Tutorials

• Simple Introduction
• Ensemble with an MPI Application
  • Getting Started
  • Calling Script
    • Exercise
  • Simulation Function
  • Running the example
    • Exercises
  • Running forces application with input file
    • Multiple parameters
• Executor - Assign GPUs
  • Simulation function
  • Compiling the Forces application
  • Running the example
  • Changing the number of GPUs per worker
  • Varying resources
  • Multiple applications
  • Checking GPU usage
  • Example submission script
• Surrogate Modeling with gpCAM
  • Generator function
  • Simulator function
  • Calling Script
  • Rerun and test model at known points
  • Viewing model progression
• Optimization with APOSMM
  • Six-Hump Camel Simulation Function
  • APOSMM Operations
  • Calling Script
  • Final Setup, Run, and Output
  • Applications
• Calibration with Simulation Cancellation
  • Introduction - Calibration with libEnsemble and a Regression Model
  • Overview of the Calibration Problem
  • Point Cancellation Requests and Dedicated Fields
  • Allocation Function and Cancellation Configuration
  • Calling Script - Reading Results
  • Using cancellations to kill running simulations
• Bayesian Optimization with Xopt
  • Imports
  • Simulator Function
  • Setup
  • Approach 1: Using Xopt-style Simulator (Callable Function)
  • Approach 2: Using libEnsemble-style Simulator Function