independent per element,
so chunking them changes nothing but the wall clock. The zeta filter's drop count is now one atomic
add per chunk rather than per observation, and it is an integer, so no arrival order can move it.

The download of the combined fulls did the same work twice over: `assign(nf, Obs{})` zeroed a
quarter of a gigabyte that the next loop overwrote completely, fifteen scratch vectors were
allocated and zeroed afresh every cycle, and the gather from them was a three-million-iteration
serial loop. The scratch is now kept between cycles and the gather is chunked.

The correction surfaces were the last of it. Their inner pass sums the reference intensity of every
usable full, thirty-nine times a run, and a comment asked for per-worker accumulators if it ever
mattered. It does now, but per-worker accumulators would re-associate the double sums. The fulls are
already grouped by a stable counting sort, so walking that grouping visits each group's members in
increasing index - the order the serial loop added them in - and the sums keep their exact sequence.
Copying the four fields the pass actually reads into a packed record first is what makes it pay:
what kept this serial was not the addition but the random read across 265 MB of fat structs, and 53
MB read in order is a different thing.

Ingest is parallel over frames now, which is safe because a frame's mean background is still summed
in that frame's own order by one thread - it is the incident-flux meter and it has to be exact. The
larger rewrite it deserves, sorting a narrow key first and building the fat record only for the ten
per cent that survive the resolution cut, is left alone.

Measured with the surrounding commits: a high-multiplicity set 35.6 s -> 32.4 s, a large-cell one
52.6 s -> 46.1 s, byte-identical merged output on both.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_011n8riB6X59oRjkrSHzNPAU
2026-08-23 12:59:35 -04:00
jungfrauandClaude Opus 5 0fed94d75b Gather post-refinement's partials without touching four gigabytes twice
Post-refinement fits eight numbers, and it selects the twenty thousand best-recorded events to fit
them from. Before it can select, it copies every integrated partial into an array of its own and
sorts it. On a large cell that is 63 million of them, and the phase took 8.5 s of a 56 s run.

Almost none of that was the sort. `std::vector<Partial> pts(n)` value-initialises: one thread writes
3.5 GB of zeroes, page by page, before the parallel fill overwrites every byte of it - and being the
first touch, it also decides where the pages live, so the whole array lands on one NUMA node and
every later pass over it runs at one node's bandwidth. The same again for the sorted copy. Allocate
the storage without initialising it and let the parallel fill be the first touch.

The record itself carried more than the sort reads. `angle_rad` is a function of the image number
that the goniometer can give back on demand, and the two observed positions are wanted only by the
distance step, and only for the twenty thousand it keeps. Storing what is read - and as the floats
the fields already were, since widening a float to a double is exact - takes the record from 56
bytes to 32, which is a third off the fill and half off the sort's element moves.

Then three passes that walked the whole array to no purpose. The h range is now taken in the count
pass, which reads the same reflections anyway; the bucket histogram in the fill pass, which already
has h in hand. The event split walked serially and grew its output by doubling - about a gigabyte of
pure copying - although h is the leading sort key, so a rocking event never crosses an h bucket:
count per bucket, prefix, fill in parallel, and the events come out in the order the serial walk
produced them. And the copy of the whole event list, made only so that nth_element could destroy the
original, is now an index array.

Every one of these is the same arithmetic in the same order. Measured on a large-cell rotation set,
with the two commits that follow: 52.6 s -> 46.1 s, and the merged .hkl, .mtz and .cif are
byte-identical. `part_less` is deliberately left as it was, not a total order: what makes it
reproducible is that each bucket reaches the sort in gather order, and the new chunking is still a
contiguous span of that order.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_011n8riB6X59oRjkrSHzNPAU
2026-08-23 12:59:35 -04:00
jungfrauandClaude Opus 5 4a537dbfc2 Bin the error model's samples without sorting them
The (a, b) fit wants sixteen equal-count bins in I^2 and takes three medians out of each. It was
getting them by sorting the whole pool - millions of 32-byte samples - and it did that fourteen
times a run: the fit runs once per merge and twice where the resolution cutoff refits, the outlier
refit doubles it again, and there are five merges. Each call also took its pool BY VALUE, so every
one of those began by copying tens of megabytes, and each bin then built three more vectors by
push_back to hand to a median.

A bin only has to be the right SET. Put each boundary in place with nth_element instead, splitting
the boundaries down the middle so every level halves the range it works on - four levels of linear
work against n log n - and take the three medians straight off the bin's own span with the field
wanted, which is what median_of was doing anyway: it returns the lower median, exactly the element
nth_element leaves at that index. No copy is made at all, and the sixteen bins are disjoint so they
divide over the cores.

The comparator is now total. The sort it replaces was not stable, so which of two samples of equal
I^2 landed in which bin was decided by the order the pool happened to arrive in - and the refit is
handed a different order from the first fit. Ordering on the remaining fields, which are in the same
cache line, makes the bin a property of the samples instead. This is why the merged intensities are
not byte-identical to the previous release on about half a percent of reflections, at a median
difference of zero and a worst case of 1.2e-2: those are the ties, whose old resolution was
arbitrary. Every fitted (a, b, ISa, chi2) in the run agrees to four significant figures.

The per-group outlier median goes the same way. It was building a vector per ASU group to hold a
handful of floats - over a million allocations, their growth and their frees, five times a run -
where the counts were already to hand from the pass above. One flat array with a per-group span
gives the identical median, since a median does not care how the multiset was laid out.

Measured together with the previous commit on a high-multiplicity rotation set: 38.3 s -> 35.1 s.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_011n8riB6X59oRjkrSHzNPAU
2026-08-23 11:52:54 -04:00
jungfrauandClaude Opus 5 c9fc46e6e2 Stop making the first pass write the files the second pass replaces
Pass 1 exists to choose the space group and post-refine the geometry. Its merged intensities are
discarded - pass 2 remakes them seconds later at the refined geometry, and that is the answer anyone
reads. It was nonetheless writing the full set of merged files at the end of every pass 1: a mmCIF
of every unique reflection (22 MB on an ordinary crystal, 48 MB on a crowded one), an .hkl, an .mtz
and the per-image scaling table, all through one thread.

Measured on an ordinary rotation set: 0.60 s of a 15 s run, and pass 2's identical block right
after it takes another 0.585 s to write the files that are kept.

The pass-2 quality guard is untouched, which is what disqualified an earlier attempt at this:
has_merge_statistics is set at the merge, well above the write, so pass 1 still reports the
completeness and CC1/2 the guard compares against. Nothing numeric moves - the same run measures
38.5 s before and 36.6 s after with a byte-identical .hkl.

Also hoist the pixel-mask accessor out of the preprocessor's per-pixel loop. It called .at() on
every pixel of the detector - 18 million bounds checks per engine, and an engine is built per worker
per pass - for a bound the loop already respects, which stopped it vectorising.

The <prefix>_01.mtz/.cif/.hkl are documented output, so this is a deliberate behaviour change: the
pre-pass result is no longer written. If it is wanted for comparison it should come back behind a
flag rather than by default.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_011n8riB6X59oRjkrSHzNPAU
2026-08-23 11:52:37 -04:00
jungfrauandClaude Opus 5 16639e9de2 Add up the profile accumulators in an order the schedule cannot change
Every accumulator in this file that could be an integer already is one, and the spot finder's
reduce_rings_shared says why: a preprocessed pixel is an exact int32, integer addition is
associative, and a threshold that moves in its last bits between runs flips every pixel sitting on
it. Four accumulators here were still floats, and they reach the intensity rather than a diagnostic.

* The radial background curve. s_radv and rad_sum sum int32 pixel values, so int64 is not an
  approximation of the old sum, it IS the old sum - and the curve is subtracted from every
  reflection's background.
* The learned profile grid and its second moments, which are sums of (px - bkg) / I over every
  strong reflection of the frame. There is no exact integer form, so these are fixed point at 2^20:
  a quantum of 1e-6 of one I-normalised pixel, far below the Poisson noise of the pixel it came
  from, and some five orders of headroom inside a signed 64-bit accumulator.
* The normalisation total in build_profiles, which divides every cell of the profile - 128 lanes on
  one address, in arrival order. Now summed as integers, exactly, from the grid it normalises.
* The fit's own reductions, s_num and s_den among them, which ARE the fitted intensity. These stay
  float, so fixed point would be a real precision trade over an unbounded range; instead each warp
  leaves its total in a slot of its own and every thread adds the slots up by warp index.
  WARP_ATOMIC_ADD is order-independent for the integer accumulators it was written for and not for
  these, which is what block_sum is for.

With the prediction ordering of the previous commit, a run is now reproducible: the same command on
the same images writes byte-identical .hkl and .mtz, at -N 1 and at -N 48, on a 16 Mpx rotation set
and on a large-cell one. Before, all four differed.

