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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>
420 lines
21 KiB
Plaintext
420 lines
21 KiB
Plaintext
// 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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// Sparse connected-component labelling following the design the ACTS/traccc project arrived at for
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// sparse silicon-detector clusterization (backward-neighbour graph over a sorted hit list, then a
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// parallel union-find), which is itself the GPU counterpart of the SparseCCL that
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// StrongPixelSet.cpp adapts on the host.
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// https://github.com/acts-project/traccc
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// (c) 2021-2025 CERN for the benefit of the ACTS project
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// Mozilla Public License Version 2.0
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// The kernels below are this project's own - the algorithm is traccc's. Cited in
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// docs/ACKNOWLEDGEMENT.md: P. Gessinger et al., "traccc: GPU track reconstruction library for HEP
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// experiments" (2025), arXiv:2505.22822.
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#include <climits>
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#include "SpotExtractorGPU.h"
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#include "../../common/JFJochException.h"
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namespace {
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inline void cuda_err(cudaError_t val) {
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if (val != cudaSuccess)
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throw JFJochException(JFJochExceptionCategory::GPUCUDAError, cudaGetErrorString(val));
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}
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constexpr int THREADS = 256;
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constexpr int FINISH_THREADS = 1024;
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// --- compaction: packed bit buffer -> strong-pixel list, sorted by flat index -------------------
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// Each block owns a CONTIGUOUS range of words. Pass 1 counts its strong bits, a single-block scan
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// turns the counts into offsets, and pass 2 walks the same range in increasing order and writes at
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// that offset. No atomics anywhere, which is what keeps the output sorted.
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__global__ void count_bits(const uint32_t *__restrict__ strong, const uint32_t *__restrict__ res_mask,
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uint32_t *__restrict__ block_count, size_t nwords) {
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const size_t per_block = (nwords + gridDim.x - 1) / gridDim.x;
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const size_t w0 = static_cast<size_t>(blockIdx.x) * per_block;
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const size_t w1 = min(w0 + per_block, nwords);
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uint32_t local = 0;
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for (size_t w = w0 + threadIdx.x; w < w1; w += blockDim.x)
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local += __popc(strong[w] & ~res_mask[w]);
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__shared__ uint32_t block_total;
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if (threadIdx.x == 0) block_total = 0;
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__syncthreads();
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atomicAdd(&block_total, local);
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__syncthreads();
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if (threadIdx.x == 0) block_count[blockIdx.x] = block_total;
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}
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__global__ void scan_block_counts(const uint32_t *__restrict__ in, uint32_t *__restrict__ out,
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uint32_t *__restrict__ total, int n) {
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__shared__ uint32_t shared[FINISH_THREADS];
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const int t = threadIdx.x, nthreads = blockDim.x;
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const int chunk = (n + nthreads - 1) / nthreads;
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const int lo = min(t * chunk, n), hi = min(lo + chunk, n);
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uint32_t sum = 0;
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for (int i = lo; i < hi; i++) sum += in[i];
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shared[t] = sum;
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__syncthreads();
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for (int d = 1; d < nthreads; d <<= 1) {
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const uint32_t v = (t >= d) ? shared[t - d] : 0u;
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__syncthreads();
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shared[t] += v;
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__syncthreads();
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}
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uint32_t acc = shared[t] - sum;
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for (int i = lo; i < hi; i++) { out[i] = acc; acc += in[i]; }
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if (t == nthreads - 1) *total = shared[t];
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}
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// One warp per block emits its range, 32 words at a time: each lane takes a word, a warp prefix sum
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// over the words' bit counts gives every lane where its pixels go, and the lane writes them in
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// increasing order - so the list comes out in exactly the order a single thread walking the range
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// would write it. Strong pixels are ~1e-4 of the image, so most passes find nothing at all; doing the
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// walk on one thread left the other 31 idle and the reads of the range one after another.
