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* ROCm for HPC table update for 6.4.0 (#5015) (#5016) * 6.4.0 updates synced * Minor change * Link update
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.. meta::
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:description: How to use ROCm for high-performance computing (HPC).
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:keywords: ROCm, AI, high performance computing, HPC, science, scientific
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******************
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Using ROCm for HPC
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******************
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The ROCm open-source software stack is optimized to extract high-performance
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computing (HPC) workload performance from AMD Instinct™ accelerators
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while maintaining compatibility with industry software frameworks.
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ROCm enhances support and access for developers by providing streamlined and
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improved tools that significantly increase productivity. Being open-source, ROCm
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fosters innovation, differentiation, and collaboration within the developer
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community, making it a powerful and accessible solution for leveraging the full
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potential of AMD accelerators' capabilities in diverse computational
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applications.
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* For more information, see :doc:`What is ROCm? <../../what-is-rocm>`.
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* For guidance on installing ROCm, see :doc:`rocm-install-on-linux:index`. See
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the :doc:`Compatibility matrix <../../compatibility/compatibility-matrix>` for details on hardware
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and operating system support.
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Some of the most popular HPC frameworks are part of the ROCm platform, including
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those to help parallelize operations across multiple accelerators and servers,
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handle memory hierarchies, and solve linear systems.
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.. image:: ../../data/how-to/rocm-for-hpc/hpc-stack-2024_6_20.png
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:align: center
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:alt: Software and hardware ecosystem surrounding ROCm and AMD Instinct for HPC
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The following catalog of GPU-accelerated solutions includes a vast set of
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platform-compatible HPC applications, including those for astrophysics, climate
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and weather, computational chemistry, computational fluid dynamics, earth
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science, genomics, geophysics, molecular dynamics, and physics computing.
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Refer to the resources in the following table for instructions on building,
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running, and deploying these applications on ROCm-capable systems with AMD
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Instinct accelerators. Each build container provides parameters to specify
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different source code branches, release versions of ROCm, OpenMPI, UCX, and
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Ubuntu versions.
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.. _hpc-apps:
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..
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Reduce font size of HPC app descriptions slightly.
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.. raw:: html
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<style>
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#hpc-apps-table tr td:last-child {
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font-size: 0.9rem;
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}
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</style>
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.. container::
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:name: hpc-apps-table
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.. list-table::
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:header-rows: 1
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:stub-columns: 1
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:widths: 2 2 5
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* - Application domain
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- HPC application
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- Description
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* - Physics
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- `Chroma <https://github.com/amd/InfinityHub-CI/tree/main/chroma/>`_
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- The Chroma package supports data-parallel programming constructs for lattice
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field theory and in particular lattice QCD. It uses the SciDAC QDP++ data-parallel
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programming (in C++) that presents a single high-level code image to the user,
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but can generate highly optimized code for many architectural systems including
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single node workstations, multi and many-core nodes, clusters of nodes via
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QMP, and classic vector computers.
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* -
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- `MILC <https://github.com/amd/InfinityHub-CI/tree/main/milc/>`_
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- The MILC Code is a set of research codes developed by MIMD Lattice Computation
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(MILC) collaboration for doing simulations of four dimensional SU(3) lattice gauge
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theory on MIMD parallel machines scaling from single-processor workstations
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to HPC systems. The MILC Code is publicly available for research purposes.
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Publications of work done using this code or derivatives of this code should
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acknowledge this use.
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* -
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- `QUDA <https://github.com/amd/InfinityHub-CI/tree/main/quda>`_
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- Library designed for efficient lattice QCD computations on
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accelerators. It includes optimized Dirac operators and a variety of
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fermion solvers and conjugate gradient (CG) implementations, enhancing
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performance and accuracy in lattice QCD simulations.
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* -
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- `PIConGPU <https://github.com/amd/InfinityHub-CI/tree/main/picongpu>`_
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- PIConGPU (Particle-in-cell on Graphics Processing Units) is an Open Source
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simulations framework for plasma and laser-plasma physics used to develop
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advanced particle accelerators for radiation therapy of cancer, high energy
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physics and photon science.
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* - Astrophysics
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- `Cholla <https://github.com/amd/InfinityHub-CI/tree/main/cholla/>`_
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- An astrophysical simulation code developed for the extreme environments
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encountered in astrophysical systems.
