hpcsim 0.2.0

HPC GPU Cluster Simulator for ML/DL/LLM Workloads with Green-Aware RL Scheduling

HPCSim — HPC GPU/CPU Cluster Scheduler Simulator

Simulator nghiên cứu các thuật toán lập lịch cho HPC heterogeneous cluster, tích hợp năng lượng tái tạo và các thuật toán RL Scheduling.

Tính năng nổi bật

• Heterogeneous Cluster thực tế: GPU-only, CPU-only, Mixed CPU+GPU, MIG (A100/H100), MPS
• 3 loại tài nguyên: GPU vật lý, CPU cores, MIG slices — cấp phát độc lập
• 5 loại job: TrainingJob, InferenceJob, LLMJob, HPOJob, CPUJob, MIGJob, HybridJob
• 14 scheduler: FIFO, SJF, Tiresias, Gavel, Pollux, Themis, Chronus, ElasticFlow, MaxMin, Backfill + 2 RL (MaskablePPO, GAS-MARL)
• RL state space 121 × 12: Queue + Running + Green forecast + Cluster state
• Năng lượng xanh: Solar + Wind model, reward R = ReUtil − η × AvgBSLD

---

Cài đặt (uv)

# Cài uv nếu chưa có
curl -LsSf https://astral.sh/uv/install.sh | sh          # macOS/Linux
powershell -c "irm https://astral.sh/uv/install.ps1 | iex" # Windows

# Clone và cài
git clone https://github.com/your-org/hpcsim.git
cd hpcsim

uv sync               # core (không có PyTorch)
uv sync --extra rl    # với PyTorch (cần cho MaskablePPO, GAS-MARL)
uv sync --all-extras  # full (bao gồm dev tools)

# PyTorch CUDA version
uv pip install torch --index-url https://download.pytorch.org/whl/cu121  # CUDA 12.1
uv pip install torch --index-url https://download.pytorch.org/whl/cu118  # CUDA 11.8
uv pip install torch --index-url https://download.pytorch.org/whl/cpu    # CPU only

# Kiểm tra cài đặt
uv run hpcsim info
uv run hpcsim test

---

Quick Start

# 1. Smoke test
uv run hpcsim test

# 2. Simulation đơn (cluster mặc định hpc_realistic — có GPU + CPU nodes)
uv run hpcsim simulate --scheduler gavel --plot

# 3. So sánh schedulers (bao gồm CPU jobs)
uv run hpcsim benchmark --schedulers fifo,sjf,tiresias,gavel,pollux --plot

# 4. Train RL (GPU + CPU + MIG jobs)
uv run hpcsim train --algo all --epochs 300

# 5. So sánh RL vs classical
uv run hpcsim compare \
    --classical fifo,tiresias,gavel,pollux \
    --rl maskable_ppo,gas_marl \
    --plot

---

Cơ sở lý thuyết

Cluster và tài nguyên

HPCSim mô phỏng HPC heterogeneous cluster gồm ba loại node:

GPU-only node — Node chuyên GPU, không schedule CPU:

NodeSpec(gpu_type=GPUType.V100, num_nodes=4, gpus_per_node=8)

CPU-only node — Login node, data preprocessing, parameter server:

NodeSpec(node_type=NodeType.CPU_ONLY, cpu_type=CPUType.EPYC_7003,
         num_nodes=8, num_sockets=2, cores_per_socket=64)

Mixed node — Node thực tế: CPU cores + GPU accelerators:

NodeSpec(node_type=NodeType.MIXED,
         gpu_type=GPUType.A100, gpus_per_node=8,
         cpu_type=CPUType.EPYC_7002, num_sockets=2,
         mig_profile=MIGProfile.G1_10GB)  # tùy chọn: bật MIG

MIG (Multi-Instance GPU)

A100 và H100 hỗ trợ phân vùng phần cứng cứng (MIG):

Profile	Compute	Memory	Slots/GPU	Use case
1g.10gb	1/7	10 GB	7	Inference nhỏ, fine-tuning
2g.20gb	2/7	20 GB	3	Medium inference
3g.40gb	3/7	40 GB	2	Larger models
7g.80gb	7/7	80 GB	1	Full GPU (= không MIG)

Khác với MPS (time-sharing), MIG đảm bảo cách ly hoàn toàn — mỗi slice có compute engine, memory controller, và cache riêng.