The battery is unchanged where it was ever stable: space group identical on all 24 crystals,
reflection count on 20, R_meas on 22. The two that move are the two the battery has always seen
move between runs of an unchanged binary - which is the point, since they stop moving now. Total
8m02s against 7m55s, inside the noise of per-crystal times quantised to a second.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_011n8riB6X59oRjkrSHzNPAU
2026-08-23 10:56:02 -04:00
jungfrauandClaude Opus 5 484a0e162a Give the predicted reflections an order of their own
The GPU predictors claim their output slot with atomicAdd(counter, 1), so a reflection's position
in the array is whatever order the blocks happened to finish in. That position is not private to
the predictor. BraggOwnerKey packs it into the owner map as the tie-break between two centres
equidistant from a shared pixel - the map's atomicMin is order-independent, but the number it
compares is not - and the ingest and post-refine bucket sorts, whose comparators are deliberately
not total, resolve their ties by the order they are handed.

So two runs of the same binary on the same images integrated a different set of reflections.
Measured on a large-cell rotation dataset: 63301112 observations against 63301139, and 89% of the
merged intensities differing by more than 1% of themselves, median 1.8%. Single-threaded as well as
at -N 48, which is what ruled out thread ordering and pointed here.

Order the downloaded list by (h, k, l, delta_phi) before TruncateToOutput, whose own pick is then
reproducible as well. hkl is a property of the reflection rather than of the schedule, and delta_phi
separates the two rocking solutions one hkl can have. The CPU predictors already emit in hkl order,
so the two paths now agree on it.

Sorting a 20-byte key and gathering once, rather than sorting the 88-byte reflections in place,
keeps this off the clock: on a crystal predicting some 35000 reflections a frame the run measures
52.2 s against 52.3 s before.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_011n8riB6X59oRjkrSHzNPAU
2026-08-23 10:55:37 -04:00
jungfrauandClaude Opus 5 9b1ffbaa71 Allocate a beam-stop shard's accumulators when it is first used
SetShardCount allocated and zeroed three per-pixel accumulators for every shard up front. With a
GPU present none of them is ever written - the frames are decoded and folded on the device - and on
a 16 Mpx detector eight shards are 2.9 GB to allocate and clear, measured at 0.8 s of the pre-scan
spent on memory nothing reads.

A shard now allocates on the first frame that reaches it, and the fold skips shards that never got
one.

Two things that go with it, not in the version on 2608-performance. Reduce's single-shard fast path
returns that shard directly, which is now an EMPTY projection if nothing was ever added to it,
where before it was a zeroed full-size one - and both callers index it by pixel. The fast path
therefore requires the shard to hold at least one frame; otherwise the general path builds the
zeroed projection as before. Also drops a duplicate include of ParallelFor.h.

Split out of "Find the first pass's spots on every worker", which carried it as an unrelated rider.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_011n8riB6X59oRjkrSHzNPAU
2026-08-23 08:30:17 -04:00
jungfrauandClaude Opus 5 0047d1065e Read four pixels at a time when flagging strong pixels
The ring reduction already reads its pixels four at a time; the pass that flags the strong ones
still read them one at a time, over the same image. Give it the same quad read.

The flag is a per-pixel comparison against a threshold the reduction has already fixed, so nothing
is summed here and the result is unchanged pixel for pixel, including the tail the quad read does
not cover and the masked pixels it skips.

Split out of "Find the first pass's spots on every worker" on 2608-performance, which carried it as
an unrelated rider.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_011n8riB6X59oRjkrSHzNPAU
2026-08-23 08:30:03 -04:00
jungfrauandClaude Opus 5 74e8b77a0d Stop scaling and merging what the resolution range excludes
A crystal integrated to the detector corner but merged well short of it carries observations
through the whole merge that the merge then discards. On the heaviest dataset in the rotation test
set that is 63.3 M partials of which 6.4 M are ever used: the other nine tenths are sorted,
uploaded, scaled, combined and error-modelled before anything looks at their resolution. Ingest
copied every one of them unconditionally, and the d_min limit was first applied far downstream, in
the ASU grouping.

They are now dropped at ingest, immediately after the one big sort:

- WHOLE raw-hkl runs are dropped, on the same rawrun_d the ASU grouping already tests. A
  per-observation test is not equivalent - a run is in or out today by one member's d - and using a
  different rule here would put the two out of step.
- The drop happens AFTER the flux meter, which takes each frame's mean background over every
  reflection on it, and after the sort, so neither changes.
- The compaction runs in index order, so a frame's observations stay contiguous and keep their
  order, and every per-frame sum keeps its sequence of roundings.

The incident-flux divide goes with it: it was reading one int and dividing one float across 5 GB in
a pass of its own. The per-frame mean it needs is now accumulated by the ingest fill loop - one
frame, one thread, same order, so bit-exact - and the divide rides on the finiteness pass that
already touches that field.

Ported from 2608-performance with two changes. The ingest fill loop there had been parallelised by
an earlier commit that is not being taken, so the mean background is accumulated in the serial loop
this branch still has; it is the same sum in the same order either way. And the post-refinement
sampling that commit also introduced - thinning the fit to 8 M partials by a hash of the raw hkl -
is NOT included. Every consumer of the dropped observations is gated on the ASU group, so dropping
them is a no-op for the science; thinning post-refinement is not, its own measurement puts the cell
scale breaking at 4 M against a pool of 8 to 16 M, and it makes the fit depend on how far
integration ran. That belongs to its own decision.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_011n8riB6X59oRjkrSHzNPAU
2026-08-23 08:28:35 -04:00
jungfrauandClaude Opus 5 be73288748 Fit the modulation surface on a grid that spans the detector
The detector-frame modulation correction takes its 16x16 grid extent from a pass
over every full, but the surface is fitted only on the fulls that belong to an ASU
group. Those are two different populations, and the gap between them is whatever
was integrated past the resolution the merge uses.

That made the correction's fate depend on how far integration reached. Cut it back
and the grid contracts onto the merged disc while the cell count stays the same, so
each cell holds too few reflections, the surface over-fits, and cross-validation
throws it away - correctly, on a surface that should never have been fitted at that
scale. Varying only the integration limit on one rotation dataset, merged R_meas
came out 28.4 / 33.1 / 29.0 / 32.8 / 31.7 %, and the four-point spread is entirely
the correction switching on and off: every low value is a run where it was applied,
every high value one where it was refused, with no exceptions. Nothing else moved.

The grid now spans the detector. Cells with no observations in them keep a factor of
1 and cost nothing, and with integration running to the detector corner - the default
- the grid is the one it always was, so the common case is unchanged. On a crystal
carrying no resolution limit at all it takes merged R_meas from 39.7 % to 35.5 %.

This is a correctness fix in its own right. It also has to come first: without it, any
change that narrows the integrated resolution range trips the same over-fit.

Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
2026-08-23 08:27:11 -04:00
jungfrauandClaude Opus 5 2eb9780fe2 Weight the corrected intensity, not its factors, in the shared reference
Folding the fit loop and the score loop into one reference() had to pick one of their two
spellings, and it picked the fit loop's: w * I * corr * a, where the score loop had built
Is = I * corr * a first and then summed w * Is. Those differ in the last place, and of the two
callers it is the score that decides whether a surface is kept at all - so a gate sitting on the
fence could go the other way for no reason but the order of three multiplications.

Sum w * Is, which leaves the deciding path spelled as it was and matches how the rest of this file
accumulates a weighted intensity. The fit's own reference moves by a last place instead; it is
iterated to convergence and then scored, so that is the cheaper place to absorb it.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_011n8riB6X59oRjkrSHzNPAU
2026-08-23 08:26:36 -04:00
jungfrauandClaude Opus 5 ca3ca7170e Spread the scaling corrections and the space-group search over the cores
Two thirds of a rotation run is one thread. The image loop is not the problem -
on the heaviest crystal of the battery it is 1.8 s of 40 - and neither GPU nor
CPU is saturated, because while the corrections and the space-group search run
there is one core working and 47 idle. Mean occupancy over the whole run: 3.9 of
48.

In the correction surfaces (absorption in the goniometer frame, detector-plane
modulation, absorption against time and detector position - all one function):
the per-cell accumulation, the score reduction and the final apply are now
chunked, as are the three loops that assign a full to its cell, one of which
spends a sine and a cosine per full de-rotating it into the crystal frame. Two
full sorts of four million floats went with them: only the nine bin edges are
wanted, so they are selected instead, each selection starting where the last one
left off.

The per-group pass is deliberately left serial. The terms of one group are
spread all over the list, so the only way to give a thread groups of its own is
to walk in group order, and that trades a near-sequential read of the fulls for
a random one over a few hundred megabytes - the trade that already lost once in
the combine kernel.

The space-group search scores each candidate rotation by correlating I(h)
against I(Rh) over the whole merge. Every operator it can ask about comes from a
fixed list and none of them depend on each other, so they are scored up front,
in parallel, and the search reads the cache. The scratch that stops a pair being
counted twice is now per worker rather than shared.

Worker counts are gated on how much work there is, not on how many cores the
machine has (ThreadsForWork). Both parallel helpers start a thread per chunk, so
a small dataset on a large node would otherwise pay for 48 thread starts to sum
a few thousand terms - and this runs on 8-core laptops as well as on this node.

