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* jfjoch_broker: Optional per-dataset authentication - statistics, images and plots can require a bearer token, which jfjoch_viewer supports. * jfjoch_viewer: Dark mode and a theme-matched colour scheme, a magnifier panel, and simpler contrast and background controls. * Rugnux: Multiple performance improvements on GPU and CPU (CPU-only processing up to 40% faster, faster image decoding on ARM), with unchanged results. * Rugnux: `--model` rigid-body refinement runs on the GPU, and the model-validation check is faster and more reliable. * Rugnux: Improved scaling and merging - error model, outlier rejection, absorption correction and French-Wilson amplitudes now agree more closely with XDS and ctruncate. * Rugnux: Improved integration - radial background on powder and ice rings, crowded rotation data keep their reflections, and CPU-only builds integrate large unit cells as GPU builds do. * Rugnux: More robust detector geometry - measured beam centre, X-ray bandwidth and goniometer rate, and geometry refinement accepted only on significant evidence. * Rugnux: Merged files are written in the standard setting, or in the setting of a reference MTZ, structure-factor mmCIF or model, with its free-R flags. * Rugnux: Richer report - ice and powder rings, further lattices, superstructure candidates and mosaicity, with warnings worded as prompts to check. * Rugnux: Clear error messages when a data set needs more GPU or host memory than is available. Reviewed-on: #83 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
313 lines
13 KiB
C++
313 lines
13 KiB
C++
// SPDX-FileCopyrightText: 2025 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
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// SPDX-License-Identifier: GPL-3.0-only
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#include "IndexerThreadPool.h"
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#include "../common/CUDAWrapper.h"
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#include "../common/Logger.h"
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#ifdef JFJOCH_USE_CUDA
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#include "FFBIDXIndexer.h"
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#include "FFTIndexerGPU.h"
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#endif
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#ifdef JFJOCH_USE_FFTW
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#include "FFTIndexerCPU.h"
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#endif
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void WarmUpCuFFT() {
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#ifdef JFJOCH_USE_CUDA
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if (get_gpu_count() == 0)
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return;
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cufftHandle plan = 0;
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if (cufftPlan1d(&plan, 1024, CUFFT_C2C, 1) == CUFFT_SUCCESS)
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cufftDestroy(plan);
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#endif
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}
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// The indexer for one RESOLVED algorithm, or nullptr if this build/host cannot serve it.
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static std::unique_ptr<Indexer> MakeIndexer(IndexingAlgorithmEnum algorithm, const IndexingSettings &settings) {
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#ifdef JFJOCH_USE_CUDA
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if (get_gpu_count() > 0) {
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if (algorithm == IndexingAlgorithmEnum::FFT)
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return std::make_unique<FFTIndexerGPU>(settings);
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if (algorithm == IndexingAlgorithmEnum::FFBIDX)
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return std::make_unique<FFBIDXIndexer>();
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}
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#endif
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#ifdef JFJOCH_USE_FFTW
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if (algorithm == IndexingAlgorithmEnum::FFTW)
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return std::make_unique<FFTIndexerCPU>(settings);
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#endif
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return nullptr;
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}
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IndexerThread::IndexerThread(const IndexingSettings &settings, int threadid, IndexerConstruction construction)
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: settings_(settings), construction_(construction) {
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std::unique_lock<std::mutex> lock(m);
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state = TaskState::STARTING;
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worker_thread = std::thread(&IndexerThread::Worker, this, threadid);
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c_running.wait(lock, [this] { return state != TaskState::STARTING; });
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if (state == TaskState::ERROR) {
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worker_thread.join();
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"Indexer thread initialization failed");
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}
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}
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void IndexerThread::Worker(int threadid) {
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try {
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pin_gpu();
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} catch (const std::exception &e) {
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spdlog::error("Failed to pin to GPU {}", e.what());
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} catch (...) {
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// GPU pinning errors are not critical and should be ignored for the time being.
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}
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std::unique_ptr<Indexer> fft_indexer, ffbidx_indexer, fftw_indexer;
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// Preconstruct: build every indexer the requested algorithm could resolve to before the pool
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// reports ready, so no cuFFT planning happens once frames are flowing, and a failure is fatal
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// for the pool instead of being met frame by frame. OnFirstUse skips this and builds in the
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// dispatch below.