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* - Geophysics
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- `SPECFEM3D Cartesian <https://github.com/amd/InfinityHub-CI/tree/main/specfem3d>`_
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- SPECFEM3D Cartesian simulates acoustic (fluid), elastic (solid), coupled
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acoustic/elastic, poroelastic or seismic wave propagation in any type of
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conforming mesh of hexahedra (structured or not.) It can, for instance,
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model seismic waves propagating in sedimentary basins or any other
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regional geological model following earthquakes. It can also be used
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for non-destructive testing or for ocean acoustics.
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* - Molecular dynamics
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- `Amber <https://github.com/amd/InfinityHub-CI/tree/main/amber>`_
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- Amber is a suite of biomolecular simulation programs. It is a set of molecular mechanical force fields for
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simulating biomolecules. Amber is also a package of molecular simulation
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programs which includes source code and demos.
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* -
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- `GROMACS with HIP (AMD implementation) <https://github.com/amd/InfinityHub-CI/tree/main/gromacs>`_
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- GROMACS is a versatile package to perform molecular dynamics, i.e.
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simulate the Newtonian equations of motion for systems with hundreds
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to millions of particles. This AMD container is based on a released
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version of GROMACS modified by AMD. This container only supports up
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to a 8 GPU configuration
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* -
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- `LAMMPS <https://github.com/amd/InfinityHub-CI/tree/main/lammps>`_
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- LAMMPS is a classical molecular dynamics code with a focus on materials
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modeling. It's an acronym for Large-scale Atomic/Molecular Massively
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Parallel Simulator.
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* - Computational fluid dynamics
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- `Ansys Fluent <https://github.com/amd/InfinityHub-CI/tree/main/ansys-fluent>`_
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- Ansys Fluent is an advanced computational fluid dynamics (CFD) tool for
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simulating and analyzing fluid flow, heat transfer, and related phenomena in complex systems.
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It offers a range of powerful features for detailed and accurate modeling of various physical
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processes, including turbulence, chemical reactions, and multiphase flows.
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* -
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- `NEKO <https://github.com/amd/InfinityHub-CI/tree/main/neko>`_
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- Neko is a portable framework for high-order spectral element flow simulations.
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Written in modern Fortran, Neko adopts an object-oriented approach, allowing
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multi-tier abstractions of the solver stack and facilitating various hardware
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backends ranging from general-purpose processors, CUDA and HIP enabled
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accelerators to SX-Aurora vector processors.
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* -
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- `nekRS <https://github.com/amd/InfinityHub-CI/tree/main/nekrs>`_
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- nekRS is an open-source Navier Stokes solver based on the spectral element
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method targeting classical processors and accelerators like GPUs.
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* -
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- `OpenFOAM <https://github.com/amd/InfinityHub-CI/tree/main/openfoam>`_
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- OpenFOAM is a free, open-source computational fluid dynamics (CFD)
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tool developed primarily by OpenCFD Ltd. It has a large user
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base across most areas of engineering and science, from both commercial and
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academic organizations. OpenFOAM has extensive features to solve
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anything from complex fluid flows involving chemical reactions, turbulence, and
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heat transfer, to acoustics, solid mechanics, and electromagnetics.
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* -
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- `PeleC <https://github.com/amd/InfinityHub-CI/tree/main/pelec>`_
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- PeleC is an adaptive mesh refinement(AMR) solver for compressible reacting flows.
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* -
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- `Simcenter Star-CCM+ <https://github.com/amd/InfinityHub-CI/tree/main/siemens-star-ccm>`_
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- Simcenter Star-CCM+ is a comprehensive computational fluid dynamics (CFD) and multiphysics
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simulation tool developed by Siemens Digital Industries Software. It is designed to
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help engineers and researchers analyze and optimize the performance of products and
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systems across various industries.
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* - Quantum Monte Carlo Simulation
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- `QMCPACK <https://github.com/amd/InfinityHub-CI/tree/main/qmcpack>`_
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- QMCPACK is an open-source production-level many-body ab initio Quantum
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Monte Carlo code for computing the electronic structure of atoms, molecules, 2D
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nanomaterials and solids. The solid-state capabilities include metallic systems
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as well as insulators. QMCPACK is expected to run well on workstations through
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to the latest generation supercomputers. Besides high performance, particular
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emphasis is placed on code quality and reproducibility.
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* - Climate and weather
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- `MPAS <https://github.com/amd/InfinityHub-CI/tree/main/mpas>`_
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- The Model for Prediction Across Scales (MPAS) is a collaborative project for
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developing atmosphere, ocean, and other earth-system simulation components
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for use in climate, regional climate, and weather studies.