Measured on the heaviest crystal, idle machine, two runs each, summed over both
passes: those phases go 7.88 s -> 5.19 s. Whole-run wall time is the wrong ruler
for it - it moves +-4 s between identical runs. Battery 9m45s -> 9m23s, space
group 21/24, no failures; 16 of 24 crystals bit-identical to the previous run
and the rest inside the noise floor of running one binary twice.

Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
2026-08-23 08:25:43 -04:00
jungfrauandClaude Opus 5 01b619cfd0 Take the double precision out of the box integrator's inner loops
boxsum summed its ring background in double and compared each ring pixel
against a double threshold. The pixels are integers: a sum of at most a
thousand int32 values is exact in a 64-bit integer AND exact in a double, so
the two agree bit for bit, and comparing an integer against the floor of the
threshold accepts exactly the same pixels as comparing it against the threshold
itself. Both loops now do integer arithmetic.

That was 39% of the card's double-precision pipe on the development machine and
about three quarters of it on the production one, where the double rate is
unchanged from Turing while the single rate has doubled - so this is worth more
there than here.

Alongside it, three things in the combine kernel. rr_nusable was computed by a
whole extra walk over every observation and then never downloaded or read by
anything. sum_wb and sum_cwb have no F in them, so they are the same in all
three reweights and only the last round's values are ever used - two thirds of
them were two divisions each, discarded. And CombineParams was the one
parameter struct in the file without __restrict__, so the compiler could not
assume the observation arrays and the freshly allocated fulls arrays were
distinct.

Measured on a crystal with 66 million partial observations: boxsum 12.2 s ->
8.3 s, the combine kernel 8.0 s -> 7.6 s, whole crystal 1m17s -> 1m12s. Battery
15m32s -> 9m59s. Same space group on all 24 crystals, none failed.

Two things measured and NOT kept, recorded so they are not tried again: sorting
the raw-hkl runs by length so a warp holds runs of similar length - it trades
away the locality of neighbouring runs in the permutation and came out slower
(7.6 s -> 8.8 s); and page-locking the integrator's host staging arrays
individually - eleven separate registrations of small heap allocations overlap
on shared pages and the driver refuses them.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-23 08:24:21 -04:00
jungfrauandClaude Opus 5 a8cca3e5d4 Parallelise the incident-flux divide, drop a redundant sync
DivideOutIncidentFlux was still the last fully serial pass in Ingest: a sweep
over every observation to take each frame's mean background, and another to
divide every rlp by its frame's flux. Ten gigabytes of traffic on one thread.

The per-frame means go a frame at a time rather than an observation at a time,
so each frame's running sum stays in one thread and in the order it had -
splitting by observation would cut a frame across two threads and the partial
sums would have to be recombined, which is a different sequence of roundings.
The divide is per-element and splits anywhere.

The adaptive spot finder synchronised after flagging strong pixels. The
extractor that reads those pixels runs on the same stream, so the ordering
already guaranteed the flagging had finished; the wait only idled the host,
once per image.

Measured on a crystal with 66 million partial observations: Ingest 8.5 s and
7.7 s -> 7.1 s and 6.6 s, whole crystal 1m24s -> 1m17s. Merged statistics
unchanged.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-23 08:24:16 -04:00
jungfrauandClaude Opus 5 8ae53b7fdf Say what actually makes the post-refine bucket sort reproducible
The bucketing commit justified itself with "the partials order became total in an earlier commit",
which is true of the scale/merge ingest and not of this sort: part_less ends at the image number,
so two partials of one reflection on one image tie, exactly as they did before.

Nothing is wrong with the result. The counting-sort prefix lays each bucket out chunk by chunk,
and a chunk is a contiguous span of the gathered order, so every bucket arrives at std::sort in
global gather order no matter how many threads scattered it - the order is reproducible run to run
and identical across -N. Giving Partial a rank field to make the comparator total would settle
those ties by index instead, at eight more bytes on an array that reaches tens of millions of
elements, and would change nothing anyone can observe.

So state the invariant where the comparator is, rather than leaving the next reader to trust a
claim that does not hold for this half.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_011n8riB6X59oRjkrSHzNPAU
2026-08-23 08:23:57 -04:00
jungfrauandClaude Opus 5 01d16231b3 Sort the partials and the post-refine events in buckets, in parallel
Both were one std::sort on one thread over tens of millions of elements, and
together they were a third of a crowded crystal's run.

Bucketing by h first makes them parallel. h is the comparator's leading key, so
the sorted array is exactly the buckets laid end to end, and each bucket sorts
on its own thread. In Ingest the keys are built straight into their bucket slot,
so this replaces the build pass rather than adding one and the packed-key array
is never duplicated; the extra memory is a few hundred kilobytes of histograms.
Buckets are taken largest first, because the tail of the phase is whichever
bucket finishes last.

The run split falls out of the same structure for free: a run of equal (h,k,l)
never crosses an h boundary, so each bucket counts its own runs, a scan over the
buckets gives the offsets, and the arrays are sized exactly - which also removes
the repeated growth the push_backs were paying for. The h range comes from the
finiteness pass, which already reads every observation.

The partials order became total in an earlier commit, when the observation index
was added as the last key. That is what makes this safe rather than merely fast:
the permutation is uniquely determined, so a bucket sort produces the same one a
single sort would.

Measured on a crystal with 66 million partial observations: Ingest 15.2 s and
14.3 s -> 8.3 s and 7.4 s, the post-refine event sort out of the top ten gaps
entirely, the whole crystal 2m22s -> 1m24s. Battery 15m32s -> 10m05s. Same space
group on all 24 crystals, none failed, and no crystal's R_meas moved by more
than 0.3 points.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-23 08:22:40 -04:00
jungfrauandClaude Opus 5 c1b85c7e88 Reduce within the warp before the Bragg integration atomics
fit and boxsum were 80% of GPU time on a crowded crystal - 78 s of it. Neither
was bandwidth- or occupancy-bound: both sat at about an eighth of the issue rate
the card can sustain, stalled.

What stalls them is the block-wide accumulations. Every one has all 128 lanes of
the block adding into one shared address, and a shared-memory atomicAdd on a
float or a 64-bit integer has no instruction on either Turing or Ada - it
compiles to a compare-and-swap retry loop. So those 128 lanes serialise into 128
retries, eighteen times per thread in fit. Summing across the warp first and
letting one lane do the atomic leaves four per block instead of 128.

That is the whole story: the arithmetic below was worth 2%, the atomics 5.6x.

The arithmetic is still worth having, and is what was expected to matter:
 - compute_shell ran on all 128 threads of a block for a value that belongs to
   the reflection. It is two software double-precision divisions, on a card
   whose double throughput is a thirty-second (a sixty-fourth on the production
   one) of its single. One thread does it now.
 - The Kabsch inner loop divided by the same weight three times; the compiler
   emits the whole correctly-rounded sequence each time. One reciprocal now.
   Likewise the two Gaussian widths and the profile normalisation, which are
   constant over a reflection's cells and were divided per cell.
 - boxsum read the pixel before deciding whether it wanted it. The window is the
   bounding box of an ellipse, so nearly half of it is neither the signal disk
   nor the background ring, and those slots were fetching a cache line for
   nothing.

Measured: fit 50.8 s -> 9.1 s, boxsum 27.5 s -> 12.1 s. A crowded crystal
2m22s -> 1m58s, a 16M-pixel one 39.5 s -> 37.2 s, the whole battery 12m30s ->
11m35s. Same space group on all 24 crystals, none failed.

The integer sums are unchanged - addition is associative. The float ones move in
their last bits and become more reproducible, since a fixed shuffle tree
replaces whatever order the atomics arrived in.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-23 08:22:16 -04:00
jungfrauandClaude Opus 5 52756273e1 Make the partials order total, and hoist 1/sigma out of the IRLS loop
The sort that orders every observation by (h,k,l,image_number) was not a total
order: two observations can genuinely share all four. The predictor emits BOTH
intersections of a reflection's rotation circle with the Ewald sphere, and near
the blind region - where zeta is smallest - the two are close enough in angle
that both are accepted on the same frame. Which of them came first was then
whatever the sort happened to produce.

That was observable. The combine takes on_ice from the FIRST member of a
rocking event, so the order decided whether a full was flagged as ice at all,
and its per-event sums are floating point, so it moved intensities in their
last bits. The observation's own index is now the final key, which orders them
by arrival - and, more usefully, makes the order unique, so it no longer
depends on which algorithm sorted it.

sigma never changes once it is uploaded, so 1/sigma is the same in all thirty
IRLS iterations of all three scaling iterations of all five scaling passes. It
was being recomputed every time: a 64-bit reciprocal is a hardware estimate
plus five refinement steps, and the profile put the three divisions in that
loop at 21 of its 31 double-precision instructions. It is computed once now, in
the pass that already streams every observation. The CPU has always hoisted it;
this is the GPU catching up. Same expression on the same operand, so the value
is what the loop used to compute, bit for bit.

