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libEnsemble v2.0 is released, with many new features and changes.
libEnsemble
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libEnsemble

User Guide:

  • Quickstart
  • Advanced Installation
  • Understanding libEnsemble
  • Constructing Workflows
    • Running an Ensemble
    • Configuring libEnsemble
      • LibE Specs
      • Generator Specs
      • Simulation Specs
      • Exit Criteria
      • Allocation Specs
      • Platform Specs
      • persis_info
    • Output Management
    • Writing User Functions
      • Generators
      • Simulator Functions
      • calc_status
    • Executors
    • Convenience Tools and Functions
  • Running libEnsemble
  • Running on HPC Systems
    • Aurora
    • Bebop
    • Frontier
    • Improv
    • Perlmutter
    • Polaris
    • libEnsemble with SLURM
    • Example Scheduler Submission Scripts

Tutorials:

  • Simple Introduction
  • Ensemble with an MPI Application
  • Executor - Assign GPUs
  • Surrogate Modeling with gpCAM
  • Optimization with APOSMM
  • Calibration with Simulation Cancellation
  • Bayesian Optimization with Xopt

Examples:

  • (New) Standardized Generators
    • sampling
    • APOSMM
    • gpCAM
  • Generator Functions
    • sampling
    • persistent_sampling
    • persistent_sampling_var_resources
    • APOSMM
    • uniform_or_localopt
    • ax_multitask
    • VTMOP
    • ytopt
    • consensus
    • DEAP-NSGA-II
    • gpCAM
    • persistent_fd_param_finder
    • persistent_surmise
  • Simulation Functions
    • Borehole function
    • Borehole function with kills
    • Chwirut1 vector-valued function
    • Inverse Bayesian likelihood
    • Norm
    • Rosenbrock test optimization function
    • Six Hump Camel
    • Test noisy function
    • Test periodic function
    • Variable resources
    • Template for CPU executables
    • Template for CPU executables with input file
    • Template for GPU executables
    • Template for GPU executables with dynamic resources
    • Template with dynamic resources (CPU app and GPU app)
    • WarpX Example
    • Mock simulation evaluations (re-run using history file)
  • Allocation Functions
  • Top-Level Scripts
  • Submission Scripts

Additional References:

  • History Array
  • Resource Manager
    • Dynamic Assignment of Resources
    • Resource Detection
    • Scheduler Module
    • Worker Resources Module
  • Allocation Functions
  • Frequently Asked Questions
  • Known Issues
  • Release Notes
  • Contributing to libEnsemble
  • Posters and Presentations

Developer Guide:

  • Release Management
    • Release Process
    • Release Platforms
      • GitHub release
      • PyPI release
      • Conda release
      • Spack release
  • Internal Modules
    • Manager Module
    • Worker Module
    • History Module
    • Resources Module
    • RSET Resources Module
    • Worker Resources Module
    • Environment Resources Module
    • Node Resources Module
    • MPI Resources Module
    • Scheduler Module
    • Work Dictionary
    • Worker Array
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Writing User FunctionsΒΆ

These guides describe common development patterns and optional components:

Writing User Functions

  • Generators
    • Writing a Generator
  • Simulator Functions
    • Writing a Simulator
    • Executor
    • Persistent Simulators

Useful Data Structures

  • calc_status
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