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__global__ void scatter_bits(const uint32_t *__restrict__ strong, const uint32_t *__restrict__ res_mask,
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const uint32_t *__restrict__ block_offset, const int32_t *__restrict__ image,
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uint32_t *__restrict__ out_index, int32_t *__restrict__ out_value,
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size_t nwords, uint32_t capacity) {
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const int lane = threadIdx.x % 32;
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const size_t per_block = (nwords + gridDim.x - 1) / gridDim.x;
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const size_t w0 = static_cast<size_t>(blockIdx.x) * per_block;
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const size_t w1 = min(w0 + per_block, nwords);
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uint32_t pos = block_offset[blockIdx.x];
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for (size_t base = w0; base < w1; base += 32) {
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const size_t w = base + lane;
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uint32_t word = (w < w1) ? (strong[w] & ~res_mask[w]) : 0;
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const uint32_t n = __popc(word);
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uint32_t before = n; // inclusive prefix sum of n over the lanes
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for (int offset = 1; offset < 32; offset *= 2) {
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const uint32_t t = __shfl_up_sync(0xffffffff, before, offset);
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if (lane >= offset) before += t;
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}
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const uint32_t total = __shfl_sync(0xffffffff, before, 31);
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uint32_t p = pos + before - n;
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while (word != 0) {
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const uint32_t flat = static_cast<uint32_t>(w * 32 + (__ffs(word) - 1));
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word &= word - 1;
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if (p < capacity) {
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out_index[p] = flat;
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out_value[p] = image[flat];
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}
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++p;
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}
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pos += total;
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}
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}
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// --- connected components ----------------------------------------------------------------------
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__device__ __forceinline__ int lower_bound_device(const uint32_t *a, int n, uint32_t key) {
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int lo = 0, hi = n;
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while (lo < hi) {
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const int mid = (lo + hi) >> 1;
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if (a[mid] < key) lo = mid + 1; else hi = mid;
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}
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return lo;
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}
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// Walk to the root, halving the path on the way. The plain store is safe: a parent only ever
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// decreases and the grandparent is always still an ancestor, so a concurrent writer can only make
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// the chain shorter. Without halving, a long thin feature - a diffraction ring is exactly one -
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// builds a parent chain as long as the feature itself and every later merge walks all of it.
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__device__ __forceinline__ uint32_t find_root(uint32_t *parent, uint32_t a) {
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uint32_t p = parent[a];
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while (p != a) {
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const uint32_t gp = parent[p];
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if (gp == p) return p;
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parent[a] = gp;
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a = gp;
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p = parent[a];
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}
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return a;
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}
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// Lock-free union. Terminates because max(a,b) strictly decreases; converges on the component's
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// LOWEST index as its root, which is what the host's make_union does too.
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__device__ __forceinline__ void merge_roots(uint32_t *parent, uint32_t a, uint32_t b) {
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a = find_root(parent, a);
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b = find_root(parent, b);
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while (a != b) {
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if (a < b) { const uint32_t t = a; a = b; b = t; }
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const uint32_t old = atomicMin(&parent[a], b);
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if (old == a) return; // a was a root and now points at b: done
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a = find_root(parent, old); // someone re-parented a; carry on from its root
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b = find_root(parent, b);
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}
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}
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__global__ void init_parent(uint32_t *__restrict__ parent, const uint32_t *__restrict__ nstrong,
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uint32_t capacity) {
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const int n = static_cast<int>(min(*nstrong, capacity));
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for (int i = blockIdx.x * blockDim.x + threadIdx.x; i < n; i += blockDim.x * gridDim.x)
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parent[i] = i;
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}
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// The list is sorted by flat index, so a pixel's 8-neighbours that come EARLIER in it are exactly
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// four: (line, col-1), (line-1, col-1), (line-1, col) and (line-1, col+1). Each is one binary
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// search away, which is what makes the sparse formulation cheap.
