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leonarski_fandClaude Opus 5.5 7e5e4c54e4
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rugnux: the model's first validation starts beside the analyses instead of after them
Validation reads of the final merge only its French-Wilson amplitudes, which the analyses
made last, from the anisotropy tensor. That tensor is a fit to the merged intensities alone
(the unmerged observations only give its error bar), so AnisotropyPriorHKL computes it from
the merge without the rest of the analysis, bit for bit what AnisotropyTensorHKL of the full
analysis gives (test). The first ValidateAgainstModel now runs from the start of the analyses
on a copy of the merge given those same amplitudes, on the caller's card (get_gpu), with its
log held and replayed where it was printed before; nothing it decides is acted on earlier.
The model's preparation (census wait, indexer pool, GPU hold, merge engine release) moves
with it.

Measured, --simulate-live 10 --fast-live, 4axt model, RTX 5080, analyses + validation steps:
strong lysozyme 0.91 -> 0.63 s, reference lysozyme 1.02 -> 0.66 s (validation beside the
analyses 0.60-0.62 s vs 0.39-0.45 s alone, CPU shared; analyses 0.53 -> 0.62 s). The
analyses were 80% waiting for the anisotropy (0.43 of 0.53 s), so starting on the full
analysis' tensor would have gained ~0.1 s. p.hkl, p_maps.mtz identical, p.mtz data identical,
all validation numbers identical.

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01PXc1zD1yxHqaR1DGdCTHL4
2026-10-19 13:53:36 +02:00

