quantrs2_anneal/scientific_performance_optimization/
parallel.rs

1//! Parallel processing types for scientific performance optimization.
2//!
3//! This module contains thread pools, task scheduling, load balancing,
4//! and parallel performance metrics.
5
6use std::collections::{HashMap, VecDeque};
7use std::sync::{Arc, Mutex};
8use std::thread;
9use std::time::{Duration, Instant};
10
11use crate::applications::protein_folding::ProteinSequence;
12
13use super::config::{LoadBalancingStrategy, ParallelProcessingConfig, TaskSchedulingStrategy};
14
15/// Advanced parallel processor
16pub struct AdvancedParallelProcessor {
17    /// Configuration
18    pub config: ParallelProcessingConfig,
19    /// Thread pool
20    pub thread_pool: ThreadPool,
21    /// Task scheduler
22    pub task_scheduler: TaskScheduler,
23    /// Load balancer
24    pub load_balancer: LoadBalancer,
25    /// Performance metrics
26    pub performance_metrics: ParallelPerformanceMetrics,
27}
28
29impl AdvancedParallelProcessor {
30    /// Create a new parallel processor
31    #[must_use]
32    pub fn new(config: ParallelProcessingConfig) -> Self {
33        Self {
34            config,
35            thread_pool: ThreadPool::new(num_cpus::get()),
36            task_scheduler: TaskScheduler::new(),
37            load_balancer: LoadBalancer::new(),
38            performance_metrics: ParallelPerformanceMetrics::default(),
39        }
40    }
41}
42
43/// Thread pool implementation
44#[derive(Debug)]
45pub struct ThreadPool {
46    /// Worker threads
47    pub workers: Vec<WorkerThread>,
48    /// Task queue
49    pub task_queue: Arc<Mutex<VecDeque<Task>>>,
50    /// Thread pool statistics
51    pub statistics: ThreadPoolStatistics,
52}
53
54impl ThreadPool {
55    /// Create a new thread pool
56    #[must_use]
57    pub fn new(size: usize) -> Self {
58        Self {
59            workers: Vec::with_capacity(size),
60            task_queue: Arc::new(Mutex::new(VecDeque::new())),
61            statistics: ThreadPoolStatistics::default(),
62        }
63    }
64
65    /// Get the number of workers
66    #[must_use]
67    pub fn worker_count(&self) -> usize {
68        self.workers.len()
69    }
70
71    /// Get pending task count
72    #[must_use]
73    pub fn pending_tasks(&self) -> usize {
74        self.task_queue.lock().map(|q| q.len()).unwrap_or(0)
75    }
76}
77
78/// Worker thread representation
79#[derive(Debug)]
80pub struct WorkerThread {
81    /// Thread identifier
82    pub id: usize,
83    /// Thread handle
84    pub handle: Option<thread::JoinHandle<()>>,
85    /// Current task
86    pub current_task: Option<String>,
87    /// Thread statistics
88    pub statistics: WorkerStatistics,
89}
90
91impl WorkerThread {
92    /// Create a new worker thread
93    #[must_use]
94    pub fn new(id: usize) -> Self {
95        Self {
96            id,
97            handle: None,
98            current_task: None,
99            statistics: WorkerStatistics::default(),
100        }
101    }
102
103    /// Check if worker is busy
104    #[must_use]
105    pub fn is_busy(&self) -> bool {
106        self.current_task.is_some()
107    }
108}
109
110/// Task representation for parallel processing
111#[derive(Debug)]
112pub struct Task {
113    /// Task identifier
114    pub id: String,
115    /// Task priority
116    pub priority: TaskPriority,
117    /// Task function
118    pub function: TaskFunction,
119    /// Task dependencies
120    pub dependencies: Vec<String>,
121    /// Estimated execution time
122    pub estimated_time: Duration,
123}
124
125/// Task function types
126#[derive(Debug)]
127pub enum TaskFunction {
128    /// Protein folding task
129    ProteinFolding(ProteinFoldingTask),
130    /// Materials science task
131    MaterialsScience(MaterialsScienceTask),
132    /// Drug discovery task
133    DrugDiscovery(DrugDiscoveryTask),
134    /// Generic computation task
135    Generic(GenericTask),
136}
137
138/// Task priorities
139#[derive(Debug, Clone, PartialEq, Eq, PartialOrd)]
140pub enum TaskPriority {
141    Low = 1,
142    Medium = 2,
143    High = 3,
144    Critical = 4,
145}
146
147/// Protein folding specific task
148#[derive(Debug)]
149pub struct ProteinFoldingTask {
150    /// Protein sequence
151    pub sequence: ProteinSequence,
152    /// Lattice parameters
153    pub lattice_params: LatticeParameters,
154    /// Optimization parameters
155    pub optimization_params: OptimizationParameters,
156}
157
158/// Materials science specific task
159#[derive(Debug)]
160pub struct MaterialsScienceTask {
161    /// Crystal structure
162    pub crystal_structure: CrystalStructure,