Job Types

Loại	Class	Tài nguyên	Ví dụ
GPU training	TrainingJob	GPU(s)	ResNet, BERT fine-tuning
LLM	LLMJob	nhiều GPU	GPT-2, LLaMA pre-training
Inference	InferenceJob	GPU	Serving, batch scoring
HPO	HPOJob	nhiều GPU	Hyperparameter search
CPU-only	CPUJob	CPU cores	Data prep, feature eng.
MIG	MIGJob	MIG slice	Light inference, sharing
Hybrid	HybridJob	GPU + CPU	Training + DataLoader

Scheduling Algorithms

#	Tên	Loại	Nguồn
1	FIFO	Classical	—
2	SJF	Classical	—
3	Tiresias (LAS)	Classical	Gu et al., NSDI'19
4	E-LAS	Classical	Sultana et al., ICPP'20
5	MLFQ	Classical	HPC standard
6	Gavel	Classical	Narayanan et al., OSDI'20
7	Pollux	Classical	Qiao et al., OSDI'21
8	Themis	Classical	Mahajan et al., NSDI'20
9	Chronus	Classical	Gao et al., SoCC'21
10	ElasticFlow	Classical	Gu et al., ASPLOS'23
11	MaxMinFairness	Classical	Ghodsi et al., NSDI'11
12	Backfill	Classical	HPC standard (EASY)
13	MaskablePPO	RL	PPO + action masking
14	GAS-MARL	RL	Chen et al., FGCS'25

Reward Function (RL)

R = ReUtil − η × AvgBSLD

ReUtil  = ∫ P_renewable(t) dt / ∫ P_total(t) dt
AvgBSLD = mean[ (wait_time + exec_time) / max(τ, estimated_runtime) ]
η       = 0.005  (điều chỉnh bằng --eta)

---

Cấu trúc dự án

hpcsim/
├── src/hpcsim/
│   ├── cluster/
│   │   ├── hardware.py      # GPUSpec, CPUSpec, MIGProfile, ServerNode
│   │   └── cluster.py       # NodeSpec, Cluster, CLUSTER_CONFIGS
│   ├── workload/
│   │   ├── job.py           # TrainingJob, CPUJob, MIGJob, HybridJob, ...
│   │   └── generator.py     # WorkloadGenerator, WorkloadConfig
│   ├── scheduler/
│   │   └── schedulers.py    # 14 schedulers (BaseScheduler, ...)
│   ├── simulator/
│   │   └── engine.py        # Discrete-event simulation engine
│   ├── metrics/
│   │   └── collector.py     # MetricsCollector (GPU + CPU + energy)
│   ├── energy/
│   │   └── renewable.py     # Solar + Wind power model
│   ├── rl/
│   │   ├── env.py           # HPCGreenEnv (121×12 obs, CPU/MIG/Hybrid)
│   │   ├── networks.py      # MaskablePPOActor/Critic, GASMARLActor/Critic
│   │   ├── maskable_ppo.py  # MaskablePPOAgent + train loop
│   │   ├── gas_marl.py      # GASMARLAgent + train loop
│   │   └── train.py         # CLI train entry point
│   ├── benchmark/
│   │   └── runner.py        # BenchmarkRunner
│   └── cli.py               # 11-command CLI
├── docs/
│   ├── simulation-guide.md  # Cluster, Job, Metrics API
│   ├── rl-training.md       # RL state space, action, reward, training
│   └── custom-scheduler.md  # Viết scheduler mới
├── pyproject.toml
└── README.md

---

CLI — Tất cả lệnh

hpcsim info         Thông tin môi trường, packages, GPU
hpcsim list         Liệt kê schedulers, clusters, traces
hpcsim test         Smoke tests (30-60 giây)

hpcsim simulate     Chạy một simulation
hpcsim benchmark    So sánh nhiều schedulers
hpcsim generate     Tạo workload trace
hpcsim replay       Chạy lại workload đã lưu

hpcsim train        Train RL (maskable_ppo / gas_marl / all)
hpcsim eval         Đánh giá model đã train
hpcsim compare      So sánh RL vs classical
hpcsim plot         Vẽ biểu đồ từ CSV

Ví dụ chi tiết

# --- Simulation ---

# Cluster hpc_realistic: có GPU + CPU nodes, workload hỗn hợp
uv run hpcsim simulate \
    --scheduler gavel \
    --cluster hpc_realistic \
    --duration 86400 \
    --arrival-rate 30 \
    --seed 42 \
    --plot \
    --output-json results_gavel.json

