30cf5856d4
docs: bring the rugnux and analysis pages up to the code (MR fallback, GPU decode, live runs)
leonarski_fandClaude Opus 5.52026-10-13 09:03:31 +02:00
ec57236ae5
rugnux: offline, the first passes decide their near ties on all the frames from the start
leonarski_fandClaude Opus 5.52026-10-13 08:36:35 +02:00
5636208278
battery: cytochrome c scored against the hand of its reference model; ZANUDA/POINTLESS evidence in the accepted-alternative texts
leonarski_fandClaude Opus 5.52026-10-13 07:40:16 +02:00
f8535968c6
Merge branch 'fix-9fhc' into rc175: marCCD frames copied into the engine's own pinned buffer (fixes a pre-scan race); ModelValidation test follows the null on every run
leonarski_fandClaude Opus 5.52026-10-13 05:54:59 +02:00
34092a510f
marCCD upload: stage the stored pixels instead of page-locking the frame in place
leonarski_fandClaude Opus 5.52026-10-13 05:21:33 +02:00
59648587e3
Merge branch 'gpu-loops' into rc175: prediction ordered and selected on the GPU, CBF byte-offset decoded and marCCD widened on the GPU
leonarski_fandClaude Opus 5.52026-10-13 03:28:19 +02:00
450266d6f7
Merge branch 'gpu-scaling' into rc175: merge ingest, delta-phi/partiality recompute and CSRs on the card; overload/ice in one parallel sweep; guard beside the main engine on one card
leonarski_fandClaude Opus 5.52026-10-13 03:14:18 +02:00
9cb19753c7
Merge branch 'gpu-modelval' into rc175: --model validation's scale fits on the GPU, change-of-basis scoring gridded once in parallel
leonarski_fandClaude Opus 5.52026-10-13 02:47:06 +02:00
85e714f072
Merge branch 'unified-model' into rc175: --model runs molecular replacement when the rigid body cannot place the model
leonarski_fandClaude Opus 5.52026-10-13 01:58:38 +02:00
2a32c28cca
battery nullmodel: a section title is '# N. TITLE', not any comment line starting with a digit
leonarski_fandClaude Opus 5.52026-10-13 00:29:06 +02:00
8f8d0c47f5
rugnux: one sweep over the reflections for the overload counts and the ice flags
leonarski_fandClaude Opus 5.52026-10-12 23:42:21 +02:00
095814baed
rugnux: place the quality guard from the pre-pass engine's size, before either ingest
leonarski_fandClaude Opus 5.52026-10-12 23:31:49 +02:00
5f7b4d06bc
rugnux: the post-refinement gather starts once the scaling engine has ingested
leonarski_fandClaude Opus 5.52026-10-12 22:53:56 +02:00
d5bf32763f
rotation merge: the resident ingest smooths the geometry on the card (last-bit change)
leonarski_fandClaude Opus 5.52026-10-12 22:46:06 +02:00
4158c48dfd
rugnux: post-refinement gather beside the chain; quality guard beside the engine on one card
leonarski_fandClaude Opus 5.52026-10-12 22:38:34 +02:00
f88ff0440d
rotation merge: the resident ingest sorts and cuts the reflections on the card
leonarski_fandClaude Opus 5.52026-10-12 22:38:25 +02:00
e24fb88b53
rugnux: count overloads and flag ice-ring reflections over the images on all threads
leonarski_fandClaude Opus 5.52026-10-12 22:38:09 +02:00
d0d225cb99
rugnux --model: molecular replacement where the rigid body does not place the model
leonarski_fandClaude Opus 5.52026-10-12 22:20:36 +02:00
1fe73bab41
Model validation: scale fits on the GPU, change-of-basis probe gridded once per frame on all threads
leonarski_fandClaude Opus 5.52026-10-12 21:40:54 +02:00
07eecb3285
Merge branch 'mr-7qij' into rc175: --mr (predicted and experimental models), MR tNCS half-shift check, P1 single copy, carry rule, MR 2-4x faster
leonarski_fandClaude Opus 5.52026-10-12 20:08:43 +02:00
3053455c1f
Merge branch 'viewer-plot-combo' into rc175: jfjoch_viewer combo boxes no longer rebuilt on each live update
leonarski_fandClaude Opus 5.52026-10-12 19:47:23 +02:00
30c7bee15f
rugnux: --af-model becomes --mr, for predictions and experimental structures alike
leonarski_fandClaude Opus 5.52026-10-12 17:44:48 +02:00
e1f49dd729
rugnux --af-model: the further copies' translation function prepared once per group, the known copies' likelihood beside it
leonarski_fandClaude Opus 5.52026-10-12 19:30:22 +02:00
83b1d85400
