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Jungfraujoch/image_analysis/indexing/IndexerThreadPool.cpp
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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

387 lines
16 KiB
C++

// SPDX-FileCopyrightText: 2025 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#include "IndexerThreadPool.h"
#include "../common/CUDAWrapper.h"
#include "../common/Logger.h"
#ifdef JFJOCH_USE_CUDA
#include "FFBIDXIndexer.h"
#include "FFTIndexerGPU.h"
#endif
#ifdef JFJOCH_USE_FFTW
#include "FFTIndexerCPU.h"
#endif
void WarmUpCuFFT() {
#ifdef JFJOCH_USE_CUDA
if (get_gpu_count() == 0)
return;
cufftHandle plan = 0;
if (cufftPlan1d(&plan, 1024, CUFFT_C2C, 1) == CUFFT_SUCCESS)
cufftDestroy(plan);
#endif
}
#ifdef JFJOCH_USE_CUDA
FFTPlanReuse::FFTPlanReuse() : scope(std::make_unique<CudaFFTPlanScope>()) {}
#else
class CudaFFTPlanScope {};
FFTPlanReuse::FFTPlanReuse() = default;
#endif
FFTPlanReuse::~FFTPlanReuse() = default;
#ifdef JFJOCH_USE_CUDA
// An FFT indexer is a cuFFT plan and ~0.6-0.9 GB of device buffers, and several pipeline copies of one
// process run on the card at the same time: probe passes (GPUWorkBeside) beside the main line, for a
// few seconds each. So one that does not fit hands back what the allocation pool holds unused and waits
// for the work beside it to end, then is built again - as the merge's allocations do. The main line
// waits for the probes; a probe waits for the main line's image pass (GPUImagePass), never for a probe,
// itself included. Neither of those waits for the other, so nothing waits in a circle. Only when the
// indexer is built depends on this, never what it computes; one that does not fit the card fails as
// before.
static std::unique_ptr<Indexer> MakeFFTIndexerGPU(const IndexingSettings &settings, bool beside) {
try {
return std::make_unique<FFTIndexerGPU>(settings);
} catch (const JFJochException &) {
cuda_throw_if_context_lost(); // not memory: waiting would only hide the real error
cuda_clear_error();
}
if (beside)
wait_for_gpu_image_passes();
else
// That work is a probe pass of seconds, so this long means it is stuck: the indexer fails as
// it would have without it.
wait_for_gpu_work_beside(std::chrono::minutes(10));
cuda_trim_allocation_pool();
return std::make_unique<FFTIndexerGPU>(settings);
}
#endif
// The indexer for one RESOLVED algorithm, or nullptr if this build/host cannot serve it.
static std::unique_ptr<Indexer> MakeIndexer(IndexingAlgorithmEnum algorithm, const IndexingSettings &settings,
bool beside) {
#ifdef JFJOCH_USE_CUDA
if (get_gpu_count() > 0) {
if (algorithm == IndexingAlgorithmEnum::FFT)
return MakeFFTIndexerGPU(settings, beside);
if (algorithm == IndexingAlgorithmEnum::FFBIDX)
return std::make_unique<FFBIDXIndexer>();
}
#endif
#ifdef JFJOCH_USE_FFTW
if (algorithm == IndexingAlgorithmEnum::FFTW)
return std::make_unique<FFTIndexerCPU>(settings);
#endif
return nullptr;
}
IndexerThread::IndexerThread(const IndexingSettings &settings, int threadid, IndexerConstruction construction,
bool beside)
: settings_(settings), construction_(construction), beside_(beside) {
std::unique_lock<std::mutex> lock(m);
state = TaskState::STARTING;
worker_thread = std::thread(&IndexerThread::Worker, this, threadid);
c_running.wait(lock, [this] { return state != TaskState::STARTING; });
if (state == TaskState::ERROR) {
worker_thread.join();
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
"Indexer thread initialization failed");
}
}
void IndexerThread::Worker(int threadid) {
try {
pin_gpu();
} catch (const std::exception &e) {
spdlog::error("Failed to pin to GPU {}", e.what());
} catch (...) {
// GPU pinning errors are not critical and should be ignored for the time being.
}
std::unique_ptr<Indexer> fft_indexer, ffbidx_indexer, fftw_indexer;
// Preconstruct: build every indexer the requested algorithm could resolve to before the pool
// reports ready, so no cuFFT planning happens once frames are flowing, and a failure is fatal
// for the pool instead of being met frame by frame. OnFirstUse skips this and builds in the
// dispatch below.
