Installation

• Installation of FLARE
  • Requirements
  • Developer’s installation guide
  • Test FLARE installation
  • Trouble shooting
  • Acceleration with multiprocessing and MKL
    • Sparse Gaussian Process model
    • Full Gaussian Process model
• Compile LAMMPS with FLARE
  • Compilation with CMake
    • Compilation for GPU with Kokkos
  • Basic usage
    • Running on a GPU with Kokkos
  • Notes on Newton (only relevant with Kokkos)