Also: PrepScaleObsKernel is not a grid-stride loop, but the scale-fulls path
capped its grid at 65535 blocks like the grid-stride kernels around it. Above
16.8 million fulls that silently left the tail of sco_coeff/sco_ok stale. No
dataset here reaches it; the cap is simply wrong for that kernel.

And the AoS-to-SoA staging that feeds the GPU - the widest pass in Ingest,
reading an 80-byte struct and writing fourteen arrays out of it - ran on one
thread.

Full 24-crystal battery: same space group on all 24, none failed, one crystal
moved R_meas by 0.8 points with CC unchanged (it moves by that much between
runs of an identical binary). 15m32s -> 13m35s.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-23 08:22:16 -04:00
jungfrauandClaude Opus 5 594100accc Make the rotation-scale fit reproducible, and stop refining past a float
Two follow-ups to the closed-form fit.

The five per-fifth sums were reduced under a mutex, so the order in which the chunks were added
depended on which worker reached the lock first and the fitted scale moved in its last bits
between runs of the same binary. Each chunk now folds into its own slot and the slots are summed
in chunk order, which is the reduction pattern the rest of the analysis code uses. The split
ParallelChunks makes is fixed, so the sum is now the same sequence every time.

The golden section bracketed to 1e-9. The fit is narrowed to a float before it is applied, and a
float's epsilon is 6e-8, so the last ten or so iterations - each a full parallel pass over every
event - refined digits that are discarded on the next line. Bracket to 1e-7.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_011n8riB6X59oRjkrSHzNPAU
2026-08-23 08:22:00 -04:00
jungfrauandClaude Opus 5 c4c2d598d7 Fit the goniometer rotation scale in closed form
The fit has ONE parameter, and it was handed to Ceres as one residual block
per rocking event - 8 million of them on a large crystal. Each block is a
functor, an auto-diff cost function and a loss object on the heap, and the
solver then factorises an 8-million-by-one Jacobian on every iteration. It cost
13.7 s.

The residual is closed-form in k. A rotation preserves length, so |p_lab| is
|e_mid| whatever k is and only the z component moves; Rodrigues gives it
exactly:

  r(k) = C + A cos(a k) - B sin(a k) = C + R cos(a k + psi)
  C = lambda |e|^2 / 2 + u_z (u.e),  A = e_z - u_z (u.e),  B = (u x e)_z

with a the event's angle from the sweep centre. That is the same function the
functor computes - Ceres uses the exact Rodrigues form here, so there is no
small-angle branch to disagree with - and it reduces the fit to minimising a
smooth function of one variable over the interval the solver was bounded to.
It is scanned on a grid and then closed in by golden section; the objective's
curvature jumps wherever an event crosses the Huber knee, which is why this is
not a Newton iteration.

The coefficients are computed in double and stored narrowed. Their rounding
moves the minimiser by ~1e-10, and k is carried downstream as a float, so the
committed value is the same to far more digits than anything reads.

One pass over the events yields the five per-fifth partial sums, so the
all-data fit and the five leave-a-fifth-out folds share it. That matters
because the jackknife only runs when the fit is big enough to act on, and on a
crystal that trips it the old code paid for six full solves.

The partials gather ahead of it counted first and then filled instead of
growing one vector by push_back tens of millions of times, which copied the
whole thing on every doubling.

Measured: unchanged verdict and k to five decimals on the regression crystals.
Full 24-crystal battery: same space group on all 24, none failed, 15m32s ->
13m35s together with the scale/merge changes.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-23 08:20:48 -04:00
jungfrauandClaude Opus 5 c3d3161af0 Fold the beam-stop batch before its frame size changes
ShadowAccumulatorGPU::Add sized the raw buffer before closing the pending batch, and
EnsureRawCapacity assigned frame_bytes on entry. FoldPending strides `raw` by frame_bytes, so a
frame of a different size arriving mid-batch made the already-decoded frames fold with the new
stride: every pixel of the pending batch read from the wrong offset, silently, with no error. The
depth-change branch that exists to handle exactly this ran one step too late to help.

Fold first, then resize, then adopt the new stride. The batch also closes on a change of frame
size, not only of pixel mode - a batch is one layout, and the mode alone does not fix the layout.
The decoder was likewise built once from the first frame and never rebuilt, so it is now rebuilt
when the frame size changes; without that the mixed-size path this commit repairs would still
decode into a buffer of the wrong size.

Also calls Gpu() once in ShadowFinder::AddImage instead of twice - it takes and releases a mutex
each time, once per image.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_011n8riB6X59oRjkrSHzNPAU
2026-08-23 08:20:37 -04:00
jungfrauandClaude Opus 5 ddf625d833 Decode and accumulate the beam-stop projection on the GPU
The pre-scan decompressed its frames on the host and folded them into a
per-pixel projection there. On a 16M-pixel detector that is 60 frames of 72 MB
to decompress and 20 bytes per pixel to read and write back per frame - about
40 GB of memory traffic - and it was the whole cost of the phase once the mask
was no longer the bottleneck.

Only the compressed chunk crosses PCIe now. BSLZ4DecoderGPU already exposes the
raw decoded bytes (Decode(), the path its own tests use), which is what this
needs: the projection is defined on the RAW STORED COUNTS with the pixel type's
sentinel skipped, not on the preprocessed image, so nothing here goes through
the preprocessor. Sums, maxima and counts are integers, so the device result is
identical to the host's rather than merely close.

Frames are folded in batches of four. The fold reads and writes the whole
accumulator whatever the batch holds, so per frame it was spending most of the
bandwidth on the accumulator rather than on the data; four is where that stops
mattering, and every frame beyond it is another full frame of device memory,
which costs more in cudaMalloc - device-synchronizing - than it saves.

The accumulator is built on a thread of its own. It allocates and clears
several hundred megabytes, and doing that in the constructor stalled the caller
before it had read its first frame.

Frames the device cannot take - anything but bitshuffle+LZ4 - still go to a host
shard, so a run mixing compressions needs no second code path, and a build
without CUDA is unchanged.

RotationScaleMergeGPU set the CUDA device in its constructor and never put it
back. CUDA's current device is per-thread, so that silently re-pinned the
calling thread for the rest of its life, and the destructor freed several
gigabytes against whatever device happened to be current by then - CudaDevicePtr
records no device of its own. Every entry point now sets the device on entry and
restores it on exit.

ParallelFor/ParallelChunks moved to common/ParallelFor.h; two files had copies
and a third wants them.

Measured on a 16M-pixel rotation dataset: pre-scan 4.78 s -> 2.37 s -> ~2.0 s,
shadow unchanged at 139126 pixels (22143 on a 2M-pixel dataset). Full 24-crystal
battery: same space group on all 24, none failed, 15m32s -> 14m49s.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-23 08:19:20 -04:00
leonarski_fandClaude Opus 5 83b33e19ee Give each FFT direction a block and its histogram shared memory
Cherry-picked from 2608-performance, restricted to the indexer: the same commit there also hoists a
reciprocal out of a loop in the scaling code, which is not being touched on this branch.

The histogram bins are unsigned integers and the counts stay below 2^24, so they convert to float
exactly - the vote is bit-identical, and the indexing result with it.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01VfYvJT5Nb71suJCowRBn5z
2026-08-23 13:12:49 +02:00
jungfrauandClaude Opus 5 20ef59205b Build the GPU engines a worker never uses on first use, not always
Every worker thread built a full set of analysis engines. Two of them are never
asked for on the offline path: the fixed-threshold spot finder, because
detection is adaptive by default, and the azimuthal integrator, because the
fused adaptive finder produces the profile as a by-product. They are still
needed elsewhere - the broker defaults to non-adaptive detection, and
--no-adaptive-spots asks for the finder - so they are built on first use rather
than removed. A lazily built finder takes the current resolution mask on
construction; without that it would find spots outside the limits it was never
told about.

The bitshuffle decoder sized its output buffer for the widest pixel type there
is rather than the one the images actually have, holding a second full frame per
worker on 16-bit data. It is sized from the image now and grows if a later frame
needs more.

The shared-table checksum runs over eight interleaved lanes. FNV's multiply is a
loop-carried dependency, so one chain retires a byte every few cycles whatever
memory bandwidth is spare, and every worker hashes tens of megabytes of geometry
tables as it builds its engines - about 5% of all CPU samples on a 16M-pixel
detector.

Measured on a 16M-pixel rotation dataset: cudaMalloc 11314 -> 9474 calls and,
with cudaFree, 117 s -> 78 s of aggregate thread time; both synchronise the
whole device, so that time is spent blocking every other worker. Whole battery
15m32s -> 12m30s.