if (construction_ == IndexerConstruction::Preconstruct) {
try {
const auto requested = settings_.GetAlgorithm();
if (requested == IndexingAlgorithmEnum::Auto || requested == IndexingAlgorithmEnum::FFT)
fft_indexer = MakeIndexer(IndexingAlgorithmEnum::FFT, settings_, beside_);
if (requested == IndexingAlgorithmEnum::Auto || requested == IndexingAlgorithmEnum::FFBIDX)
ffbidx_indexer = MakeIndexer(IndexingAlgorithmEnum::FFBIDX, settings_, beside_);
if ((requested == IndexingAlgorithmEnum::Auto && get_gpu_count() == 0)
|| requested == IndexingAlgorithmEnum::FFTW)
fftw_indexer = MakeIndexer(IndexingAlgorithmEnum::FFTW, settings_, beside_);
} catch (const std::exception &e) {
spdlog::error("Failed to initialize indexer: {}", e.what());
{
std::unique_lock<std::mutex> lock(m);
state = TaskState::ERROR;
}
c_running.notify_all();
return;
} catch (...) {
spdlog::error("Failed to initialize indexer");
{
std::unique_lock<std::mutex> lock(m);
state = TaskState::ERROR;
}
c_running.notify_all();
return;
}
}
{
std::unique_lock<std::mutex> lock(m);
state = TaskState::IDLE;
}
c_running.notify_all();
while (true) {
std::unique_ptr<TaskInput> input;
bool drop = false;
// Look for task + handle stop
{
std::unique_lock<std::mutex> lock(m);
c_start.wait(lock, [this] { return stop || drop_indexers || state == TaskState::READY; });
if (stop && (state != TaskState::READY))
return;
if (state == TaskState::READY) {
state = TaskState::RUNNING;
input = std::move(task_input);
} else
drop = true;
}
if (drop) {
fft_indexer.reset();
ffbidx_indexer.reset();
fftw_indexer.reset();
{
std::unique_lock<std::mutex> lock(m);
drop_indexers = false;
}
c_done.notify_all();
}
if (input) {
std::unique_ptr<IndexerResult> tmp_result;
try {
auto algorithm = input->experiment.GetIndexingAlgorithm();
std::unique_ptr<Indexer> *slot = nullptr;
switch (algorithm) {
case IndexingAlgorithmEnum::FFT: slot = &fft_indexer; break;
case IndexingAlgorithmEnum::FFBIDX: slot = &ffbidx_indexer; break;
case IndexingAlgorithmEnum::FFTW: slot = &fftw_indexer; break;
default: break;
}
// A preconstructing worker already holds it; an OnFirstUse worker builds it here,
// on the first frame that resolves to this algorithm.
if (slot && !*slot)
*slot = MakeIndexer(algorithm, settings_, beside_);
if (!slot || !*slot) {
// Algorithm is already resolved here (never Auto/None - see
// IndexerThreadPool::Run, which also checked this host can serve it). Reaching
// this means the resolved algorithm has no matching indexer in this build -
// fail loudly instead of silently not indexing.
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
"Internal error: no indexer available for the resolved "
"indexing algorithm");
}
Indexer &indexer = **slot;
indexer.Setup(input->experiment);
tmp_result = std::make_unique<IndexerResult>(indexer.Run(input->recip, input->severity_only));
} catch (std::exception &e) {
// Hand the failure back as a result carrying the reason. A nullptr here was
// indistinguishable from a worker that was never dispatched, and both then read
// downstream as "this frame did not index".
spdlog::error("Indexer thread {} failed: {}", threadid, e.what());
tmp_result = std::make_unique<IndexerResult>(IndexerResult{
.lattice = {}, .indexing_time_s = 0, .executed = false,
.error = std::current_exception()});
// This thread goes on to the next frame, so a CUDA error left behind here would be
// reported by the first cudaGetLastError() of every frame that follows - one failed
// attempt would read as an indexer that never works again.
cuda_clear_error();
}
{
std::unique_lock<std::mutex> lock(m);
state = TaskState::COMPLETED;
result = std::move(tmp_result);
}
c_done.notify_all();
}
}
}
void IndexerThread::Release() {
std::unique_lock<std::mutex> lock(m);
if (stop)
return;
drop_indexers = true;
c_start.notify_all();
c_done.wait(lock, [this] { return !drop_indexers; });
}
void IndexerThread::Finalize() {
{
std::unique_lock<std::mutex> lock(m);
stop = true;
}
c_start.notify_all();
if (worker_thread.joinable())
worker_thread.join();
}
std::unique_ptr<IndexerResult> IndexerThread::Run(const DiffractionExperiment &experiment,
const std::vector<Coord> &recip, bool severity_only) {
std::unique_ptr<IndexerResult> tmp_result;
{
std::unique_lock<std::mutex> lock(m);
if (stop)
return nullptr;
if (state != TaskState::IDLE)
return nullptr;
task_input = std::make_unique<TaskInput>(std::cref(experiment), std::cref(recip), severity_only);
state = TaskState::READY;
}
c_start.notify_one();
{
std::unique_lock<std::mutex> lock(m);
c_done.wait(lock, [this] { return state == TaskState::COMPLETED; });
tmp_result = std::move(result);
state = TaskState::IDLE;
}
return tmp_result;
}
IndexerThread::~IndexerThread() {
Finalize();
}
IndexerThreadPool::IndexerThreadPool(const IndexingSettings &settings, IndexerConstruction construction,
bool beside)
: worker_busy(settings.GetIndexingThreads(), 0),
worker_free_count(settings.GetIndexingThreads()),
viable_cell_min_spots(settings.GetViableCellMinSpots()),
blocking(settings.GetBlockingBehavior()),
settings_(settings) {
for (size_t i = 0; i < settings.GetIndexingThreads(); ++i)
tasks.emplace_back(std::make_unique<IndexerThread>(std::cref(settings), i, construction, beside));
}
void IndexerThreadPool::ReleaseIndexers() {
for (auto &t : tasks)
t->Release();
#ifdef JFJOCH_USE_CUDA
// Their buffers went back to the allocation pool, which would keep them reserved for the next
// buffer of whoever asks; hand them to the card.
