Welcome to libEnsemble’s documentation!

libEnsemble is a library to coordinate the concurrent evaluation of dynamic ensembles of calculations.

• New to libEnsemble? Start here.

• Try out libEnsemble with a tutorial.

• Go in depth by reading the Overview.

• Check the FAQ for common questions and answers, errors, and resolutions.

User Guide:

• Quickstart
  • Dependencies
  • Installation
  • Testing
  • Basic Usage
  • Resources
• Advanced Installation
  • pip
  • Conda
  • Spack
• Understanding libEnsemble
  • Overview
  • Example Use Cases
  • Glossary
• Programming with libEnsemble
  • The Main libE Module
  • The History Array
  • History and Log Files
  • Output Working Directory Structure
  • Data Structures
  • User Function API
  • Writing User Functions
  • Executor
  • Logging
  • Convenience Tools and Functions
• Running libEnsemble
  • MPI Comms
  • Local Comms
  • TCP Comms
  • Persistent Workers
  • Environment Variables
  • Further run information
• Running on HPC Systems
  • Central v Distributed
  • Configuring the Run
  • Systems with Launch/MOM nodes
  • Mapping Tasks to Resources
  • Overriding Auto-detection
  • Instructions for Specific Platforms

Tutorials:

• Multiprocessing with a Simple Sine
  • Getting started
  • Generator function
  • Simulator function
  • Calling script
  • Next steps
• Executor with Electrostatic Forces
  • Getting Started
  • Calling Script
  • Simulation Function
  • Executor Variants
• Parallel Optimization with APOSMM
  • Six-Hump Camel Simulation Function
  • APOSMM Operations
  • APOSMM Persistence
  • Calling Script
  • Final Setup, Run, and Output
  • Applications
• Borehole Calibration with Selective Simulation Cancellation
  • Introduction - Calibration with libEnsemble and a Regression Model
  • Overview of the Calibration Problem
  • Point Cancellation Requests and Dedicated Fields
  • Allocation function
  • Calling Script - Reading Results
  • Using cancellations to kill running simulations
• Example User Functions and Calling Scripts
  • Generation Functions
  • Simulation Functions
  • Allocation Functions
  • Calling Scripts

Additional References:

• Frequently Asked Questions
  • Common Errors
  • HPC Errors and Questions
  • libEnsemble Help
  • macOS-Specific Errors
• Known Issues
• Release Notes
  • Release 0.7.2
  • Release 0.7.1
  • Release 0.7.0
  • Release 0.6.0
  • Release 0.5.2
  • Release 0.5.1
  • Release 0.5.0
  • Release 0.4.1
  • Release 0.4.0
  • Release 0.3.0
  • Release 0.2.0
  • Release 0.1.0
• Contributing to libEnsemble
• Posters and Presentations
  • SciPy 2020 Virtual Poster
  • SciPy 2020 PDF Poster
  • CSE 2019 Poster

Developer Guide:

• Release Management for libEnsemble
  • Release Process
  • Release Platforms
• libEnsemble Internal Modules
  • Manager Module
  • Worker Module
  • History Module
  • Resources Module
  • MPI Resources Module
  • Environment Resources Module
  • Node Resources Module

Indices and tables

• Index

• Module Index