hpc-runner 0.5.0

Unified HPC job submission across multiple schedulers

hpc-runner

Unified HPC job submission across multiple schedulers

Write your jobs once, run them on any cluster - SGE, Slurm, PBS, or locally for testing.

Features

• Unified CLI - Same commands work across SGE, Slurm, PBS
• Python API - Programmatic job submission with dependencies and pipelines
• Auto-detection - Automatically finds your cluster's scheduler
• Interactive TUI - Monitor jobs with a terminal dashboard
• Job Dependencies - Chain jobs with afterok, afterany, afternotok
• Array Jobs - Batch processing with throttling support
• Virtual Environment Handling - Automatic venv activation on compute nodes
• Module Integration - Load environment modules in job scripts
• Dry-run Mode - Preview generated scripts before submission

Installation

pip install hpc-runner

Or with uv:

uv pip install hpc-runner

Quick Start

CLI

# Basic job submission
hpc run python train.py

# With resources
hpc run --cpu 4 --mem 16G --time 4:00:00 "python train.py"

# GPU job
hpc run --queue gpu --cpu 4 --mem 32G "python train.py --epochs 100"

# Preview without submitting
hpc run --dry-run --cpu 8 "make -j8"

# Interactive session
hpc run --interactive bash

# Array job
hpc run --array 1-100 "python process.py --task-id \$SGE_TASK_ID"

# Wait for completion
hpc run --wait python long_job.py

Python API

from hpc_runner import Job

# Create and submit a job
job = Job(
    command="python train.py",
    cpu=4,
    mem="16G",
    time="4:00:00",
    queue="gpu",
)
result = job.submit()

# Wait for completion
status = result.wait()
print(f"Exit code: {result.returncode}")

# Read output
print(result.read_stdout())

Job Dependencies

from hpc_runner import Job

# First job
preprocess = Job(command="python preprocess.py", cpu=8, mem="32G")
result1 = preprocess.submit()

# Second job runs after first succeeds
train = Job(command="python train.py", cpu=4, mem="48G", queue="gpu")
train.after(result1, type="afterok")
result2 = train.submit()

Pipelines

from hpc_runner import Pipeline

with Pipeline("ml_workflow") as p:
    p.add("python preprocess.py", name="preprocess", cpu=8)
    p.add("python train.py", name="train", depends_on=["preprocess"], queue="gpu")
    p.add("python evaluate.py", name="evaluate", depends_on=["train"])

results = p.submit()
p.wait()

Scheduler Support

Scheduler	Status	Notes
SGE	Fully implemented	qsub, qstat, qdel, qrsh
Local	Fully implemented	Run as subprocess (for testing)
Slurm	Planned	sbatch, squeue, scancel
PBS	Planned	qsub, qstat, qdel

Auto-detection Priority

1. HPC_SCHEDULER environment variable
2. SGE (SGE_ROOT or qstat available)
3. Slurm (sbatch available)
4. PBS (qsub with PBS)
5. Local fallback

Configuration

hpc-runner uses TOML configuration files. Location priority:

1. --config /path/to/config.toml
2. ./hpc-runner.toml
3. ./pyproject.toml under [tool.hpc-runner]
4. Git repository root hpc-runner.toml
5. ~/.config/hpc-runner/config.toml
6. Package defaults

Example Configuration

[defaults]
cpu = 1
mem = "4G"
time = "1:00:00"
inherit_env = true

[schedulers.sge]
parallel_environment = "smp"
memory_resource = "mem_free"
purge_modules = true

[types.gpu]
queue = "gpu"
resources = [{name = "gpu", value = 1}]

[types.interactive]
queue = "interactive"
time = "8:00:00"

Use named job types:

hpc run --job-type gpu "python train.py"

SGE Configuration

SGE clusters vary widely in how resources are named. The [schedulers.sge] section lets you match your site's conventions without touching job definitions.