Data quality against main, over 24 crystals and eight statistics each: the same
space group on all 24, and every difference smaller than what two runs of an
IDENTICAL binary produce (measured: 13 of 24 crystals reproduce exactly run to
run, worst R_meas swing 5.5 points, against 4.6 points for main vs this branch).
The float atomics in the reductions have always made this so.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-23 13:12:36 +02:00
jungfrauandClaude Opus 5 495e2d752d Read four pixels at a time in the ring reduction
reduce_rings_shared was 69% of all GPU kernel time - 116.8 s of a 70 s run
across four cards. It is not bandwidth bound: flag_strong streams the same two
arrays through the same grid-stride loop and reaches 196 GB/s, while this
reached 30. The difference is the shared-memory atomics. Lanes in a warp read
consecutive pixels along a detector row, a ring is a few pixels wide, so most of
a warp lands in a handful of rings and the atomics to each one serialise.

Two changes.

The block reads four pixels per thread as one 16-byte and one 8-byte
transaction, and merges the ones that fall in the same ring in registers before
touching shared memory. Consecutive pixels usually DO share a ring, so this is
where the win is: a run costs one set of atomics instead of one per pixel.
npix is not guaranteed to be a multiple of four - it is width x height on the
converted path, and detectors are not obliged to be even - so the vector loop
stops short and a scalar loop finishes the remainder. Reading past the end would
not fault, which is worse than if it did: it would fold uninitialised device
memory into the accumulators and move the detection threshold in a way that does
not reproduce.

And the grid is sized from the occupancy the device reports, per pass. The two
passes have different shared footprints - the first carries the corrected rings
as well - so they do not fit the same number of blocks, and a grid sized for one
left the other running a second wave at a quarter occupancy. The comment that
justified the old grid reasoned from 1536 threads per SM, which is an Ada
number; the card it ran on holds 1024.

The run totals are still exactly what they were. The accumulators are unsigned
64-bit, so summing a run in a register and adding it once is the same value as
adding each pixel separately - addition mod 2^64 is associative, overflow
included - which is what keeps the ring statistics, and therefore the detection
threshold, independent of how the work was grouped. That is the property the
integer accumulators exist for. (The run accumulators are unsigned for the same
reason: signed overflow would be undefined, and four squares of a large pixel
value reach 2^64.) The corrected float sums, which feed the reported profile
rather than any decision, change in their last bits as they already did between
runs.

Measured on a 16M-pixel rotation dataset: the kernel 116.8 s -> 19.1 s (6.1x),
no longer the largest; the whole run 70 s -> 39.5 s. Full 24-crystal battery:
same space group on all 24, none failed, 15m32s -> 12m47s.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-23 13:12:36 +02:00
jungfrauandClaude Opus 5 670831bad4 Stop allocating GPU and pinned memory nothing reads
Three resource fixes and two latent bugs, none of which changes a computed
number.

The preprocessed image has a host copy that only a CPU engine ever reads. On
the GPU path every engine reads the device buffer instead, and rugnux always
runs the fused adaptive finder, so that host copy is allocated, zeroed and
PAGE-LOCKED for nothing - 72 MB per worker, 3.5 GB over 48 of them, and a
cudaHostRegister each, which the driver serializes. It is now skipped by the
same condition that already decides whether the device copies the image back.
ImagePreprocessorBuffer keeps the pixel count separately so size() still
answers when the mirror was not allocated.

ROIIntegrationGPU asked device 0 for the SM count it sizes its grid from, while
workers are pinned round-robin across the GPUs - so on a multi-GPU node it
could size a grid from a card it never launches on. It asks the current device
now, like every other engine.

~CudaRegisteredVector called a function that throws out of a destructor, and
the move-assignment did the same from a noexcept function. Either would abort
the process rather than report the failure, and teardown - after a device
reset, or while another exception unwinds - is exactly where cudaHostUnregister
fails. Both now use an unchecked unregister, as every other destructor in that
header already does for its own teardown call. The throwing form stays for
rebind()/unregister(), which are called from live code.

Measured on a 16M-pixel rotation dataset: unchanged space group, merged
reflection count and merging statistics.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-23 13:12:36 +02:00
leonarski_fandClaude Opus 5 b74d8f8545 Give ParallelFor a home and a test
The two shapes - a fixed contiguous split, and work stealing off an atomic - had been copied into
whichever file wanted them: an anonymous namespace in RotationScaleMerge.cpp, and another, byte for
byte the same, in ShadowFinder.cpp, whose comment claimed it was "the only other file that wants
it". The header is taken from the beam-stop GPU commit on the performance branch, which is not
otherwise being picked.

ShadowFinder now uses it, so the construct is exercised rather than shipped unused, and its own copy
is gone. The beam-stop mask is unchanged, which its reference count already pins.

Tested for the properties the callers rely on and which are easy to lose in a rewrite: the chunked
slices tile the range in order with no empty one, work stealing visits every item exactly once, one
thread means the caller's loop in order, an empty or negative count does nothing, an exception in a
worker reaches the caller, and - the point of the whole thing - the answer is the serial answer bit
for bit at every thread count.

RotationScaleMerge.cpp keeps its own copy for now; consolidating it belongs with the scaling work,
which is not being touched here.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01VfYvJT5Nb71suJCowRBn5z
2026-08-23 13:05:31 +02:00
jungfrauandClaude Opus 5 996cd20106 Make the beam-stop mask O(pixels) and parallel
GetMask() was 3.28 s of the 4.78 s pre-scan on a 16M-pixel detector, all on
one thread. Four changes, none of which alters the mask:

dilate() was a multi-source BFS. On a full rectangle with no obstacles the
8-connected graph distance IS the Chebyshev distance - a path stepping towards
the target never has to leave the frame - so the result is a dilation by the
(2r+1) square clipped to the frame, which separates into a pass along x and a
pass along y. That is O(1) per pixel whatever r is, with no queue and no
4-bytes-per-pixel distance array (72 MB, allocated and filled five times per
call). The erode() case is the one that hurt: it dilates the COMPLEMENT, so on
a detector whose shadow is under 1% of the pixels it seeded the BFS from
essentially every pixel.

fill_holes() floods the background from the border. It now floods the bounding
box of the region grown by one: everything outside that box is background and
the box's own ring is background, so the whole outside is one border-connected
component and a background pixel inside the box is border-connected exactly
when it reaches the ring.

The three baseline iterations re-binned every pixel by radius and re-took a
median each time. The iteration only ever excludes pixels whose background is
below a cut, and dividing by a positive baseline is monotone, so a ring's
excluded pixels are exactly its lowest ones and the next median is an order
statistic of the same, unchanging ring. The rings are binned and sorted once;
each iteration then picks a rank and counts a prefix. Nine full-image passes
become one.

box_sum's vertical pass walked one column at a time, striding a whole row per
step and missing on every access; it now carries a strip of columns together.
Each row's and each column's running sum keeps its terms in its order, so the
floating-point rounding is unchanged - only the traversal differs. The pooled
COUNT is a count of at most 25 pixels, so it is an exact integer box sum now
rather than a floating-point one; the background itself stays in double,
because its running sum adds and subtracts across a whole row and in float the
two roundings would not cancel.

The per-pixel passes then run on all threads, and GetMask takes a thread count.

Measured on a 16M-pixel rotation dataset: GetMask 3.28 s -> 0.99 s, whole
pre-scan 4.78 s -> 2.37 s, whole run 1m10s -> 1m03s. The mask is unchanged on
both a 16M and a 2M-pixel dataset (139126 and 22143 shadow pixels), as are the
space group, the merged reflection count and the merging statistics.

Also corrected the comment on erode(): the dilation cannot seed outside the
frame, so outside behaves as foreground, not as complement.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-23 12:50:12 +02:00
jungfrauandClaude Opus 5 51c628af3b Parallelize the beam-stop pre-scan
The pre-scan read its sample of frames in a plain serial loop: one thread
did the HDF5 read, the decompression and the full-detector accumulation for
every frame. The cost is fixed per frame rather than per dataset, so it grew
straight with detector area - measured at 0.9 s on a 2M-pixel detector and
7.9 s on a 16M-pixel one, where it was 11% of the whole run with 47 of 48
cores idle.

Frames are now read on several workers. ShadowFinder keeps one projection per
worker so nothing is locked while an image is added, and the projections are
summed when the mask is read; the sums and counts are integers, so the result
does not depend on how the frames were spread over the workers. A shard that
never counted a pixel is skipped when the maxima are merged - it holds 0,
which would otherwise beat a genuinely negative maximum.

Worker count is capped (PRESCAN_MAX_WORKERS): a shard costs 20 bytes per
pixel, and the accumulation is memory-bound, so a handful of workers already
saturates it.

The beam-centre spot pool is stitched together in sample order after the
workers join, so frame numbering and the spot list are what the serial read
produced regardless of how the workers interleaved. A frame still joins the
pool only if it could be read.

ShadowFinder::AddImage took its decompression scratch buffer BY VALUE, so the
caller's buffer stayed empty and every frame allocated and zero-filled a fresh
full-size uncompressed image (72 MB on a 16M-pixel detector) and freed it
again. It takes a reference now, and each worker reuses one buffer.