# Cluster A100 với MIG
uv run hpcsim simulate \
    --scheduler fifo \
    --cluster a100_mig_cluster \
    --plot

# --- Benchmark ---

# So sánh 5 runs, lưu CSV
uv run hpcsim benchmark \
    --schedulers fifo,sjf,tiresias,gavel,pollux \
    --cluster hpc_realistic \
    --runs 5 \
    --duration 86400 \
    --output-csv bench.csv \
    --plot

# --- Workload ---

# Tạo workload có CPU jobs (mặc định từ v0.3)
uv run hpcsim generate \
    --duration 86400 \
    --arrival-rate 25 \
    --seed 42 \
    --output workload.json

# Replay workload đã lưu với các schedulers khác nhau
uv run hpcsim replay --workload workload.json --scheduler fifo  --output-json r_fifo.json
uv run hpcsim replay --workload workload.json --scheduler gavel --output-json r_gavel.json

# --- RL Training ---

# Train với cluster có CPU nodes (mặc định từ v0.3)
uv run hpcsim train --algo all --epochs 300 --traj 200 --cluster hpc_realistic

# Train với A100 MIG cluster
uv run hpcsim train --algo all --epochs 300 --cluster a100_mig_cluster

# Resume từ checkpoint
uv run hpcsim train --algo maskable_ppo --resume auto --epochs 200

# Điều chỉnh trade-off xanh vs latency
uv run hpcsim train --algo all --eta 0.001   # ưu tiên renewable energy
uv run hpcsim train --algo all --eta 0.02    # ưu tiên latency

# Đánh giá
uv run hpcsim eval \
    --model-dir models/ \
    --algo all \
    --episodes 20 \
    --output-csv eval.csv

# So sánh RL vs classical (5 runs mỗi scheduler)
uv run hpcsim compare \
    --classical fifo,sjf,tiresias,gavel,pollux \
    --rl maskable_ppo,gas_marl \
    --cluster hpc_realistic \
    --runs 5 \
    --output-csv compare.csv \
    --plot

# --- Plots ---
uv run hpcsim plot --type learning-curve --input models/maskable_ppo/train_log.csv
uv run hpcsim plot --type benchmark      --input bench.csv --output bench_plot.png

---

API nhanh

import sys; sys.path.insert(0, "src")

# ── Cluster ──────────────────────────────────────────────────────────────────
from hpcsim.cluster.cluster import Cluster, CLUSTER_CONFIGS
cluster = Cluster(CLUSTER_CONFIGS["hpc_realistic"])
print(cluster.describe())
# → GPUs=128, CPU cores=1984, 28 nodes

# ── Workload ─────────────────────────────────────────────────────────────────
from hpcsim.workload.generator import WorkloadGenerator, WorkloadConfig
from hpcsim.workload.job import CPUJob, MIGJob, HybridJob, ResourceType

jobs = WorkloadGenerator(WorkloadConfig(duration=3600, rng_seed=42)).generate()
print(f"Generated {len(jobs)} jobs")
# Mix mặc định: ~62% GPU, 8% CPU, 3% MIG, 2% Hybrid, ...

# ── Simulation ───────────────────────────────────────────────────────────────
from hpcsim.simulator.engine import SimulationEngine
from hpcsim.scheduler.schedulers import SCHEDULER_REGISTRY
from hpcsim.energy.renewable import RenewableEnergyModule

scheduler = SCHEDULER_REGISTRY["gavel"](cluster)
engine = SimulationEngine(cluster, scheduler, jobs,
                          energy_module=RenewableEnergyModule())
summary = engine.run()
print(summary)
# avg_jct_s, avg_bsld, avg_gpu_util, avg_cpu_util,
# renewable_energy_utilization, total_energy_kwh, ...

# ── RL Environment ───────────────────────────────────────────────────────────
from hpcsim.rl.env import HPCGreenEnv, EnvConfig
import numpy as np

env = HPCGreenEnv(EnvConfig(cluster_config="hpc_realistic"))
obs = env.reset()              # (1452,) = 121 × 12
mask = env.action_mask1()      # (64,) — 1 = schedulable
action = int(np.argmax(mask))
obs, reward, done, *_ = env.step(action)

---

Workflow nghiên cứu điển hình

1. Benchmark schedulers

uv run hpcsim generate --duration 86400 --seed 42 --output wl.json
for sched in fifo sjf tiresias gavel pollux; do
    uv run hpcsim replay --workload wl.json --scheduler $sched \
        --output-json results_$sched.json
done
uv run hpcsim plot --type benchmark --input bench.csv