163    /// Simulation parameters
164    pub simulation_params: SimulationParameters,
165    /// Analysis requirements
166    pub analysis_requirements: AnalysisRequirements,
167}
168
169/// Drug discovery specific task
170#[derive(Debug)]
171pub struct DrugDiscoveryTask {
172    /// Molecular structure
173    pub molecular_structure: String,
174    /// Interaction targets
175    pub targets: Vec<InteractionTarget>,
176    /// Property constraints
177    pub property_constraints: PropertyConstraints,
178}
179
180/// Generic computation task
181#[derive(Debug)]
182pub struct GenericTask {
183    /// Task description
184    pub description: String,
185    /// Input data
186    pub input_data: Vec<u8>,
187    /// Computation type
188    pub computation_type: ComputationType,
189}
190
191/// Task scheduler for intelligent task distribution
192#[derive(Debug)]
193pub struct TaskScheduler {
194    /// Scheduling strategy
195    pub strategy: TaskSchedulingStrategy,
196    /// Task queue
197    pub task_queue: VecDeque<Task>,
198    /// Scheduled tasks
199    pub scheduled_tasks: HashMap<String, ScheduledTask>,
200    /// Scheduler statistics
201    pub statistics: SchedulerStatistics,
202}
203
204impl TaskScheduler {
205    /// Create a new task scheduler
206    #[must_use]
207    pub fn new() -> Self {
208        Self {
209            strategy: TaskSchedulingStrategy::WorkStealing,
210            task_queue: VecDeque::new(),
211            scheduled_tasks: HashMap::new(),
212            statistics: SchedulerStatistics::default(),
213        }
214    }
215
216    /// Add a task to the queue
217    pub fn add_task(&mut self, task: Task) {
218        self.task_queue.push_back(task);
219    }
220
221    /// Get next task based on strategy
222    pub fn next_task(&mut self) -> Option<Task> {
223        match self.strategy {
224            TaskSchedulingStrategy::FIFO => self.task_queue.pop_front(),
225            TaskSchedulingStrategy::Priority => {
226                // Find highest priority task
227                let mut best_idx = None;
228                let mut best_priority = TaskPriority::Low;
229                for (idx, task) in self.task_queue.iter().enumerate() {
230                    if task.priority >= best_priority {
231                        best_priority = task.priority.clone();
232                        best_idx = Some(idx);
233                    }
234                }
235                best_idx.and_then(|idx| self.task_queue.remove(idx))
236            }
237            _ => self.task_queue.pop_front(),
238        }
239    }
240}
241
242impl Default for TaskScheduler {
243    fn default() -> Self {
244        Self::new()
245    }
246}
247
248/// Scheduled task representation
249#[derive(Debug)]
250pub struct ScheduledTask {
251    /// Task
252    pub task: Task,
253    /// Assigned worker
254    pub assigned_worker: usize,
255    /// Scheduled time
256    pub scheduled_time: Instant,
257    /// Expected completion
258    pub expected_completion: Instant,
259}
260
261/// Load balancer for dynamic resource allocation
262#[derive(Debug)]
263pub struct LoadBalancer {
264    /// Balancing strategy
265    pub strategy: LoadBalancingStrategy,
266    /// Worker loads
267    pub worker_loads: HashMap<usize, WorkerLoad>,
268    /// Balancing decisions
269    pub decisions: VecDeque<BalancingDecision>,
270    /// Balancer statistics
271    pub statistics: LoadBalancerStatistics,
272}
273
274impl LoadBalancer {
275    /// Create a new load balancer
276    #[must_use]
277    pub fn new() -> Self {
278        Self {
279            strategy: LoadBalancingStrategy::RoundRobin,
280            worker_loads: HashMap::new(),
281            decisions: VecDeque::new(),
282            statistics: LoadBalancerStatistics::default(),
283        }
284    }
285
286    /// Select best worker for a task
287    #[must_use]
288    pub fn select_worker(&self) -> Option<usize> {
289        match self.strategy {
290            LoadBalancingStrategy::LeastLoaded => self
291                .worker_loads
292                .iter()
293                .min_by(|a, b| {
294                    a.1.cpu_usage
295                        .partial_cmp(&b.1.cpu_usage)
296                        .unwrap_or(std::cmp::Ordering::Equal)
297                })
298                .map(|(id, _)| *id),
299            LoadBalancingStrategy::RoundRobin => {
300                // Simple round-robin would need state tracking
301                self.worker_loads.keys().next().copied()
302            }
303            _ => self.worker_loads.keys().next().copied(),