Measured on a 16M-pixel rotation dataset: pre-scan 7.9 s -> 4.8 s, whole run
69.2 s -> 65.1 s. Results are unchanged - same shadow pixel count, same space
group, same merged reflection count and merging statistics on both a 16M and a
2M-pixel dataset, and the beam-centre path still commits the same centre.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-08-23 12:50:07 +02:00
leonarski_f 538f3504d3 v1.0.0.rc-161 (#71)
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This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use.

* **rugnux: significantly better quality of results, and faster.** A large rework of integration, scaling, merging, geometry refinement and space-group determination, together with measurements the program previously made no attempt at - the direct beam before indexing, the beam stop, the goniometer rotation scale, and the stretches of a sweep the crystal did not deliver. A rotation dataset typically gains observations at better <I/sigma> and R_meas, and every `mx` and `scale` run writes a `<prefix>_report.txt` results report modelled on XDS's `CORRECT.LP`. Many defaults moved with it: spot detection is self-calibrating, beam-stop detection and rotation geometry post-refinement are on, resolution limits default to as far as the detector reaches, and ice-ring handling engages only where the crystal is measured to have ice.
* **jfjoch_viewer:** the beam-stop shadow, the detector calibration and the beam-centre measurement are reachable from "Analyze dataset"; the settings panel reports how the sample moved and how polarized the beam was; image rendering and interaction are faster.
* **Performance:** bitshuffle+LZ4 images are decoded on the GPU rather than on the host, with the bitshuffle inverse fused into preprocessing so the decompressed frame is never held in device memory.
* **Broker, writer, packaging and build:** image-slot lifetime and locking fixes, per-image datasets sized by the images actually written, the Debian/Ubuntu broker package renamed to `jfjoch`, and `image_analysis` compiling under MSVC again.

**Breaking change to the rugnux command line:**
* `--azint-only` and `--scale` are **removed**, replaced by `--mode azint` and `--mode scale`; the full pipeline is `--mode mx` and remains the default. A script passing the old flags now fails with the list of valid modes rather than silently running the wrong one.
* `-t`/`--stride` is **refused on rotation data**: skipping frames cuts every reflection's rocking curve, so the combined fulls and their partiality would be measured over frames the sweep never recorded. Select a contiguous range with `-s`/`-e` instead. `--mode azint` and `--force-still` still take a stride.

**Breaking changes to OpenAPI** - regenerate the client (`jfjoch-client` 1.0.0-rc.161, `frontend/src/client`) or read the affected fields as optional:
* `image_scale_b` is removed from the `plot_type` enum, so a client requesting that plot now gets an error rather than a curve.
* `azim_int_settings.high_q_recipA`, `spot_finding_settings.high_resolution_limit` and `spot_finding_settings.low_resolution_limit` are no longer `required`. All three mean "no limit at that end" when unset and are omitted from the response instead of carrying a placeholder value, which raises in a client generated from an rc.160-or-earlier spec. A value of 0 is still accepted and means the same thing.

**Breaking changes to the stored formats** - a consumer reading these fields must treat them as optional:
* The per-image image-scale B factor is no longer computed, so `/entry/MX/imageScaleBFactor` is absent from newly written HDF5 files and the corresponding key is absent from the CBOR DataMessage and END blocks. Files written by rc.160 and earlier still contain it and still open; nothing in the pipeline reads it any more.
* `_reflns.jfjoch_diffrn_ISa` now carries the whole-range `1/sqrt(a*b)` that XDS's ISa denotes, and the error-model `a` and `b` are reported in XDS's convention; the strong-reflection asymptote moves to `_reflns.jfjoch_diffrn_ISa_asymptotic`. **A file written by an earlier version carries the asymptote under the plain `ISa` name.**

Reviewed-on: #71
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-08-13 17:03:10 +02:00
leonarski_f 67dca388bd v1.0.0-rc.160 (#70)
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This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use.

* rugnux: Add `--model model.pdb` - score the merged data against an atomic model and compute initial maps. It reports R-work/R-free (scaling the model to the observed amplitudes with an overall scale, an anisotropic B and a flat bulk solvent - the standard few-parameter model, so a batch of maps stays directly comparable) and writes 2Fo-Fc / Fo-Fc electron-density maps (CCP4) plus a map-coefficient MTZ. The structure itself is not refined; the model is only re-fractionalised into the data cell.
* rugnux: The merged reflection output now carries French-Wilson amplitudes (|F| and its sigma) next to the intensities - MTZ `F`/`SIGF`, mmCIF `_refln.F_meas_au`, and the text HKL - computed with the correct centric/acentric Wilson prior and epsilon multiplicity, so a downstream program (e.g. phenix.refine) can refine against amplitudes. The intensity columns are unchanged.
* rugnux: R-free test-set flags are now assigned deterministically and consistently across symmetry - a Bijvoet pair I(+)/I(-) is never split between the work and free sets, and the assignment is a reproducible per-hkl hash that depends only on the reflection index, so every dataset of one crystal form gets the same ~5% free set (what a multi-dataset campaign such as PanDDA needs). On small data the fraction is floored so the test set stays large enough for a stable R-free (~500 reflections, capped at 10%); it stays flat at 5% on ordinary data. When a reference MTZ carries a `FreeR_flag` column its test set is imported instead, letting a whole campaign inherit one shared free set.
* rugnux: A reference MTZ (`--reference-mtz`) can now fix the space group and cell for rotation data too (previously rejected), without being used to scale - the rotation merge stays self-consistent. When the crystal has an indexing (merohedral) ambiguity - a lattice symmetry higher than its Laue symmetry, e.g. P3/P4/P6/C2 - the reference also resolves it: each candidate reindexing (identity plus the twin-law cosets of the metric symmetry) is scored by its intensity correlation against the reference and the data are re-merged in the best-correlating one. This is a metric-preserving relabelling of hkl (the cell is unchanged) and a no-op for a holohedral crystal such as lysozyme.
* rugnux: `--model` validation now aligns the data to the model before scoring - the observed reflections are reindexed into the model's enantiomorph when the two differ only by hand (indistinguishable from merged intensities). A merohedral indexing ambiguity is resolved against the reference MTZ when one is given (so a whole campaign shares one indexing convention); only with a model and no reference does validation fall back to fitting each candidate reindexing and keeping the lowest R-free.
* rugnux: De-novo symmetry - recover a genuine high-symmetry group whose data are imperfectly scaled. Such a merge's within-orbit chi² lands just past the self-consistency bound (each real symmetry step adds a little systematic scatter), right where a merohedral twin also lands, so the chi² ratio alone cannot separate them. The candidate is now rescued when the extra intensity-proportional systematic error it invokes stays small relative to the confirmed subgroup - a genuine symmetry step gains multiplicity without inflating the merge error model's b, whereas a twin forces non-equivalent reflections together and b balloons. Fixes cubic insulin (I23 instead of I222) with no change to any other crystal in the test battery, including the twins that must stay in their lower symmetry.
* Docs: Document the French-Wilson amplitude estimation, R-free flagging, reference-based space-group/ambiguity resolution, and model-based validation/maps in CPU_DATA_ANALYSIS.md.
* Frontend: The status-bar pill now shows a progress bar during detector calibration (previously only during measurement), and the calibration state and its button are labelled "Calibration"/"CALIBRATE" (the internal `Pedestal` state name is unchanged for back-compatibility).Reviewed-on: #70

Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-07-19 09:39:28 +02:00
leonarski_f dd0bffb283 v1.0.0-rc.159 (#69)
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This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use.