2. Nghiên cứu ảnh hưởng CPU fraction

# Thay đổi tỉ lệ CPU jobs và so sánh kết quả
for cpu_frac in [0.0, 0.05, 0.10, 0.20]:
    cfg = WorkloadConfig(cpu_fraction=cpu_frac, rng_seed=42)
    jobs = WorkloadGenerator(cfg).generate()
    # ... chạy simulation với từng scheduler

3. Pipeline RL đầy đủ

# Train
uv run hpcsim train --algo all --epochs 500 --cluster hpc_realistic

# Evaluate
uv run hpcsim eval --model-dir models/ --episodes 30 --output-csv eval.csv

# Compare
uv run hpcsim compare \
    --classical fifo,tiresias,gavel,pollux \
    --rl maskable_ppo,gas_marl \
    --runs 5 --plot --output-csv compare.csv

# Plot learning curves
uv run hpcsim plot --type learning-curve \
    --input models/maskable_ppo/train_log.csv
uv run hpcsim plot --type learning-curve \
    --input models/gas_marl/train_log.csv

---

Tài liệu chi tiết

Tài liệu	Nội dung
docs/simulation-guide.md	Cluster, NodeSpec, Job API, Metrics
docs/rl-training.md	State space, Action masking CPU/MIG, Training, Eval
docs/custom-scheduler.md	Viết scheduler mới kế thừa BaseScheduler

---

Tham khảo

@article{10.1145/3638757,
author = {Ye, Zhisheng and Gao, Wei and Hu, Qinghao and Sun, Peng and Wang, Xiaolin and Luo, Yingwei and Zhang, Tianwei and Wen, Yonggang},
title = {Deep Learning Workload Scheduling in GPU Datacenters: A Survey},
year = {2024},
issue_date = {June 2024},
publisher = {Association for Computing Machinery},
address = {New York, NY, USA},
volume = {56},
number = {6},
issn = {0360-0300},
url = {https://doi.org/10.1145/3638757},
doi = {10.1145/3638757},
journal = {ACM Comput. Surv.},
month = jan,
articleno = {146},
numpages = {38},
keywords = {Deep learning systems, datacenter scheduling}
}

@manual{nvidia_mig_guide,
  title        = {Multi-Instance GPU (MIG)},
  author       = {{NVIDIA Corporation}},
  year         = {2023},
  url          = {https://docs.nvidia.com/dgx/dgxa100-user-guide/using-mig.html},
  note         = {Accessed: February 25, 2026},
  organization = {NVIDIA Corporation},
  howpublished = {\url{https://docs.nvidia.com/dgx/dgxa100-user-guide/using-mig.html}}
}

@article{CHEN2025107760,
title = {GAS-MARL: Green-Aware job Scheduling algorithm for HPC clusters based on Multi-Action Deep Reinforcement Learning},
journal = {Future Generation Computer Systems},
volume = {167},
pages = {107760},
year = {2025},
issn = {0167-739X},
doi = {https://doi.org/10.1016/j.future.2025.107760},
url = {https://www.sciencedirect.com/science/article/pii/S0167739X2500055X},
author = {Rui Chen and Weiwei Lin and Huikang Huang and Xiaoying Ye and Zhiping Peng},
keywords = {Job scheduling, High-performance computing, Deep Reinforcement Learning, Renewable energy, Green computing},
}

@Article{a18070385,
AUTHOR = {Chab, Robert and Li, Fei and Setia, Sanjeev},
TITLE = {Algorithmic Techniques for GPU Scheduling: A Comprehensive Survey},
JOURNAL = {Algorithms},
VOLUME = {18},
YEAR = {2025},
NUMBER = {7},
ARTICLE-NUMBER = {385},
URL = {https://www.mdpi.com/1999-4893/18/7/385},
ISSN = {1999-4893},
}

@inproceedings{10.1145/3748273.3749212,
author = {Kumar, Sumit and Temura, Arjun and Sharma, Naman and Singh, Ramanjeet and Dadhania, Meet and Tammana, Praveen and Burla, Satananda and Kamaluddin, Abed Mohammad and Shah, Rinku},
title = {Simulating LLM training workloads for heterogeneous compute and network infrastructure},
year = {2025},
isbn = {9798400720826},
publisher = {Association for Computing Machinery},
address = {New York, NY, USA},
url = {https://doi.org/10.1145/3748273.3749212},
doi = {10.1145/3748273.3749212},
booktitle = {Proceedings of the 2nd Workshop on Networks for AI Computing},
pages = {105–107},
numpages = {3},
keywords = {Distributed Training, Heterogeneous GPU Cluster, LLM Simulator},
location = {Coimbra, Portugal},
series = {NAIC '25}
}