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__global__ void union_neighbours(const uint32_t *__restrict__ index, uint32_t *__restrict__ parent,
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const uint32_t *__restrict__ nstrong, uint32_t capacity, int width) {
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const int n = static_cast<int>(min(*nstrong, capacity));
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if (static_cast<uint32_t>(n) >= capacity) return;
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for (int i = blockIdx.x * blockDim.x + threadIdx.x; i < n; i += blockDim.x * gridDim.x) {
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const uint32_t flat = index[i];
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const uint32_t col = flat % width;
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const uint32_t line = flat / width;
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uint32_t candidate[4];
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int ncandidate = 0;
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if (col > 0) candidate[ncandidate++] = flat - 1;
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if (line > 0 && col > 0) candidate[ncandidate++] = flat - width - 1;
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if (line > 0) candidate[ncandidate++] = flat - width;
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if (line > 0 && col + 1 < static_cast<uint32_t>(width)) candidate[ncandidate++] = flat - width + 1;
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for (int k = 0; k < ncandidate; k++) {
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const int j = lower_bound_device(index, i, candidate[k]);
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if (j < i && index[j] == candidate[k]) merge_roots(parent, static_cast<uint32_t>(i), static_cast<uint32_t>(j));
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}
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}
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}
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__global__ void resolve_roots(uint32_t *__restrict__ parent, uint32_t *__restrict__ root,
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const uint32_t *__restrict__ nstrong, uint32_t capacity) {
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const int n = static_cast<int>(min(*nstrong, capacity));
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for (int i = blockIdx.x * blockDim.x + threadIdx.x; i < n; i += blockDim.x * gridDim.x)
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root[i] = find_root(parent, static_cast<uint32_t>(i));
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}
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// Everything after the labelling, in three launches and still one host synchronisation: hand out
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// labels and clear each component's sums (one block), add every pixel to its component (all blocks),
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// then filter by max-pix and shape and compact (one block) - each step order-preserving or made of
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// integer sums, so the result does not depend on the order anything runs in.
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__global__ void label_components(const uint32_t *__restrict__ root, uint32_t *__restrict__ label,
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SpotExtractorGPUSpot *__restrict__ scratch, uint32_t *__restrict__ nlabel_out,
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uint32_t *__restrict__ nout, const uint32_t *__restrict__ nstrong,
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uint32_t capacity) {
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const int n = static_cast<int>(min(*nstrong, capacity));
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if (threadIdx.x == 0) {
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*nout = 0;
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*nlabel_out = 0;
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}
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__syncthreads();
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// The same give-up the host makes at StrongPixelLimit - except that here the count is known
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// before a single pixel has been written anywhere, so the frame costs nothing to reject.
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if (n == 0 || static_cast<uint32_t>(n) >= capacity) return;
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__shared__ uint32_t shared[FINISH_THREADS];
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const int t = threadIdx.x, nthreads = blockDim.x;
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const int chunk = (n + nthreads - 1) / nthreads;
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const int lo = min(t * chunk, n), hi = min(lo + chunk, n);
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// Labels, by a prefix sum over the roots in ascending order - the order the host's second scan
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// hands them out in, which is what makes the spot ORDER identical.
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uint32_t nroot = 0;
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for (int i = lo; i < hi; i++) nroot += (root[i] == static_cast<uint32_t>(i)) ? 1u : 0u;
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shared[t] = nroot;
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__syncthreads();
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for (int d = 1; d < nthreads; d <<= 1) {
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const uint32_t v = (t >= d) ? shared[t - d] : 0u;
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__syncthreads();
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shared[t] += v;
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__syncthreads();
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}
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uint32_t next_label = shared[t] - nroot;
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for (int i = lo; i < hi; i++)
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if (root[i] == static_cast<uint32_t>(i)) label[i] = next_label++;
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const int nlabel = static_cast<int>(shared[nthreads - 1]);
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if (t == 0) *nlabel_out = nlabel;
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for (int l = t; l < nlabel; l += nthreads) {
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SpotExtractorGPUSpot &s = scratch[l];
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s.x = 0;
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s.y = 0;
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s.photons = 0;
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s.max_photons = LLONG_MIN;
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s.pixel_count = 0;
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s.bbox_side = 0;
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}
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}
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// The bounding box of each component (x, y = lowest and highest column, z, w = lowest and highest
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// line), kept aside from the sums while they are being accumulated.