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if (construction_ == IndexerConstruction::Preconstruct) {
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try {
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const auto requested = settings_.GetAlgorithm();
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if (requested == IndexingAlgorithmEnum::Auto || requested == IndexingAlgorithmEnum::FFT)
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fft_indexer = MakeIndexer(IndexingAlgorithmEnum::FFT, settings_);
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if (requested == IndexingAlgorithmEnum::Auto || requested == IndexingAlgorithmEnum::FFBIDX)
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ffbidx_indexer = MakeIndexer(IndexingAlgorithmEnum::FFBIDX, settings_);
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if ((requested == IndexingAlgorithmEnum::Auto && get_gpu_count() == 0)
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|| requested == IndexingAlgorithmEnum::FFTW)
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fftw_indexer = MakeIndexer(IndexingAlgorithmEnum::FFTW, settings_);
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} catch (const std::exception &e) {
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spdlog::error("Failed to initialize indexer: {}", e.what());
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{
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std::unique_lock<std::mutex> lock(m);
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state = TaskState::ERROR;
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}
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c_running.notify_all();
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return;
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} catch (...) {
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spdlog::error("Failed to initialize indexer");
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{
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std::unique_lock<std::mutex> lock(m);
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state = TaskState::ERROR;
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}
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c_running.notify_all();
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return;
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}
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}
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{
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std::unique_lock<std::mutex> lock(m);
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state = TaskState::IDLE;
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}
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c_running.notify_all();
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while (true) {
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std::unique_ptr<TaskInput> input;
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// Look for task + handle stop
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{
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std::unique_lock<std::mutex> lock(m);
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c_start.wait(lock, [this] { return stop || state == TaskState::READY; });
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if (stop && (state != TaskState::READY))
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return;
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state = TaskState::RUNNING;
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input = std::move(task_input);
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}
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if (input) {
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std::unique_ptr<IndexerResult> tmp_result;
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try {
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auto algorithm = input->experiment.GetIndexingAlgorithm();
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std::unique_ptr<Indexer> *slot = nullptr;
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switch (algorithm) {
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case IndexingAlgorithmEnum::FFT: slot = &fft_indexer; break;
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case IndexingAlgorithmEnum::FFBIDX: slot = &ffbidx_indexer; break;
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case IndexingAlgorithmEnum::FFTW: slot = &fftw_indexer; break;
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default: break;
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}
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// A preconstructing worker already holds it; an OnFirstUse worker builds it here,
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// on the first frame that resolves to this algorithm.
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if (slot && !*slot)
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*slot = MakeIndexer(algorithm, settings_);
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if (!slot || !*slot) {
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// Algorithm is already resolved here (never Auto/None - see
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// IndexerThreadPool::Run, which also checked this host can serve it). Reaching
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// this means the resolved algorithm has no matching indexer in this build -
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// fail loudly instead of silently not indexing.
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"Internal error: no indexer available for the resolved "
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"indexing algorithm");
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}
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Indexer &indexer = **slot;
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indexer.Setup(input->experiment);
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tmp_result = std::make_unique<IndexerResult>(indexer.Run(input->recip, input->severity_only));
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} catch (std::exception &e) {
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// Hand the failure back as a result carrying the reason. A nullptr here was
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// indistinguishable from a worker that was never dispatched, and both then read
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// downstream as "this frame did not index".
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spdlog::error("Indexer thread {} failed: {}", threadid, e.what());
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tmp_result = std::make_unique<IndexerResult>(IndexerResult{
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.lattice = {}, .indexing_time_s = 0, .executed = false, .error = e.what()});
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// This thread goes on to the next frame, so a CUDA error left behind here would be
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// reported by the first cudaGetLastError() of every frame that follows - one failed
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// attempt would read as an indexer that never works again.
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cuda_clear_error();
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}
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{
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std::unique_lock<std::mutex> lock(m);
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state = TaskState::COMPLETED;
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result = std::move(tmp_result);
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}
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c_done.notify_all();
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}
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}
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}
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void IndexerThread::Finalize() {
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{
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std::unique_lock<std::mutex> lock(m);
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stop = true;
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}
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c_start.notify_all();
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if (worker_thread.joinable())
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worker_thread.join();
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}
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std::unique_ptr<IndexerResult> IndexerThread::Run(const DiffractionExperiment &experiment,
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const std::vector<Coord> &recip, bool severity_only) {
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std::unique_ptr<IndexerResult> tmp_result;
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{
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std::unique_lock<std::mutex> lock(m);
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if (stop)
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return nullptr;
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if (state != TaskState::IDLE)
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return nullptr;
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task_input = std::make_unique<TaskInput>(std::cref(experiment), std::cref(recip), severity_only);
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state = TaskState::READY;
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}
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c_start.notify_one();
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{
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std::unique_lock<std::mutex> lock(m);
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c_done.wait(lock, [this] { return state == TaskState::COMPLETED; });
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tmp_result = std::move(result);
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state = TaskState::IDLE;
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}
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return tmp_result;
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}
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IndexerThread::~IndexerThread() {
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Finalize();
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}
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IndexerThreadPool::IndexerThreadPool(const IndexingSettings &settings, IndexerConstruction construction)
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: worker_busy(settings.GetIndexingThreads(), 0),
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worker_free_count(settings.GetIndexingThreads()),
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viable_cell_min_spots(settings.GetViableCellMinSpots()),
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blocking(settings.GetBlockingBehavior()),
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settings_(settings) {
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for (size_t i = 0; i < settings.GetIndexingThreads(); ++i)
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tasks.emplace_back(std::make_unique<IndexerThread>(std::cref(settings), i, construction));
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}
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int IndexerThreadPool::GetFreeWorker() {
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std::unique_lock<std::mutex> lock(m);
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if (tasks.size() == 0)
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return -1;
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if (blocking)
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c.wait(lock, [this] { return worker_free_count > 0; });
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for (int i = 0; i < tasks.size(); i++) {
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if (worker_busy[i] == 0) {
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worker_busy[i] = 1;
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worker_free_count--;
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return i;
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}
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}
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return -1;
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}
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IndexerResult IndexerThreadPool::Run(const DiffractionExperiment &experiment, const std::vector<Coord> &recip,
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bool severity_only) {
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const auto algorithm = experiment.GetIndexingAlgorithm();
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if (algorithm == IndexingAlgorithmEnum::None)
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return IndexerResult{.lattice = {}, .indexing_time_s = 0, .executed = false};
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// GetIndexingAlgorithm() must already have resolved Auto to a concrete algorithm;
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// the pool has no policy to resolve it, so Auto here is an upstream contract bug.