* rugnux: Add `--model model.pdb` - score the merged data against an atomic model and compute initial maps. It reports R-work/R-free (scaling the model to the observed amplitudes with an overall scale, an anisotropic B and a flat bulk solvent - the standard few-parameter model, so a batch of maps stays directly comparable) and writes 2Fo-Fc / Fo-Fc electron-density maps (CCP4) plus a map-coefficient MTZ. The structure itself is not refined; the model is only re-fractionalised into the data cell.
* rugnux: The merged reflection output now carries French-Wilson amplitudes (|F| and its sigma) next to the intensities - MTZ `F`/`SIGF`, mmCIF `_refln.F_meas_au`, and the text HKL - computed with the correct centric/acentric Wilson prior and epsilon multiplicity, so a downstream program (e.g. phenix.refine) can refine against amplitudes. The intensity columns are unchanged.
* rugnux: R-free test-set flags are now assigned deterministically and consistently across symmetry - a Bijvoet pair I(+)/I(-) is never split between the work and free sets, and the assignment is a reproducible per-hkl hash that depends only on the reflection index, so every dataset of one crystal form gets the same ~5% free set (what a multi-dataset campaign such as PanDDA needs). On small data the fraction is floored so the test set stays large enough for a stable R-free (~500 reflections, capped at 10%); it stays flat at 5% on ordinary data. When a reference MTZ carries a `FreeR_flag` column its test set is imported instead, letting a whole campaign inherit one shared free set.
* rugnux: A reference MTZ (`--reference-mtz`) can now fix the space group and cell for rotation data too (previously rejected), without being used to scale - the rotation merge stays self-consistent. When the crystal has an indexing (merohedral) ambiguity - a lattice symmetry higher than its Laue symmetry, e.g. P3/P4/P6/C2 - the reference also resolves it: each candidate reindexing (identity plus the twin-law cosets of the metric symmetry) is scored by its intensity correlation against the reference and the data are re-merged in the best-correlating one. This is a metric-preserving relabelling of hkl (the cell is unchanged) and a no-op for a holohedral crystal such as lysozyme.
* rugnux: `--model` validation now aligns the data to the model before scoring - the observed reflections are reindexed into the model's enantiomorph when the two differ only by hand (indistinguishable from merged intensities). A merohedral indexing ambiguity is resolved against the reference MTZ when one is given (so a whole campaign shares one indexing convention); only with a model and no reference does validation fall back to fitting each candidate reindexing and keeping the lowest R-free.
* rugnux: De-novo symmetry - recover a genuine high-symmetry group whose data are imperfectly scaled. Such a merge's within-orbit chi² lands just past the self-consistency bound (each real symmetry step adds a little systematic scatter), right where a merohedral twin also lands, so the chi² ratio alone cannot separate them. The candidate is now rescued when the extra intensity-proportional systematic error it invokes stays small relative to the confirmed subgroup - a genuine symmetry step gains multiplicity without inflating the merge error model's b, whereas a twin forces non-equivalent reflections together and b balloons. Fixes cubic insulin (I23 instead of I222) with no change to any other crystal in the test battery, including the twins that must stay in their lower symmetry.
* Docs: Document the French-Wilson amplitude estimation, R-free flagging, reference-based space-group/ambiguity resolution, and model-based validation/maps in CPU_DATA_ANALYSIS.md.
* Frontend: The status-bar pill now shows a progress bar during detector calibration (previously only during measurement), and the calibration state and its button are labelled "Calibration"/"CALIBRATE" (the internal `Pedestal` state name is unchanged for back-compatibility).Reviewed-on: #69

Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-07-13 13:54:03 +02:00
leonarski_f 451310f43d v1.0.0-rc.158 (#68)
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This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use.

* Analysis: The azimuthal-integration solid-angle correction now follows the incidence angle to the detector normal (`cos^3` of that angle) instead of `cos^3(2*theta)`, so it is correct for a tilted detector and matches PyFAI `solidAngleArray` and MAX IV azint (unchanged for an untilted detector). Crystal geometry refinement (`XtalOptimizer`) no longer silently ignores an imported PONI `rot3` (rotation about the beam): it is applied as a fixed rotation in the residual so refinement stays consistent with the rest of the pipeline. Polarization and azimuthal binning already honoured `rot3` through the full PONI rotation.
* jfjoch_viewer: Open datasets on the WSL2/UNC filesystem (paths starting `\\`); write processing outputs next to the input file, with a Browse button and independent `_process.h5` / merged `.mtz`/`.cif` toggles; and show the determined space group in the merge-statistics window.
* rugnux: Accept an absolute `-o` output prefix in offline processing.
* Packaging: The self-contained Linux viewer `.tgz` now bundles cuFFT, so it runs without a system CUDA toolkit (`.deb`/`.rpm` are unchanged, distro-managed).
* Docs: Bring the analysis references up to date with the code. `docs/CPU_DATA_ANALYSIS.md` now reflects the unified profile-fit Bragg integration engine, multi-lattice indexing, azimuthal phi binning, the radial parallax/bandwidth profile with sub-pixel centring, the rot3d capture-fraction handling and the automatic CC1/2 resolution cutoff, and drops the descriptions of features that were never implemented (French-Wilson amplitudes, the still excitation-error partiality model); `docs/RUGNUX.md` documents the new `--resolution-cutoff`/`--resolution-cc-target`/`--resolution-shells`, `--min-captured-fraction`, `--mosaicity`, `--reference-column`, the azimuthal correction toggles and the geometry-override options, and corrects the `-N` default. The outdated in-source design notes (ICE_RING_DETECTION, BRAGG_INTEGRATION_ENGINE, NEXTGEN_INTEGRATOR) are removed.Reviewed-on: #68

Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-07-12 19:42:29 +02:00
leonarski_f 54c0100e8e v1.0.0-rc.157 (#67)
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This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use.

* rugnux: Rebrand the offline data-processing subsystem as `rugnux` and consolidate all offline analysis into the single `rugnux` binary - `jfjoch_process` is now `rugnux`, the former `jfjoch_azint` is now `rugnux --azint-only`, and `jfjoch_scale` is now `rugnux --scale` (see the new docs/NAMING.md and docs/RUGNUX.md). Scaling and merging are on by default for rotation and stills (`--no-merge` disables them), replacing the previous opt-in `-M, --scale-merge`.
* rugnux: CLI fixes - default `-N` to all hardware threads, parse numeric option arguments strictly (reject non-numeric or trailing input instead of silently yielding 0), require `--wavelength > 0`, and correct the reproduced command line and `--scale` reference-cell handling.
* rugnux: De-novo space-group improvements - recover genuine high symmetry and centred Bravais lattices from intensities, add an automatic CC1/2 high-resolution cutoff, and report L-test twinning statistics.
* rugnux: Index weakly-diffracting low-resolution rotation data that previously failed (e.g. F-cubic crystals that diffract only to ~4 A on a detector reaching ~1.5 A). The per-frame indexing gate now measures the indexed fraction only within the resolution range the lattice actually diffracts to, so the many sub-diffraction ice/noise spots no longer make the fraction floor unreachable; the two-pass first pass tries several image-sampling schemes (spread across the whole rotation vs a consecutive wedge whose native stride keeps a reflection's rocking curve continuous, letting the FFT resolve a long axis) and keeps the one that indexes the most frames; and the de-novo space-group search no longer discards all reflections (and crashes) when every resolution shell falls below <I/sigma> = 1.
* rugnux: Lower the low-resolution R-meas for strongly-diffracting rotation data - drop edge-of-sweep truncated fulls whose rocking curve was captured below `--min-captured-fraction` (default 0.7 for rotation), and report R-meas only over the observations kept by outlier rejection (matching XDS). The 0.7 default also strips the partiality-extrapolated fulls that dominate the intensity second moment on weakly-diffracting crystals, so the de-novo space-group search is no longer starved by the error-model I/sigma floor and recovers the correct symmetry (e.g. the F-cubic Benas crystals: Benas_3 -> F432, Benas_7 -> P6122, instead of P4/P1); on the reference battery every other crystal keeps its space group.
* rugnux: Write the refined geometry (beam, tilt, axis) to _process.h5 and place non-standard mmCIF items under a reserved `jfjoch` prefix.
* jfjoch_broker: Ordinary acquisition failures (receiver/writer/analysis problems, missed packets, writer disconnect) now return to the Idle state with an Error-severity message, so a run can be retried without an expensive re-initialisation; only failures that leave the detector in an undefined state (new JFJochCriticalException, e.g. PCIe/FPGA faults) go to the Error state and force re-initialisation.
* jfjoch_broker: A synchronous /start now reports its failure to the HTTP caller instead of returning HTTP 200, and an incomplete or truncated dataset (missing packets, writer disconnect) is reported as an error rather than a "reduce frame rate" warning.
* jfjoch_broker: Drop uncollected placeholder rows (number = -1) from the scan_result REST endpoint.
* jfjoch_broker: Fix the inverted per-image compression ratio reported by the Lite receiver (was compressed/uncompressed instead of uncompressed/compressed).
* jfjoch_broker: Bragg integration adds a quantization-noise variance floor with a box-sum fallback, and treats the type-maximum marker as an invalid pixel for unsigned image types.
* jfjoch_writer: Detect file-overwrite conflicts at start for back-channel transports, and reset the writer when end-of-collection finalisation fails.
* jfjoch_viewer: Preview overlays follow the geometry (resolution/ROI arcs, true beam centre, predictions, coral secondary-lattice spots, legend), add save-as-JPEG, and fix an HTTP live-follow memory leak.
* Frontend: Improved aesthetics and usability, and added in-browser pixel-mask and JUNGFRAU-pedestal visualisation.
* CI: Name the Windows installer jfjoch-viewer-* instead of jfjoch-*.Reviewed-on: #67

Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-07-11 07:19:11 +02:00
leonarski_f d6389e12da v1.0.0-rc.156 (#66)
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This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use.

* jfjoch_process: Major rotation (rot3d) data processing overhaul - robust profile-fit integration, Cauchy-loss scaling with optional absorption surface, de-novo indexing and space-group/centering determination fixes, and merging statistics + ISa in the mmCIF output.
* jfjoch_process: Add EXPERIMENTAL ice-ring detection (--detect-ice-rings) that excludes ice reflections from scaling.
* Compression: Add BSHUF_ZSTD_RLE_HUFF, make compression size-aware (drop frames that don't fit rather than aborting), and add the jfjoch_recompress tool.
* jfjoch_viewer: Report "Multiple lattices detected" and grey out "Analyze dataset" on a live connection.
* jfjoch_broker: Write smargon chi/phi goniometer positions to NXmx; read sensor thickness/material from HDF5 metadata.
* CI: Build Windows (CUDA and non-CUDA) installers.Reviewed-on: #66

Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-07-03 19:18:56 +02:00
leonarski_f 54c667190f v1.0.0-rc.155 (#65)
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This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use.