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__global__ void init_boxes(int4 *__restrict__ box, const uint32_t *__restrict__ nlabel) {
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const int n = static_cast<int>(*nlabel);
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for (int l = blockIdx.x * blockDim.x + threadIdx.x; l < n; l += blockDim.x * gridDim.x)
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box[l] = make_int4(INT_MAX, INT_MIN, INT_MAX, INT_MIN);
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}
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// Every strong pixel into its component: the member count, the sums exactly as DiffractionSpot::AddPixel
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// forms them (integers, so the order the atomics arrive in does not matter and host and device agree by
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// construction) and the bounding box.
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__global__ void sum_components(const uint32_t *__restrict__ index, const int32_t *__restrict__ value,
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const uint32_t *__restrict__ root, const uint32_t *__restrict__ label,
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SpotExtractorGPUSpot *__restrict__ scratch, int4 *__restrict__ box,
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const uint32_t *__restrict__ nstrong, uint32_t capacity, int width) {
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const int n = static_cast<int>(min(*nstrong, capacity));
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if (static_cast<uint32_t>(n) >= capacity) return;
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for (int i = blockIdx.x * blockDim.x + threadIdx.x; i < n; i += blockDim.x * gridDim.x) {
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const uint32_t l = label[root[i]];
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const long long counts = value[i];
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const int col = static_cast<int>(index[i] % width), line = static_cast<int>(index[i] / width);
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SpotExtractorGPUSpot &s = scratch[l];
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atomicAdd(reinterpret_cast<unsigned long long *>(&s.x), static_cast<unsigned long long>(col * counts));
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atomicAdd(reinterpret_cast<unsigned long long *>(&s.y), static_cast<unsigned long long>(line * counts));
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atomicAdd(reinterpret_cast<unsigned long long *>(&s.photons), static_cast<unsigned long long>(counts));
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atomicMax(reinterpret_cast<long long *>(&s.max_photons), counts);
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atomicAdd(&s.pixel_count, 1);
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atomicMin(&box[l].x, col);
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atomicMax(&box[l].y, col);
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atomicMin(&box[l].z, line);
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atomicMax(&box[l].w, line);
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}
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}
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// Size and shape filter, compacted by a prefix sum so the surviving spots keep their order. The test
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// is SpotShapeAccepted written out - the constants come in as arguments rather than being included
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// here, so there is exactly one definition of them.
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__global__ void filter_components(SpotExtractorGPUSpot *__restrict__ scratch, const int4 *__restrict__ box,
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SpotExtractorGPUSpot *__restrict__ out, uint32_t *__restrict__ nout,
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const uint32_t *__restrict__ nlabel_in,
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int max_pix, int shape_free_pix, int min_fill_percent) {
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const int nlabel = static_cast<int>(*nlabel_in);
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if (nlabel == 0) return;
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__shared__ uint32_t shared[FINISH_THREADS];
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const int t = threadIdx.x, nthreads = blockDim.x;
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auto keep = [&](const SpotExtractorGPUSpot &s) {
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if (s.pixel_count > max_pix) return false;
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if (s.pixel_count <= shape_free_pix) return true;
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return static_cast<long long>(s.pixel_count) * 100
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>= static_cast<long long>(min_fill_percent) * s.bbox_side * s.bbox_side;
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};
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const int label_chunk = (nlabel + nthreads - 1) / nthreads;
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const int label_lo = min(t * label_chunk, nlabel), label_hi = min(label_lo + label_chunk, nlabel);
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uint32_t nkeep = 0;
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for (int i = label_lo; i < label_hi; i++) {
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scratch[i].bbox_side = max(box[i].y - box[i].x, box[i].w - box[i].z) + 1;
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nkeep += keep(scratch[i]) ? 1u : 0u;
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}
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shared[t] = nkeep;
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__syncthreads();
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for (int d = 1; d < nthreads; d <<= 1) {
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const uint32_t v = (t >= d) ? shared[t - d] : 0u;
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__syncthreads();
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shared[t] += v;
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__syncthreads();
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}