How job fields map to SGE flags:

Job Field	SGE Flag	Configurable Via
cpu	-pe <pe_name> <slots>	parallel_environment
mem	-l <resource>=<value>	memory_resource
time	-l <resource>=<value>	time_resource
queue	-q <queue>	direct
resources	-l <name>=<value>	direct

Full [schedulers.sge] reference:

[schedulers.sge]
# Resource naming -- these must match your site's SGE configuration
parallel_environment = "smp"    # PE name for CPU slots (some sites use "mpi", "threaded", etc.)
memory_resource = "mem_free"    # Memory resource name (common alternatives: "h_vmem", "virtual_free")
time_resource = "h_rt"          # Time limit resource name (commonly "h_rt")

# Output handling
merge_output = true             # Merge stderr into stdout (-j y)

# Module system
purge_modules = true            # Run 'module purge' before loading job modules
silent_modules = false          # Suppress module command output (-s flag)
module_init_script = ""         # Path to module init script (auto-detected if empty)

# Environment
expand_makeflags = true         # Expand $NSLOTS in MAKEFLAGS for parallel make
unset_vars = []                 # Environment variables to unset in jobs
                                # e.g. ["https_proxy", "http_proxy"]

Fully populated config example:

[defaults]
scheduler = "auto"
cpu = 1
mem = "4G"
time = "1:00:00"
queue = "batch.q"
use_cwd = true
inherit_env = true
stdout = "hpc.%N.%J.out"
modules = ["gcc/12.2", "python/3.11"]
resources = [
  { name = "scratch", value = "20G" }
]

[schedulers.sge]
parallel_environment = "smp"
memory_resource = "mem_free"
time_resource = "h_rt"
merge_output = true
purge_modules = true
silent_modules = false
expand_makeflags = true
unset_vars = ["https_proxy", "http_proxy"]

[tools.python]
cpu = 4
mem = "16G"
time = "4:00:00"
queue = "short.q"
modules = ["-", "python/3.11"]   # leading "-" replaces the list instead of merging
resources = [
  { name = "tmpfs", value = "8G" }
]

[types.interactive]
queue = "interactive.q"
time = "8:00:00"
cpu = 2
mem = "8G"

[types.gpu]
queue = "gpu.q"
cpu = 8
mem = "64G"
time = "12:00:00"
resources = [
  { name = "gpu", value = 1 }
]

This config can also be embedded in pyproject.toml under [tool.hpc-runner].

TUI Monitor

Launch the interactive job monitor:

hpc monitor

Key bindings:

• q - Quit
• r - Refresh
• u - Toggle user filter (my jobs / all)
• / - Search
• Enter - View job details
• Tab - Switch tabs

CLI Reference

hpc run [OPTIONS] COMMAND

Options:
  --job-name TEXT       Job name
  --cpu INTEGER         Number of CPUs
  --mem TEXT            Memory (e.g., 16G, 4096M)
  --time TEXT           Time limit (e.g., 4:00:00)
  --queue TEXT          Queue/partition name
  --directory PATH      Working directory
  --module TEXT         Module to load (repeatable)
  --array TEXT          Array spec (e.g., 1-100, 1-100%5)
  --depend TEXT         Job dependencies
  --inherit-env         Inherit environment (default: true)
  --no-inherit-env      Don't inherit environment
  --interactive         Run interactively (qrsh/srun)
  --local               Run locally (no scheduler)
  --dry-run             Show script without submitting
  --wait                Wait for completion
  --keep-script         Keep job script for debugging
  -h, --help            Show help

Other commands:
  hpc status [JOB_ID]   Check job status
  hpc cancel JOB_ID     Cancel a job
  hpc monitor           Interactive TUI
  hpc config show       Show active configuration

Development

# Setup environment
source sourceme
source sourceme --clean  # Clean rebuild

# Run tests
pytest
pytest -v
pytest -k "test_job"

# Type checking
mypy src/hpc_runner

# Linting
ruff check src/hpc_runner
ruff format src/hpc_runner

License

MIT License - see LICENSE file for details.