Merge branch 'viewer-refresh' into rc175: jfjoch_viewer Files panel reloads on F5 and polls every 3 s while visible
leonarski_fandClaude Opus 5.52026-10-12 19:24:23 +02:00
4f5e419d79
Merge branch 'spot-width' into rc175: pre-scan spot measurement on per-spot tiles, engines built during the read, tiers looked ahead, repeated pre-scans memoised
leonarski_fandClaude Opus 5.52026-10-12 18:18:19 +02:00
aef1c84bf1
rugnux pre-scan: build the spot measurement's mapping on the cores the readers leave free
leonarski_fandClaude Opus 5.52026-10-12 18:16:23 +02:00
9da57ba559
rugnux --af-model: beside tNCS, a poorly fitting placement cannot rule out a group by carrying its copies there
leonarski_fandClaude Opus 5.52026-10-12 18:06:23 +02:00
af796d0a6a
rugnux --af-model: tNCS half-vector moves and P1's first copy decided on the evidence that can tell them
leonarski_fandClaude Opus 5.52026-10-12 17:34:28 +02:00
c6912e2a06
rugnux --af-model: tNCS half-vector moves checked, the merge's own group not ruled out beside tNCS, P1's first copy judged by its orientation (WIP, validation pending)
leonarski_fandClaude Opus 5.52026-10-12 16:49:02 +02:00
1b21958828
Merge branch 'mr-tncs-null' into rc175: --af-model null turns each copy about its own centroid, so tNCS no longer lets wrong models pass
leonarski_fandClaude Opus 5.52026-10-12 16:48:36 +02:00
6c8ead466a
rugnux --af-model: molecular replacement faster - the score's scale fit on the GPU, the expected LLG gate, the serial parts side by side
leonarski_fandClaude Opus 5.52026-10-12 16:39:03 +02:00
545cf3b13e
rugnux pre-scan: spot width on per-spot squares, engines built during the read, tiers looked ahead, measurements memoised
leonarski_fandClaude Opus 5.52026-10-12 16:11:14 +02:00
699bff1cb1
Merge branch 'sym-evidence' into rc175: POINTLESS/ZANUDA symmetry evidence for 18 open-arm sets, kept with the battery
leonarski_fandClaude Opus 5.52026-10-12 16:02:51 +02:00
704f2b567a
Merge branch 'ci-fix' into rc175: jfjoch_mr_replay leaves the repository; unit tests and the battery take turns on the CI GPU
leonarski_fandClaude Opus 5.52026-10-12 14:28:45 +02:00
fa79d7587b
Merge branch 'af-mr4' into rc175: --af-model likelihood rescoring, PAE domain search, twin comparison on the subgroup merge, refined tNCS rule
leonarski_fandClaude Opus 5.52026-10-12 13:45:46 +02:00
b28dff47e4
Merge branch 'merge-layout' into rc175: merge engine observations as a packed 16-byte record, the scale preparation folded into the per-frame fit
leonarski_fandClaude Opus 5.52026-10-12 13:37:40 +02:00
d712eba00f
Merge branch 'prescan-cards' into rc175: pre-scan projection and defective pixels one accumulator per card, sample read once, beam-stop detection memoised
leonarski_fandClaude Opus 5.52026-10-12 11:54:51 +02:00
7d656c13de
rugnux merge engine: the immutable fields the scaling gathers in one 16-byte record
leonarski_fandClaude Opus 5.52026-10-12 09:10:22 +02:00
be5e6feb15
rugnux pre-scan: a frame past the kept-frame budget is read into the worker's buffer
leonarski_fandClaude Opus 5.52026-10-12 09:56:39 +02:00
230c5e3917
battery: 2ygz leaves the open arm; 6oww accepts P 41 21 2 as an open question
leonarski_fandClaude Opus 5.52026-10-12 09:47:39 +02:00
70e11d9ab8
rugnux pre-scan: projection and defective pixels per card, the sample read once, beam stop memoised
leonarski_fandClaude Opus 5.52026-10-12 08:07:10 +02:00
fcbe92042b
Merge branch 'af-mr3' into rc175: --af-model searches several copies per asymmetric unit (Matthews probability, sequential translation function, fixed-copy rigid body, tNCS)
leonarski_fandClaude Opus 5.52026-10-12 01:36:26 +02:00
63e0a85467
rugnux --af-model: several copies in the asymmetric unit, tNCS, a search-matched null, faster
leonarski_fandClaude Opus 5.52026-10-12 00:27:17 +02:00
f481f7f0df
Merge branch 'wm-fix' into rc175: a wrong --model confirms no shell and fits no hand; wrong-model null as its own CI step; battery runs kept in the repository by machine role
leonarski_fandClaude Opus 5.52026-10-12 00:08:46 +02:00
f3a405655c