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uint32_t pos = shared[t] - nkeep;
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for (int i = label_lo; i < label_hi; i++)
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if (keep(scratch[i])) out[pos++] = scratch[i];
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if (t == nthreads - 1) *nout = shared[t];
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}
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} // namespace
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SpotExtractorGPU::SpotExtractorGPU(int32_t in_width, int32_t in_height, std::shared_ptr<CudaStream> in_stream)
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: stream(std::move(in_stream)),
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width(in_width),
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nwords((static_cast<size_t>(in_width) * in_height + 31) / 32),
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max_strong(StrongPixelLimit(static_cast<size_t>(in_width) * in_height)),
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gpu_res_mask(nwords),
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gpu_nstrong(1),
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gpu_index(max_strong),
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gpu_value(max_strong),
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gpu_parent(max_strong),
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gpu_root(max_strong),
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gpu_label(max_strong),
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gpu_box(max_strong),
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gpu_nlabel(1),
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gpu_spot(max_strong),
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gpu_spot_out(max_strong),
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gpu_nspot(1),
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host_nstrong(1),
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host_nspot(1),
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host_spot(SPOT_PREFIX) {
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// One block per few hundred words: enough blocks to fill the device, few enough that the serial
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// emission inside a block stays short even when a whole detector row lights up.
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compact_blocks = static_cast<int>((nwords + 255) / 256);
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if (compact_blocks > 4096) compact_blocks = 4096;
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if (compact_blocks < 1) compact_blocks = 1;
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gpu_block_count = CudaDevicePtr<uint32_t>(compact_blocks);
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gpu_block_offset = CudaDevicePtr<uint32_t>(compact_blocks);
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// Nothing excluded except the padding bits of the last word - the same starting point as
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// ImageSpotFinder's own mask, so the two agree even when no resolution mask is ever set.
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std::vector<uint32_t> mask(nwords, 0);
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const size_t npixel = static_cast<size_t>(in_width) * in_height;
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if (npixel % 32 != 0)
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mask.back() = ~((1u << (npixel % 32)) - 1u);
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// On this engine's stream, then synchronised - the default stream is non-blocking, so a NULL-stream
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// copy is not ordered against the kernels that read this mask.
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cuda_err(cudaMemcpyAsync(gpu_res_mask, mask.data(), nwords * sizeof(uint32_t),
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cudaMemcpyHostToDevice, *stream));
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cuda_err(cudaStreamSynchronize(*stream));
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|
}
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void SpotExtractorGPU::SetResolutionMask(const std::vector<uint32_t> &packed_mask) {
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if (packed_mask.size() != nwords)
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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|
"SpotExtractorGPU::SetResolutionMask: mask size mismatch");
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|
cuda_err(cudaMemcpyAsync(gpu_res_mask, packed_mask.data(), nwords * sizeof(uint32_t),
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|
cudaMemcpyHostToDevice, *stream));
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|
cuda_err(cudaStreamSynchronize(*stream));
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|
}
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|
|
|
void SpotExtractorGPU::Extract(const uint32_t *gpu_strong, const int32_t *gpu_image,
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|
const SpotFindingSettings &settings, std::vector<DiffractionSpot> &spots) {
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const int max_pix = static_cast<int>(settings.max_pix_per_spot);
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|
|
|
count_bits<<<compact_blocks, THREADS, 0, *stream>>>(gpu_strong, gpu_res_mask, gpu_block_count, nwords);
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|
cuda_err(cudaGetLastError());
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|
scan_block_counts<<<1, FINISH_THREADS, 0, *stream>>>(gpu_block_count, gpu_block_offset, gpu_nstrong,
|
|
compact_blocks);
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|
cuda_err(cudaGetLastError());
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|
scatter_bits<<<compact_blocks, 32, 0, *stream>>>(gpu_strong, gpu_res_mask, gpu_block_offset, gpu_image,
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|
gpu_index, gpu_value, nwords, max_strong);
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|
cuda_err(cudaGetLastError());
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|
// Fixed grids reading the strong-pixel count from device memory: the host never learns it, so it
|
|
// never has to synchronise in the middle of the frame.