* jfjoch_process: Remove pixelrefine option (replaced with ProfileIntegrate2D)
* jfjoch_viewer: Some graphical improvements.
* jfjoch_viewer: Simplify und unify data analysis settings.
* jfjoch_writer: Add TCP keepalive to increase robustness if jfjoch_broker "dies" in the middle of data acquisition.

Reviewed-on: #65
2026-06-25 22:01:48 +02:00
leonarski_f 75e401f0e5 v1.0.0-rc.153 (#63)
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This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use.

* jfjoch_broker: Add EXPERIMENTAL pixelrefine mode for image processing
* jfjoch_broker: Allow to load user mask from 8-bit and 16-bit TIFF files
* jfjoch_broker: Add ROI calculation in non-FPGA workflow
* jfjoch_broker: Fixes to TCP image pusher
* jfjoch_broker: Remove NUMA bindings
* jfjoch_broker: Improvements to indexing
* jfjoch_broker: For PSI EIGER, trimming energies are taken from the detector configuration (now compulsory) instead of hardcoded values
* jfjoch_writer: Save ROI definitions and the per-pixel ROI bitmap in the master file; azimuthal ROIs support phi (angular) sectors
* jfjoch_viewer: Major redesign with dockable panels and saved layouts, plus on-canvas creation/move/resize of box, circle and azimuthal ROIs
* jfjoch_viewer: Run jfjoch_process reprocessing jobs from inside the GUI and overlay per-run results

Reviewed-on: #63
2026-06-23 20:29:49 +02:00
leonarski_f 90e804acd7 v1.0.0-rc.150 (#60)
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* jfjoch_broker: When in FPGA workflow (with PSI detectors) azimuthal integration might be forced to CPU - this will require more computational power, but it enables more integration bins and reports standard deviation of each bin.
* jfjoch_broker: Raise error if one is in FPGA flow and there are too many azimuthal integration bins.

Reviewed-on: #60
2026-06-15 20:24:15 +02:00
leonarski_f cc3eb8352c v1.0.0-rc.148 (#58)
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This is an UNSTABLE release. The release has significant modifications for data processing - in case of troubles go back to 1.0.0-rc.144.

* jfjoch_broker: Improve azimuthal integration (add <I^2> calculation)
* jfjoch_broker: Fixes around indexing, aiming to handle multi-lattice crystals (work in progress, it is not fully integrated)
* jfjoch_writer: Save mean(I), stddev(I), and count(I) for each azimuthal bin

Reviewed-on: #58
2026-06-08 08:30:35 +02:00
leonarski_f 75de40f52b v1.0.0-rc.147 (#57)
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This is an UNSTABLE release. The release has significant modifications for data processing - in case of troubles go back to 1.0.0-rc.144.

* jfjoch_viewer: Add reciprocal space viewer
* jfjoch_process: Two pass algorithm that does spot finding/indexing + integration of full dataset
* jfjoch_process: Improve logic for rotation indexer, to make execution more deterministic (still work in progress)

Reviewed-on: #57
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-06-02 11:49:24 +02:00
leonarski_f fc68a9baed v1.0.0-rc.146 (#56)
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This is an UNSTABLE release. The release has significant modifications for data processing - in case of troubles go back to 1.0.0-rc.144.

jfjoch_process: Generate a dedicated file (_process.h5), which can be used as a replacement for the _master.h5 file for a reanalyzed dataset.
jfjoch_process: Improve the performance of scaling and merging, implement on the fly scaling.
jfjoch_writer: All final data analysis results are repopulated in the _master.h5 file.
jfjoch_scale: Dedicated tool for rescaling/merging existing data.
jfjoch_viewer: Fix bugs where pixel labels where displayed on a wrong pixel.

WARNING! Scaling and merging are experimental at the moment, and may not provide reasonable results for the time being.

Reviewed-on: #56
2026-05-28 18:48:35 +02:00
leonarski_f 87fde1b32e v1.0.0-rc.142 (#52)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

* Support for newer CUDA architectures (notably Blackwell); minimum CUDA version 12.8
* Minor changes to jfjoch_process, jfjoch_fpga_test and jfjoch_lite_perf_test to make them more consistent

Reviewed-on: #52
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-04-30 16:47:53 +02:00
leonarski_f d760b12a18 v1.0.0-rc.141 (#51)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

* jfjoch_broker: Azimuthal integration mapping is generated with parallel computations, significantly reducing setup times
* frontend: Fix selection of FFTW in indexing settings

Reviewed-on: #51
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-04-30 13:04:54 +02:00
leonarski_f 239a441ee6 v1.0.0-rc.140 (#50)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

* jfjoch_broker: For DECTRIS detectors, ZeroMQ link is persistent, to save time for establishing new connection
* jfjoch_broker: Minor bug fixes for rare conditions

Reviewed-on: #50
2026-04-29 21:40:22 +02:00
leonarski_f 4878318c27 v1.0.0-rc.139 (#49)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

* jfjoch_broker: Further reduce startup time for DECTRIS detectors by selectively modifying SIMPLON parameters on `/start`
* jfjoch_broker: Further reduce startup time for DECTRIS detectors by not setting beam center and detector distance via SIMPLON API on '/start'
* jfjoch_broker: Add an extra message to ZeroMQ puller ready to monitor Lite worklow preparation time
* jfjoch_broker: Image buffer configuration is postponed for Lite receiver flow till start message is received
* jfjoch_broker: Use nanoseconds internally for frame/image/readout time
* jfjoch_broker: Extra messages added for receiver operation (to be removed after debugging finished)
* jfojch_broker: Improve profiling of different data analysis steps
* jfjoch_broker: Record integration reflection count
* jfjoch_broker: Fix bug where ZeroMQ preview frequency was confusing time units (micro vs. milliseconds)
* jfjoch_broker: Fix bug where '/wait_till_done' got deadlocked
* jfjoch_writer: Fix confusion between NaN and zero in floating-point datasets

**Breaking changes**: detector definition is now using nanoseconds to define minimum frame time, minimum count time and readout time.

Reviewed-on: #49
2026-04-29 09:50:50 +02:00
leonarski_fandtakaba_k 230480e390 v1.0.0-rc.138 (#48)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

    jfjoch_broker: Cleanup DECTRIS start-up code to enable a shorter start time
    jfjoch_broker: Allow for asynchronous start to allow overlapping detector configuration with other beamline preparations
    jfjoch_broker: Goniometer axis name is converted to lowercase
    jfjoch_broker: Fix bug, where wrong HTTP error codes were returned
    jfjoch_broker: Improve sigma estimation during merging (K. Takaba)

---------

Co-authored-by: takaba_k <kiyofumi.takaba@psi.ch>
Reviewed-on: #48
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-04-27 19:56:14 +02:00
leonarski_f c981e1b91c v1.0.0-rc.137 (#46)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

* jfjoch_broker: Better track time for each operation in the processing stack
* jfjoch_broker: Rewrite preprocessing of diffraction images in the non-FPGA workflow to better use GPUs (work in progress)
* jfjoch_broker: Remove ROI calculation in the non-FPGA workflow (work in progress)
* jfjoch_viewer: Toolbar displays image number starting from 1 (instead of 0)

Reviewed-on: #46
2026-04-25 19:59:21 +02:00
leonarski_f c1c170112c v1.0.0-rc.136 (#45)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

* jfjoch_broker: Improve logic regarding indexing architecture and thread pools (work in progress).

Reviewed-on: #45
2026-04-20 11:54:33 +02:00
leonarski_f bb9f5c715f v1.0.0-rc.135 (#44)
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 9m55s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 10m28s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 8m56s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 11m47s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 13m7s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 12m31s
Build Packages / build:rpm (rocky8) (push) Successful in 12m59s
Build Packages / build:rpm (rocky9) (push) Successful in 14m5s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 15m30s
Build Packages / Generate python client (push) Successful in 1m18s
Build Packages / Build documentation (push) Successful in 1m3s
Build Packages / Create release (push) Has been skipped
Build Packages / build:rpm (ubuntu2404) (push) Successful in 10m8s
Build Packages / XDS test (durin plugin) (push) Successful in 9m16s
Build Packages / XDS test (neggia plugin) (push) Successful in 7m59s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 9m12s
Build Packages / DIALS test (push) Successful in 11m44s
Build Packages / Unit tests (push) Successful in 1h23m8s
This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

* Multiple small bug fixes scattered across the whole code base. (detected with GPT-5.4)
* jfjoch_viewer: Improve image render performance

Reviewed-on: #44
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-04-16 11:59:59 +02:00