rugnux: a near-tie re-check of a first pass already re-checked on the same inputs is not run again
leonarski_fandClaude Opus 5.52026-10-11 23:09:15 +02:00
d906868bb2
battery: kept runs by machine role (keep --as workstation|server); the server run complete
leonarski_fandClaude Opus 5.52026-10-11 22:33:35 +02:00
695bc907b4
battery: keep runs in the repository (battery.py keep, tools/battery/results/<host>/<run>/)
leonarski_fandClaude Opus 5.52026-10-11 22:22:29 +02:00
ee350f1f74
rugnux --model: a wrong model confirms no shell, fits no hand, and fits the GPU reserve
leonarski_fandClaude Opus 5.52026-10-11 21:30:34 +02:00
f800669839
jfjoch_mr_replay: --af-model's molecular replacement re-run on a run's merged MTZ files
leonarski_fandClaude Opus 5.52026-10-11 20:50:47 +02:00
bd3c4efab6
Merge branch 'af-mr2' into rc175: --af-model hand decisions vetoed by the anomalous map, search on the GPU, hand check from the anomalous map alone
leonarski_fandClaude Opus 5.52026-10-11 20:38:12 +02:00
323c5253de
rugnux --af-model: each candidate space group once, not again on a shifted origin
leonarski_fandClaude Opus 5.52026-10-11 19:09:27 +02:00
50e3b59fb7
rugnux --af-model: hand check reads only the anomalous map, on MR's placement and solvent
leonarski_fandClaude Opus 5.52026-10-11 18:11:01 +02:00
2a3d60fb82
rugnux --af-model: anomalous veto on the enantiomorph, search on the GPU, cheaper rescoring
leonarski_fandClaude Opus 5.52026-10-11 17:10:48 +02:00
0fd3d1742b
Merge branch 'fft-admit-test' into rc175: the FFT indexer wait test fills every card, as indexer workers pick theirs round-robin
leonarski_fandClaude Opus 5.52026-10-11 16:40:00 +02:00
54993911f1
Merge branch 'wrongmodel' into rc175: wrong-model null step with every ci-tier battery run (fails until the false CC significance, the fragile fit gate and the rigid-body reserve are fixed)
leonarski_fandClaude Opus 5.52026-10-11 14:42:27 +02:00
57fef1cf44
Merge branch 'af-mr' into rc175: experimental --af-model, single-copy molecular replacement deciding open symmetry hypotheses into p_mr.mtz
leonarski_fandClaude Opus 5.52026-10-11 14:38:08 +02:00
62b7d8b2b9
Merge branch 'u5-ingest' into rc175: merge ingest reads the reflections 4 times instead of 7; the all-observation arm copies the staged observations on the card
leonarski_fandClaude Opus 5.52026-10-11 14:26:01 +02:00
ee8c95de1c
CUDAMemHelpers test: the FFT indexer wait case trims the allocation pool after its pools
leonarski_fandClaude Opus 5.52026-10-11 14:25:56 +02:00
8dbaa9f8d7
Merge branch 'fft-admit' into rc175: FFT indexer construction waits for GPU work beside it before failing
leonarski_fandClaude Opus 5.52026-10-11 14:06:12 +02:00
8fa3e0a6c9
Merge branch 'u12-numa' into rc175: with automatic -N, threads confined to the GPUs' sockets on a multi-socket machine
leonarski_fandClaude Opus 5.52026-10-11 13:59:04 +02:00
136b1f24e9
Merge branch 'decode-bounds' into rc175: decode kernel launch bounds allow five resident blocks on sm_120
leonarski_fandClaude Opus 5.52026-10-11 13:45:14 +02:00
d14e32b19a
decode kernel: __launch_bounds__(256, 5), so sm_120 keeps the five blocks its shared memory allows
leonarski_fandClaude Opus 5.52026-10-11 13:44:30 +02:00
60a8bf3981
rugnux --af-model (experimental): single-copy molecular replacement of a predicted model
leonarski_fandClaude Opus 5.52026-10-11 13:35:05 +02:00
35f0cffaa4
Merge branch 'b2-radius-early' into rc175: the canonical pass picks its integration radius before it runs
leonarski_fandClaude Opus 5.52026-10-11 13:02:07 +02:00
a609f6ba1c
rugnux two-pass: the integration radius decided on the pre-pass frames, before the canonical pass
leonarski_fandClaude Opus 5.52026-10-11 09:54:47 +02:00
3befddd649
rugnux: an FFT indexer that does not fit waits for the GPU work beside it, then is built again
leonarski_fandClaude Opus 5.52026-10-11 11:11:42 +02:00
b46b4a4657
rugnux all-observation arm: observations copied on the card, not staged from the reflections again
leonarski_fandClaude Opus 5.52026-10-11 10:52:57 +02:00