2 Commits
Author SHA1 Message Date
leonarski_fandClaude Opus 5.5 b6f2096015 RotationScaleMerge: the Wilson outlier test on the device in the GPU build
WilsonOutliersGPU runs the test of WilsonOutliers.cpp step for step on the
device and returns the same result to the bit: the two orders the host sorts
into are total orders, so a stable radix sort of the indices reaches the same
sequence; every sum is taken by one thread over its shell or reflection in the
host's order; each product the host rounds on its own (-ffp-contract=off) is
rounded with __dmul_rn; medians are read off sorts; and the logarithms (t, z,
u, the tail scale) are taken on the host from downloaded counts and medians.
MergeAndStats calls it where the merge itself is on the device.

8a1a final P61 merge, "rsm merge and statistics" 4.35 -> 2.82 s (the test runs
twice there, once per error-model fit). p.mtz md5 unchanged on myob, cytc,
8a1a and 8qaw (GPU build). A Catch2 case checks the device result against the
host one on a population that reaches every branch.

Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01SVmAWnzCmRKAXVUCdc4iNi
2026-10-08 07:07:32 +02:00
leonarski_f 84228bf8be v1.0.0-rc.173 (#83)
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* jfjoch_broker: Optional per-dataset authentication - statistics, images and plots can require a bearer token, which jfjoch_viewer supports.
* jfjoch_viewer: Dark mode and a theme-matched colour scheme, a magnifier panel, and simpler contrast and background controls.
* Rugnux: Multiple performance improvements on GPU and CPU (CPU-only processing up to 40% faster, faster image decoding on ARM), with unchanged results.
* Rugnux: `--model` rigid-body refinement runs on the GPU, and the model-validation check is faster and more reliable.
* Rugnux: Improved scaling and merging - error model, outlier rejection, absorption correction and French-Wilson amplitudes now agree more closely with XDS and ctruncate.
* Rugnux: Improved integration - radial background on powder and ice rings, crowded rotation data keep their reflections, and CPU-only builds integrate large unit cells as GPU builds do.
* Rugnux: More robust detector geometry - measured beam centre, X-ray bandwidth and goniometer rate, and geometry refinement accepted only on significant evidence.
* Rugnux: Merged files are written in the standard setting, or in the setting of a reference MTZ, structure-factor mmCIF or model, with its free-R flags.
* Rugnux: Richer report - ice and powder rings, further lattices, superstructure candidates and mosaicity, with warnings worded as prompts to check.
* Rugnux: Clear error messages when a data set needs more GPU or host memory than is available.

Reviewed-on: #83
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-09-29 15:57:32 +02:00