|
|
init_parent<<<512, THREADS, 0, *stream>>>(gpu_parent, gpu_nstrong, max_strong);
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|
cuda_err(cudaGetLastError());
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|
union_neighbours<<<512, THREADS, 0, *stream>>>(gpu_index, gpu_parent, gpu_nstrong, max_strong, width);
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|
cuda_err(cudaGetLastError());
|
|
resolve_roots<<<512, THREADS, 0, *stream>>>(gpu_parent, gpu_root, gpu_nstrong, max_strong);
|
|
cuda_err(cudaGetLastError());
|
|
label_components<<<1, FINISH_THREADS, 0, *stream>>>(gpu_root, gpu_label, gpu_spot, gpu_nlabel, gpu_nspot,
|
|
gpu_nstrong, max_strong);
|
|
cuda_err(cudaGetLastError());
|
|
init_boxes<<<512, THREADS, 0, *stream>>>(gpu_box, gpu_nlabel);
|
|
cuda_err(cudaGetLastError());
|
|
sum_components<<<512, THREADS, 0, *stream>>>(gpu_index, gpu_value, gpu_root, gpu_label, gpu_spot, gpu_box,
|
|
gpu_nstrong, max_strong, width);
|
|
cuda_err(cudaGetLastError());
|
|
filter_components<<<1, FINISH_THREADS, 0, *stream>>>(gpu_spot, gpu_box, gpu_spot_out, gpu_nspot, gpu_nlabel,
|
|
max_pix, static_cast<int>(SPOT_SHAPE_FREE_PIXELS),
|
|
static_cast<int>(SPOT_MIN_FILL_PERCENT));
|
|
cuda_err(cudaGetLastError());
|
|
// Rides along with the spot count on the frame's one synchronisation, so knowing how many strong
|
|
// pixels there were costs nothing.
|
|
cuda_err(cudaMemcpyAsync(host_nstrong, gpu_nstrong, sizeof(uint32_t), cudaMemcpyDeviceToHost, *stream));
|
|
cuda_err(cudaMemcpyAsync(host_nspot, gpu_nspot, sizeof(uint32_t), cudaMemcpyDeviceToHost, *stream));
|
|
cuda_err(cudaMemcpyAsync(host_spot, gpu_spot_out, SPOT_PREFIX * sizeof(SpotExtractorGPUSpot),
|
|
cudaMemcpyDeviceToHost, *stream));
|
|
cuda_err(cudaStreamSynchronize(*stream)); // the only synchronisation in the frame
|
|
|
|
const uint32_t nspot = *host_nspot.get();
|
|
const SpotExtractorGPUSpot *s = host_spot.get();
|
|
if (nspot > SPOT_PREFIX) {
|
|
overflow_spot.resize(nspot);
|
|
cuda_err(cudaMemcpyAsync(overflow_spot.data(), gpu_spot_out, nspot * sizeof(SpotExtractorGPUSpot),
|
|
cudaMemcpyDeviceToHost, *stream));
|
|
cuda_err(cudaStreamSynchronize(*stream));
|
|
s = overflow_spot.data();
|
|
}
|
|
|
|
spots.clear();
|
|
spots.reserve(nspot);
|
|
for (uint32_t i = 0; i < nspot; i++)
|
|
spots.emplace_back(s[i].x, s[i].y, s[i].pixel_count, s[i].photons, s[i].max_photons);
|
|
}
|