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Jungfraujoch/image_analysis/bragg_integration/BraggIntegrationEngineMetal.h
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leonarski_fandFilip Leonarski 19b135186d
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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

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2.7 KiB
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// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#pragma once
#include <memory>
#include <string>
#include "BraggIntegrationEngineCPU.h"
// Apple GPU engine (macOS only): BraggIntegrationEngineCPU with its pixel work - the neighbour mask, the
// owner map, pass A's walk over every box, the background clip and pass B's single-precision profile
// fit - run as Metal kernels, one thread per reflection. Everything computed in double and the profile
// learning stay on the CPU, in the CPU engine's own code: Apple GPUs have no double precision.
//
// The result is the CPU engine's, bit for bit: the integer sums do not depend on the order the GPU
// visits pixels in, the fit's float sums are taken in the CPU's order, one reflection per thread, and
// the arithmetic deciding which pixel is which is the same source (BraggStencil.h, BraggPassB.h, and
// BraggExp.h for the Gaussian, as no GPU exp matches the host's), compiled for the GPU with fast math
// off - sqrt and division then round correctly - and, as on the host, with no a*b+c contracted into a
// fused multiply-add. The CPU and the GPU read the same memory, so the preprocessed image is not
// copied. tests/BraggIntegrationEngineMetalTest.cpp holds the engine to all of this.
class BraggIntegrationEngineMetal : public BraggIntegrationEngineCPU {
struct Device;
std::unique_ptr<Device> dev;
uint64_t frames_on_gpu = 0;
bool FitOnDevice(const std::vector<BraggFitSetup> &setups, const std::vector<float> &shell_profiles,
std::vector<BraggFitOut> &fits) override;
public:
// Whether this engine can integrate this experiment: a Metal device the process may use (rugnux
// --no-gpu hides it, see hide_gpus) and settings the kernels cover - not the trimmed-mean background,
// which only the CPU engine sorts the ring for.
static bool Available(const DiffractionExperiment &experiment);
// The Metal device's name, for the log; empty where there is none or the process may not use it.
static std::string DeviceName();
BraggIntegrationEngineMetal(const DiffractionExperiment &experiment, const PixelMask &mask);
~BraggIntegrationEngineMetal() override;
using BraggIntegrationEngineCPU::Run; // the CompressedImage overload stays the CPU engine's
std::vector<Reflection> Run(const ImagePreprocessorBuffer &image,
const std::vector<Reflection> &predicted, size_t npredicted,
int64_t image_number) override;
// The frames whose pixels the GPU walked, rather than the CPU engine this one falls back to.
[[nodiscard]] uint64_t FramesOnGPU() const { return frames_on_gpu; }
};