304        }
305    }
306
307    /// Update worker load
308    pub fn update_load(&mut self, worker_id: usize, load: WorkerLoad) {
309        self.worker_loads.insert(worker_id, load);
310    }
311}
312
313impl Default for LoadBalancer {
314    fn default() -> Self {
315        Self::new()
316    }
317}
318
319/// Worker load information
320#[derive(Debug, Clone)]
321pub struct WorkerLoad {
322    /// Worker identifier
323    pub worker_id: usize,
324    /// Current CPU usage
325    pub cpu_usage: f64,
326    /// Current memory usage
327    pub memory_usage: f64,
328    /// Task queue length
329    pub queue_length: usize,
330    /// Performance score
331    pub performance_score: f64,
332}
333
334impl WorkerLoad {
335    /// Create a new worker load
336    #[must_use]
337    pub fn new(worker_id: usize) -> Self {
338        Self {
339            worker_id,
340            cpu_usage: 0.0,
341            memory_usage: 0.0,
342            queue_length: 0,
343            performance_score: 1.0,
344        }
345    }
346
347    /// Calculate overall load score
348    #[must_use]
349    pub fn load_score(&self) -> f64 {
350        (self.cpu_usage + self.memory_usage) / 2.0 + self.queue_length as f64 * 0.1
351    }
352}
353
354/// Load balancing decision
355#[derive(Debug, Clone)]
356pub struct BalancingDecision {
357    /// Decision timestamp
358    pub timestamp: Instant,
359    /// Source worker
360    pub source_worker: usize,
361    /// Target worker
362    pub target_worker: usize,
363    /// Tasks moved
364    pub tasks_moved: Vec<String>,
365    /// Decision rationale
366    pub rationale: String,
367}
368
369// Placeholder types for task parameters
370
371/// Lattice parameters for protein folding
372#[derive(Debug, Clone, Default)]
373pub struct LatticeParameters {}
374
375/// Optimization parameters
376#[derive(Debug, Clone, Default)]
377pub struct OptimizationParameters {}
378
379/// Crystal structure for materials science
380#[derive(Debug, Clone, Default)]
381pub struct CrystalStructure {}
382
383/// Defect analysis result
384#[derive(Debug, Clone, Default)]
385pub struct DefectAnalysisResult {}
386
387/// Simulation parameters
388#[derive(Debug, Clone, Default)]
389pub struct SimulationParameters {}
390
391/// Analysis requirements
392#[derive(Debug, Clone, Default)]
393pub struct AnalysisRequirements {}
394
395/// Interaction target for drug discovery
396#[derive(Debug, Clone, Default)]
397pub struct InteractionTarget {}
398
399/// Property constraints for drug discovery
400#[derive(Debug, Clone, Default)]
401pub struct PropertyConstraints {}
402
403/// Computation types
404#[derive(Debug, Clone, PartialEq, Eq)]
405pub enum ComputationType {
406    Optimization,
407    Simulation,
408    Analysis,
409}
410
411// Statistics types
412
413/// Parallel performance metrics
414#[derive(Debug, Clone, Default)]
415pub struct ParallelPerformanceMetrics {
416    /// Parallel efficiency
417    pub parallel_efficiency: f64,
418    /// Total tasks completed
419    pub tasks_completed: u64,
420    /// Average task time
421    pub avg_task_time: Duration,
422    /// Throughput (tasks per second)
423    pub throughput: f64,
424}
425
426/// Thread pool statistics
427#[derive(Debug, Clone, Default)]
428pub struct ThreadPoolStatistics {
429    /// Total tasks submitted
430    pub tasks_submitted: u64,
431    /// Tasks completed
432    pub tasks_completed: u64,
433    /// Tasks failed
434    pub tasks_failed: u64,
435    /// Average wait time
436    pub avg_wait_time: Duration,
437}
438
439/// Worker statistics
440#[derive(Debug, Clone, Default)]
441pub struct WorkerStatistics {
442    /// Tasks executed
443    pub tasks_executed: u64,
444    /// Total execution time
445    pub total_execution_time: Duration,
446    /// Idle time
447    pub idle_time: Duration,
448    /// Errors encountered
449    pub errors: u64,
450}
451
452/// Scheduler statistics
453#[derive(Debug, Clone, Default)]
454pub struct SchedulerStatistics {
455    /// Tasks scheduled
456    pub tasks_scheduled: u64,
457    /// Rescheduling count
458    pub rescheduling_count: u64,
459    /// Average scheduling time
460    pub avg_scheduling_time: Duration,
461}
462
463/// Load balancer statistics
464#[derive(Debug, Clone, Default)]
465pub struct LoadBalancerStatistics {
466    /// Rebalancing events
467    pub rebalancing_events: u64,
468    /// Tasks migrated
469    pub tasks_migrated: u64,
470    /// Load variance
471    pub load_variance: f64,
472}
quantrs2_anneal/scientific_performance_optimization/parallel.rs

quantrs2_anneal/scientific_performance_optimization/
parallel.rs
