2 Commits

Include renames

Author	SHA1	Message	Date
leonarski_fandClaude Opus 5.5	97ef0936b2	CudaFFTPlan: one cuFFT plan per card and shape, shared by its users; rigid body transforms one grid at a time ... Every cuFFT plan has the driver compile cuFFT's PTX kernels: cufftMakePlanMany -> cuModuleLoadData -> the PTX JIT, under cuFFT's process-wide lock. A second plan of the same shape pays again, even while the first is alive. The CUDA JIT cache makes that ~1 ms. Without one (CUDA_CACHE_DISABLE, no writable $HOME) a plan costs 20-250 ms. That holds for every size (64^3 and 1D 256 included), every transform type and batch, on sm_75 and sm_120, with cuFFT 11.2, 12.0 and 12.4. No CUFFT_* setting changes it, so a choice of grid sizes cannot avoid it; only the number of plans made can be cut. Before this change, a plan was lent to one user at a time, so each concurrent user of a shape on a card made its own: 9-24 rigid-body engines, the translation slices and the score engines. Now a plan is made once per card and shape and shared. Each user keeps its own stream and work area, and CudaFFTPlan::R2C/C2R set both and launch under the plan's mutex. Shared plans give the same bits as private ones: 8 threads on one plan with their own work areas, 9 shapes x 160 transforms, 0 mismatches on RTX 5080 and T4. A shared work area, the negative control, gives 2-13 mismatches per shape where the plan has a work area. The rigid-body engine also dropped its batch-3 plan: the Jacobian transforms its three grids one at a time on the batch-1 plan. That gives the same bits (10 zone-grid shapes, sm_75 and sm_120) and one plan less per zone and card. The cytochrome C and thaumatin MR test sets, AF models (MR step, s): 4x T4 cytc cache on 2.22 -> 2.22 cache off 8.41 -> 4.00 plans 86 -> 24 4x T4 thau cache on 1.58 -> 1.61 cache off 11.13 -> 3.08 plans 131 -> 23 1x T4 cytc cache on 2.87 -> 2.81 cache off 8.82 -> 3.84 plans 80 -> 12 1x T4 thau cache on 2.41 -> 2.39 cache off 10.42 -> 3.17 plans 104 -> 11 RTX5080 cytc cache on 1.41 -> 1.12 cache off 6.5-10.7 -> 2.02 RTX5080 thau cache on 0.90 -> 0.85 cache off 8.03 -> 1.60 Outputs are bit-identical before and after, cache on or off: model, merged hkl, maps, and every MR and validation log line. The mtz/cif differ only in the command line they record. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01PXc1zD1yxHqaR1DGdCTHL4	2026-10-20 01:51:28 +02:00
leonarski_fandFilip Leonarski	19b135186d	v1.0.0-rc.175 (#85) ... * Rugnux: Processes a collection live while jfjoch_broker writes it (`rugnux <master.h5> <broker URL>`). * Rugnux: Processing starts on the first images and confirms its choices once all are in, so analysis can begin during collection. * Rugnux: Faster processing, especially on servers with several GPUs and CPU sockets and on computers without a GPU (`--no-gpu`, macOS). * Rugnux: Uses much less GPU memory, so large data sets stay on the GPU of smaller cards, and a data set too large for the card is processed on the CPU instead. * Rugnux: On macOS, Bragg integration runs on the Apple GPU. * Rugnux: Better handling of twinning and pseudo-symmetry, with the twin hypothesis written as `<prefix>_twin_<SG>.mtz`, and a wrong `--model` no longer confirms the data or decides the hand. * Rugnux: `--model` accepts predicted (AlphaFold) models and falls back to molecular replacement when the model is not placed as a rigid body (experimental `--mr` forces it), settling space group, hand and twinning and writing a different answer as `<prefix>_mr.mtz`. * Rugnux: Molecular replacement is faster and settles the space group in more cases with several copies in the asymmetric unit. * Rugnux: Deposition-ready mmCIF, a richer report, and numbered steps on the terminal with the full log in `<prefix>_log.txt`; `_P1.mtz`, `--estimate-beam-center` and `--beam-center-search` are removed. * Rugnux: The beam-stop shadow is found correctly on tilted detectors. * Rugnux: Stills files that record a stationary goniometer axis get the default stills geometry refinement. * jfjoch_viewer: "Analyze dataset" uses the same defaults as a bare `rugnux <file>`, and shows the results of processed CBF, marCCD and SMV sweeps. * jfjoch_viewer: The Files panel refreshes on F5 and every few seconds, and the plot type and other selections stay put during live collection. * jfjoch_writer: Memory stays bounded and old data files are closed efficiently on long runs, any failure ends the run in an error state the broker is told about, and the master file appears only after its data files; the ZeroMQ pusher logs when a stalled writer makes it drop images. * Fixes: The TCP image pusher no longer blocks the broker's receiver, GPU out-of-memory failures stop with a clear message, and the XDS plugin masks module and chip edges. --------- Co-authored-by: Filip Leonarski <jungfrau@filips-mac-mini.home> Reviewed-on: #85 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>	2026-10-16 15:34:43 +02:00