leonarski_fandClaude Opus 5.5
5cedb69833
Every round the geometry walk takes ends in a pass that writes the files
again, so the canonical pass before it spent its space-group search, merges,
analyses, model validation and files on an answer nobody reads. The walk's
first question needs only that pass's post-refinement and, for a move of less
than a step, two indexing probes. The speculative probe now runs both beside
the merge - at the fit's geometry as before, then at the geometry in hand,
which the walk otherwise indexed after the pass (a memo hit where the pass's
own first pass left one) - and GeometryWalkTakesRound reads the walk's answer
from the same first-pass memos the walk's probes then read. The canonical pass
asks it, without waiting, before its space-group search (stops there; not
with a _process.h5 open) and again at the superseded point before the
analyses. An answer not yet in leaves the pass to finish as before, so only
timing depends on when the probes finish; the walk itself is unchanged.
Exactness E (not F): merged data and all output files identical to rc175
e9d4f2221 on every walking set, 2 runs each; decisions identical. Fired:
before the search on 7ph1, 5m17, 8pqd; at the superseded point on 2xfw, 6zr0,
9t6s; on 6zqy the probes were not in by either point in these runs; 8xtf's
canonical pass is starved and never merges.
Wall (time -v, base -> new, rep1 / rep2, shared machine):
5m17 65.9->57.0 / 68.5->56.7
8pqd 49.8->43.0 / 50.0->43.1
7ph1 51.1->48.9 / 51.1->45.3
6zr0 31.1->22.7 / 24.4->21.1
2xfw 101.2->66.7 / 48.2->48.2 (rep1 base noisy)
6zqy 27.3->26.1 / 26.8->25.7
controls myob_x10sa, cytc_x10sa, 11if, kdp_x10sa_20keV, 8a1a: no change
beyond machine noise
Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01SVmAWnzCmRKAXVUCdc4iNi
Jungfraujoch
Application to receive and analyse data from the PSI JUNGFRAU and EIGER detectors, together with
rugnux, its program for processing stored diffraction data - rotation and serial, macromolecular
and small-molecule - from images to merged reflections.
All documentation is now placed in docs/ subdirectory and for the current version hosted on Jungfraujoch Read The Docs page.