175 lines
9.2 KiB
C++

// SPDX-FileCopyrightText: 2024 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#pragma once
#include <chrono>
#include <cstddef>
#include <cstdint>
#include <optional>
#include <string>
#include <vector>
int32_t get_gpu_count();
// From here on get_gpu_count() is 0 without asking CUDA, so nothing in the process creates a context or
// touches a device and every GPU path takes its CPU path, as on a machine without a GPU: what
// CUDA_VISIBLE_DEVICES= does, asked for by the program (rugnux --no-gpu). Call it before anything uses
// CUDA; there is no way back.
void hide_gpus();
// Whether hide_gpus() was called - for a GPU path that is not CUDA's (the Metal integration engine), so
// --no-gpu keeps the process off every GPU.
bool gpus_are_hidden();
// Names of the visible GPUs, in device order and one entry per device, so repeated cards repeat.
// Empty without CUDA and on a machine with no device, which is also what get_gpu_count() == 0 says.
std::vector<std::string> get_gpu_names();
// The same list collapsed for a person: "4x NVIDIA A100-SXM4-80GB", or several such groups separated
// by ", " on a mixed machine. Empty when no GPU is visible.
std::string get_gpu_description();
// The device's total memory in bytes - not what is free at the moment. 0 without CUDA, or when the
// device cannot be queried.
size_t get_gpu_total_memory(int32_t dev_id);
// Free and total memory of the current device in bytes, as cudaMemGetInfo gives them - except on a GPU
// that shares the host's memory (cudaDevAttrIntegrated: GB10, Jetson), whose cudaMemGetInfo free is the
// host's MemFree and leaves out the page cache the kernel hands back on demand. There, on Linux, free is
// the host's MemAvailable less a tenth of the total, at most the total. For waiting on memory and for
// messages only: what runs on the GPU is decided on the total (get_gpu_total_memory), never on this.
// False without CUDA, or when the device cannot be queried.
bool get_gpu_free_memory(size_t &free_bytes, size_t &total_bytes);
void set_gpu(int32_t dev_id);
// The calling thread's current device (set_gpu), for a thread it starts to go on with on the same card.
// 0 without CUDA or a device.
int32_t get_gpu();
// Whether kernels on the current device read ordinary (pageable) host memory directly and at memory
// speed, so a host buffer can be handed to a kernel instead of being copied to the card first: true on
// a unified-memory system where the GPU walks the CPU's page tables (DGX Spark GB10, Grace Hopper GH200,
// GB200), false on a discrete card. Asked of the driver once per device. JFJOCH_FORCE_DIRECT_HOST_READ
// in the environment makes it true on every device - for testing the direct path on a discrete card,
// where only page-locked host memory is then readable. false without CUDA.
bool gpu_direct_host_read();
// Pin the calling thread to the next GPU in round-robin order, using a process-wide counter
// (counter++ % get_gpu_count()). Call once per thread; no thread id needed. No-op when no GPU
// is visible. Honours CUDA_VISIBLE_DEVICES via get_gpu_count().
void pin_gpu();
// From here on, pin_gpu() also keeps the calling thread on the CPUs of the NUMA node its GPU is
// attached to (ThreadAffinity.h) - on a machine with one node, or without CUDA, nothing changes.
// Off unless a program asks for it.
void enable_gpu_numa_binding();
// The NUMA node each visible GPU is attached to, in device order; -1 where it is not known or the
// machine has a single node. Empty without CUDA or a device.
std::vector<int> get_gpu_numa_nodes();
// pin_gpu() onto a given device: set_gpu(dev_id), and the NUMA binding above where it is enabled.
// For a worker that takes its card by index rather than round-robin.
void pin_gpu(int32_t dev_id);
// pin_gpu(dev_id) for as long as the object lives; then the calling thread gets back the device and
// the CPUs it had before. For a thread that drives a card only for a while - the merging engine, whose
// calls come from a thread that goes on to other work - where a pin for the rest of its life would
// carry the card's node onto everything that thread does, and starts, afterwards.
class ScopedGpuPin {
public:
explicit ScopedGpuPin(int32_t dev_id);
~ScopedGpuPin();
ScopedGpuPin(const ScopedGpuPin &) = delete;
ScopedGpuPin &operator=(const ScopedGpuPin &) = delete;
private:
int32_t prev_device = -1; // -1: nothing to give back
std::vector<int> prev_cpus; // empty: the CPUs were not changed
};
// Have every GPU's host threads BLOCK in a synchronisation (cudaDeviceScheduleBlockingSync) instead
// of spinning on a core until the device finishes. Must be called before anything creates a CUDA
// context; it creates none itself. No-op without CUDA.
void set_gpu_blocking_sync();
// Create the CUDA context of every device from first_device on, one thread per device, and return
// when they all exist - for a caller that runs it beside other work, so that the first use of a card
// does not wait for its context. No-op without CUDA.
void create_gpu_contexts(int32_t first_device);
// Destroy every device's CUDA context, one thread per device, for a program about to exit with no
// CUDA work left: at exit the runtime destroys them one after another, a fifth of a second per card.
// No-op without CUDA.
void release_gpu_contexts();
// Drop the error CUDA has recorded for the calling thread. Call it where a CUDA failure has been
// HANDLED - a device route that fell back to the host, an indexing attempt whose failure was turned
// into a result - because the error otherwise stays as the thread's last error and the next
// cuda_err(cudaGetLastError()) after some later kernel launch reports it, over work that went fine.
// A sticky error (an illegal access, say) is not cleared by this, and nothing here pretends it is:
// the context is gone in that case and every later call fails on its own. No-op without CUDA.
void cuda_clear_error();
// Throw if the CUDA context is lost - a sticky error (an illegal access, say) that every later call
// on this device will fail with. For a device route about to fall back to the host: there is no
// fallback from that, and falling back only moves the failure somewhere less clear. A handled,
// non-sticky failure passes. No-op without CUDA.
void cuda_throw_if_context_lost();
// GPU work that runs beside the main line of a process and gives all of its device memory back when it
// ends: a probe pass run on a copy of the run while the run itself scales and merges. Hold one for as
// long as that work runs. On a small card it waits first for the main line's image passes (GPUImagePass)
// and for other work beside to end. With after_merges it waits also for the main line's merges
// (GPUMerge) - unless `bytes`, what this work holds of the card at its most, and what the merges said
// they hold together fit within 80% of the card's total (on a card that pages what does not fit, like a
// WDDM card, the rest is the margin). Decided on those bytes and the total, never on what is free.
// Build-independent - it only counts.
class GPUWorkBeside {
public:
explicit GPUWorkBeside(bool after_merges = false, size_t bytes = 0);
~GPUWorkBeside();
GPUWorkBeside(const GPUWorkBeside &) = delete;
GPUWorkBeside &operator=(const GPUWorkBeside &) = delete;
};
// Wait until no GPUWorkBeside is held, for at most `timeout`. True once none is - at once if none was.
bool wait_for_gpu_work_beside(std::chrono::seconds timeout);
// The image pass of a run's main line - not of a probe holding a GPUWorkBeside: the stretch that holds
// the most of the card, and that never waits for a probe, so a probe that does not fit beside it can
// wait for it to end. Hold one for as long as the image pass runs. On a card too small for both, it
// waits first for the work beside to end. Build-independent - it only counts.
class GPUImagePass {
public:
GPUImagePass();
~GPUImagePass();
GPUImagePass(const GPUImagePass &) = delete;
GPUImagePass &operator=(const GPUImagePass &) = delete;
};
// The scaling, merging and model validation of a run's main line - not of a probe. A probe that the main
// line never waits for (the speculative geometry probe) waits for it where the two do not fit the card
// together: on a card that pages what does not fit rather than failing the allocation, the two would not
// fail but crawl. Until Holds says how much of the card the merge holds, it counts as not leaving room for
// any. It waits for nothing itself, so nothing that the main line waits for inside its merge - the
// rotation-scale walk's probes - can wait in a circle with it. Build-independent - it only counts.
class GPUMerge {
std::optional<size_t> bytes_;
public:
GPUMerge();
~GPUMerge();
GPUMerge(const GPUMerge &) = delete;
GPUMerge &operator=(const GPUMerge &) = delete;
// What the merge holds of the card from now on, at its most (an estimate fitted as an upper bound).
void Holds(size_t bytes);
};
// Whether the card is too small for a probe pass beside the main line's image pass (12 GB, decided on the
// first card's total memory), so that they take turns (GPUWorkBeside). Build-independent.
bool gpu_takes_turns();
// Wait until no GPUImagePass is held - at once if none was. With no timeout: an image pass waits for no
// probe, so it ends.
void wait_for_gpu_image_passes();