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if (algorithm == IndexingAlgorithmEnum::Auto)
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"Internal error: indexing algorithm must be resolved (not Auto) "
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"before reaching the indexer pool");
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// The workers built their indexers from the raw requested algorithm, but the algorithm actually
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// dispatched is the RESOLVED one (rotation, for instance, always resolves to the GPU FFT indexer
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// when a GPU is present, ignoring the request). If the resolution lands on an algorithm this host
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// did not build an indexer for, fail here with an explanation instead of the opaque "no indexer
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// available for the resolved algorithm" from deep inside a worker.
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const auto requested = experiment.GetIndexingSettings().GetAlgorithm();
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const bool have_gpu = get_gpu_count() > 0;
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#ifdef JFJOCH_USE_FFTW
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constexpr bool fftw_built = true;
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#else
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constexpr bool fftw_built = false;
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#endif
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const bool servable =
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(algorithm == IndexingAlgorithmEnum::FFT && have_gpu &&
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(requested == IndexingAlgorithmEnum::Auto || requested == IndexingAlgorithmEnum::FFT)) ||
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(algorithm == IndexingAlgorithmEnum::FFBIDX && have_gpu &&
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(requested == IndexingAlgorithmEnum::Auto || requested == IndexingAlgorithmEnum::FFBIDX)) ||
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(algorithm == IndexingAlgorithmEnum::FFTW && fftw_built &&
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((requested == IndexingAlgorithmEnum::Auto && !have_gpu) || requested == IndexingAlgorithmEnum::FFTW));
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if (!servable) {
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std::string msg;
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if (requested == IndexingAlgorithmEnum::FFTW && have_gpu)
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msg = "FFTW is the CPU indexer and is not available on a node with a GPU. Rotation indexing "
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"always uses the GPU FFT indexer here; select FFT or Auto, or run FFTW on a CPU-only node.";
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else if (algorithm == IndexingAlgorithmEnum::FFT && !have_gpu)
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msg = "FFT is the GPU indexer but no GPU is available. Select FFTW or Auto for CPU indexing.";
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else if (algorithm == IndexingAlgorithmEnum::FFBIDX && !have_gpu)
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msg = "FFBIDX is a GPU indexer but no GPU is available. Select FFTW or Auto for CPU indexing.";
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else if (algorithm == IndexingAlgorithmEnum::FFTW)
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msg = "FFTW (CPU) indexing was requested but this build has no FFTW indexer.";
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else
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msg = "the requested indexing algorithm resolved to one with no indexer available on this host.";
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"Cannot index: " + msg);
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}
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// Check if there is available worker
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const int task = GetFreeWorker();
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std::unique_ptr<IndexerResult> result;
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if (task >= 0) {
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try {
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result = tasks[task]->Run(experiment, recip, severity_only);
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} catch (const std::exception &e) {
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spdlog::error("Indexer thread failed: {}", e.what());
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result = std::make_unique<IndexerResult>(IndexerResult{
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.lattice = {}, .indexing_time_s = 0, .executed = false, .error = e.what()});
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}
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{
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std::unique_lock<std::mutex> lock(m);
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worker_busy[task] = 0;
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worker_free_count++;
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}
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c.notify_one();
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}
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if (result)
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return *result;
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// No free worker, or the pool is stopping: indexing was not attempted. Distinct from both a
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// frame that did not index and an indexer that failed, and left without an error for that reason.
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return IndexerResult{.lattice = {}, .indexing_time_s = 0};
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}
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