cuda_trim_allocation_pools();
#endif
}
int IndexerThreadPool::GetFreeWorker() {
std::unique_lock<std::mutex> lock(m);
if (tasks.size() == 0)
return -1;
if (blocking)
c.wait(lock, [this] { return worker_free_count > 0; });
for (int i = 0; i < tasks.size(); i++) {
if (worker_busy[i] == 0) {
worker_busy[i] = 1;
worker_free_count--;
return i;
}
}
return -1;
}
IndexerResult IndexerThreadPool::Run(const DiffractionExperiment &experiment, const std::vector<Coord> &recip,
bool severity_only) {
const auto algorithm = experiment.GetIndexingAlgorithm();
if (algorithm == IndexingAlgorithmEnum::None)
return IndexerResult{.lattice = {}, .indexing_time_s = 0, .executed = false};
// GetIndexingAlgorithm() must already have resolved Auto to a concrete algorithm;
// the pool has no policy to resolve it, so Auto here is an upstream contract bug.
if (algorithm == IndexingAlgorithmEnum::Auto)
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
"Internal error: indexing algorithm must be resolved (not Auto) "
"before reaching the indexer pool");
// The workers built their indexers from the raw requested algorithm, but the algorithm actually
// dispatched is the RESOLVED one (rotation, for instance, always resolves to the GPU FFT indexer
// when a GPU is present, ignoring the request). If the resolution lands on an algorithm this host
// did not build an indexer for, fail here with an explanation instead of the opaque "no indexer
// available for the resolved algorithm" from deep inside a worker.
const auto requested = experiment.GetIndexingSettings().GetAlgorithm();
const bool have_gpu = get_gpu_count() > 0;
#ifdef JFJOCH_USE_FFTW
constexpr bool fftw_built = true;
#else
constexpr bool fftw_built = false;
#endif
const bool servable =
(algorithm == IndexingAlgorithmEnum::FFT && have_gpu &&
(requested == IndexingAlgorithmEnum::Auto || requested == IndexingAlgorithmEnum::FFT)) ||
(algorithm == IndexingAlgorithmEnum::FFBIDX && have_gpu &&
(requested == IndexingAlgorithmEnum::Auto || requested == IndexingAlgorithmEnum::FFBIDX)) ||
(algorithm == IndexingAlgorithmEnum::FFTW && fftw_built &&
((requested == IndexingAlgorithmEnum::Auto && !have_gpu) || requested == IndexingAlgorithmEnum::FFTW));
if (!servable) {
std::string msg;
if (requested == IndexingAlgorithmEnum::FFTW && have_gpu)
msg = "FFTW is the CPU indexer and is not available on a node with a GPU. Rotation indexing "
"always uses the GPU FFT indexer here; select FFT or Auto, or run FFTW on a CPU-only node.";
else if (algorithm == IndexingAlgorithmEnum::FFT && !have_gpu)
msg = "FFT is the GPU indexer but no GPU is available. Select FFTW or Auto for CPU indexing.";
else if (algorithm == IndexingAlgorithmEnum::FFBIDX && !have_gpu)
msg = "FFBIDX is a GPU indexer but no GPU is available. Select FFTW or Auto for CPU indexing.";
else if (algorithm == IndexingAlgorithmEnum::FFTW)
msg = "FFTW (CPU) indexing was requested but this build has no FFTW indexer.";
else
msg = "the requested indexing algorithm resolved to one with no indexer available on this host.";
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
"Cannot index: " + msg);
}
// Check if there is available worker
const int task = GetFreeWorker();
std::unique_ptr<IndexerResult> result;
if (task >= 0) {
try {
result = tasks[task]->Run(experiment, recip, severity_only);
} catch (const std::exception &e) {
spdlog::error("Indexer thread failed: {}", e.what());
result = std::make_unique<IndexerResult>(IndexerResult{
.lattice = {}, .indexing_time_s = 0, .executed = false,
.error = std::current_exception()});
}
{
std::unique_lock<std::mutex> lock(m);
worker_busy[task] = 0;
worker_free_count++;
}
c.notify_one();
}
if (result)
return *result;
// No free worker, or the pool is stopping: indexing was not attempted. Distinct from both a
// frame that did not index and an indexer that failed, and left without an error for that reason.
return IndexerResult{.lattice = {}, .indexing_time_s = 0};
}