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* 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>
48 lines
2.9 KiB
C++
48 lines
2.9 KiB
C++
// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
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// SPDX-License-Identifier: GPL-3.0-only
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#pragma once
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// Included only where CUDA is known to be present, i.e. under JFJOCH_USE_CUDA - the same rule as
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// FFTIndexerGPU.h. Deliberately free of CUDA headers so a host translation unit (the parity test)
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// can construct the engine.
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#include "BeamCenterFFTEngine.h"
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// The beam-centre transforms on cuFFT. The capture is one call per run on an image of tens of
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// megapixels, so plans and device buffers are created inside the call that needs them and freed
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// when it returns: the card is shared with the analysis workers, and a plan held across the run
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// would be several hundred megabytes doing nothing.
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class BeamCenterFFTGPU : public BeamCenterFFTEngine {
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public:
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BeamCenterConvSurfaces2D PointSurfaces(const std::vector<float> &a, const std::vector<float> &m,
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int64_t h, int64_t w) override;
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// The four convolutions are combined and searched where they already are, so the only thing
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// that crosses PCIe is the shortlist. On a 16 Mpixel detector that is 1.16 GB of surfaces, a
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// 1.4 s greedy search and a 0.4 s combination not done on the host - against 26 ms of
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// transform, which is what the host work had become.
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std::vector<BeamCenterFFTCandidate> PointShortlist(const std::vector<float> &a,
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const std::vector<float> &m, int64_t h,
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int64_t w,
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const BeamCenterFFTSettings &settings,
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double global_variance) override;
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// The scored surface itself, brought back. Nothing in the pipeline asks for it - the shortlist
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// is made on the device - but the parity test holds the device combination to
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// BeamCenterPointScore element by element, which is the sharpest comparison available once the
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// two paths no longer share that step.
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[[nodiscard]] std::vector<float> PointScoreSurface(const std::vector<float> &a,
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const std::vector<float> &m, int64_t h,
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int64_t w, float min_pair_fraction,
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double global_variance);
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// Peak device memory the point surfaces need for an image of this size: buffers plus the cuFFT
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// plans' own workspace.
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[[nodiscard]] static size_t DeviceMemoryNeeded(int64_t width, int64_t height);
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// Whether that is at most half of the current device's TOTAL memory - the rest is the analysis
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// workers' beside it. Not what is free at the moment, so the same image on the same card always
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// takes the same path; a capture over it runs on the CPU.
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[[nodiscard]] static bool FitsInDeviceMemory(int64_t width, int64_t height);
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};
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