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Getting Started with CHAMP

This section guides you through the essential steps to get CHAMP up and running on your system. Whether you're setting up CHAMP on a desktop workstation or a high-performance computing cluster, these guides will help you install, configure, and begin using CHAMP for quantum Monte Carlo calculations.

What You'll Find Here

Installation

Complete installation guides for CHAMP covering multiple platforms and configurations:

  • Dependencies - Installation guides for all required and optional libraries:
    • CMake - Build system setup
    • Compilers - Fortran and C compiler installation for all supported platforms
    • BLAS/LAPACK - Linear algebra libraries from various vendors (Intel MKL, OpenBLAS, BLIS, etc.)
    • TREXIO - Optional library for reading wavefunction data (recommended)
    • QMCkl - Optional high-performance QMC kernel library
  • Building from Source - Detailed instructions for compiling CHAMP with various compilers (GNU, Intel, LLVM, NVIDIA HPC, Fujitsu) and optional libraries (TREXIO, QMCkl)

Command-Line Interface

Learn how to use CHAMP from the command line:

  • Command-line options and flags
  • Input and output file specifications
  • Execution modes (VMC and DMC)

  • MPI execution examples

  • Common usage patterns

Recipes for Supercomputers

Specific installation guides and job scripts for major supercomputing centers:

  • LUMI - Recipes for the pre-exascale EuroHPC LUMI supercomputer
  • Fugaku - Recipes for the Fugaku supercomputer
  • Snellius - Recipes for the Dutch national supercomputer
  • CCPHead - Recipes for the CCPHead cluster

Quick Navigation

New users should follow this path:

  1. Start with Installation → Dependencies to install required libraries
  2. Follow Installation → Building from Source to compile CHAMP
  3. Learn the Command-Line Interface to run calculations
  4. Proceed to Tutorials for hands-on examples

If you're on a supercomputer:

  1. Check if your system has a dedicated guide in the Installation section
  2. Follow the platform-specific instructions for module loading and compilation
  3. Use the provided job script templates for your first runs

Prerequisites

Before you begin, you should have:

  • Basic familiarity with Linux/Unix command line
  • Access to a system with a Fortran compiler and MPI
  • Understanding of your system's module environment (for HPC systems)

Support

If you encounter issues during installation or setup:

  • Consult the Troubleshooting Guide
  • Review the platform-specific guide for your system
  • Check the dependency installation guides for library-specific issues
  • Visit the GitHub repository for community support