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* - Energy, Oil, and Gas
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- `DevitoPRO <https://github.com/amd/InfinityHub-CI/tree/main/devitopro>`_
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- DevitoPRO is an advanced extension of the open-source Devito platform with added
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features tailored for high-demand production workflows. It supports
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high-performance computing (HPC) needs, especially in seismic imaging and inversion.
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It is used to perform optimized finite difference (FD) computations
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from high-level symbolic problem definitions. DevitoPro performs automated
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code generation and Just-In-time (JIT) compilation based on symbolic equations
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defined in SymPy to create and execute highly optimized Finite Difference stencil
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kernels on multiple computer platforms.
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* -
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- `ECHELON <https://github.com/amd/InfinityHub-CI/tree/main/srt-echelon>`_
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- ECHELON by Stone Ridge Technology is a reservoir simulation tool. With
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fast processing, it retains precise accuracy and preserves legacy simulator results.
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Faster reservoir simulation enables reservoir engineers to produce many realizations,
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address larger models, and use advanced physics. It opens new workflows based on
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ensemble methodologies for history matching and forecasting that yield
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increased accuracy and more predictive results.
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* - Benchmark
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- `rocHPL <https://github.com/amd/InfinityHub-CI/tree/main/rochpl>`_
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- HPL, or High-Performance Linpack, is a benchmark which solves a uniformly
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random system of linear equations and reports floating-point execution rate.
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* -
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- `rocHPL-MxP <https://github.com/amd/InfinityHub-CI/tree/main/hpl-mxp>`_
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- Benchmark that highlights the convergence of HPC and AI workloads by
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solving a system of linear equations using novel, mixed-precision
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algorithms.
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* -
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- `HPCG <https://github.com/amd/InfinityHub-CI/tree/main/hpcg>`_
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- HPCG, or the High Performance Conjugate Gradient Benchmark complements
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the High Performance LINPACK (HPL) benchmark. The computational and data
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access patterns of HPCG are designed to closely match a broad set of important
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applications not represented by HPL, and to incentivize computer system
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designers to invest in capabilities that will benefit the collective performance
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of these applications.
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* - Tools and libraries
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- `AMD ROCm with OpenMPI container <https://github.com/amd/InfinityHub-CI/tree/main/base-gpu-mpi-rocm-docker>`_
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- Base container for GPU-aware MPI with ROCm for HPC applications. This
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project provides a boilerplate for building and running a Docker
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container with ROCm supporting GPU-aware MPI implementations using
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OpenMPI or UCX.
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* -
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- `AMD ROCm with MPICH container <https://github.com/amd/InfinityHub-CI/tree/main/base-mpich-rocm-docker>`_
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- Base container for GPU-aware MPI with ROCm for HPC applications. This
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project provides a boilerplate for building and running a Docker
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container with ROCm supporting GPU-aware MPI implementations using MPICH.
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* -
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- `Kokkos <https://github.com/amd/InfinityHub-CI/tree/main/kokkos>`_
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- Kokkos is a programming model in C++ for writing performance portable
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applications for use across HPC platforms. It provides abstractions for both
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parallel execution of code and data management. Kokkos is designed to target
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complex node architectures with N-level memory hierarchies and multiple types
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of execution resources.
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* -
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- `PyFR <https://github.com/amd/InfinityHub-CI/tree/main/pyfr>`_
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- PyFR is an open-source Python based framework for solving advection-diffusion
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type problems on streaming architectures using the Flux Reconstruction approach of
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Huynh. The framework is designed to solve a range of governing systems on mixed
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unstructured grids containing various element types. It is also designed to target a
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range of hardware platforms via use of an in-built domain specific language derived
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from the Mako templating engine.
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* -
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- `PETSc <https://github.com/amd/InfinityHub-CI/tree/main/petsc>`_
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- Portable, Extensible Toolkit for Scientific Computation (PETSc) is a suite of data structures
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and routines for the scalable (parallel) solution of scientific applications modeled by partial
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differential equations. It supports MPI, GPUs through CUDA, HIP, and OpenCL,
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as well as hybrid MPI-GPU parallelism. It also supports the NEC-SX Tsubasa Vector Engine.
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PETSc also includes the Toolkit for Advanced Optimization (TAO) library.
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* -
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- `RAJA <https://github.com/amd/InfinityHub-CI/tree/main/raja>`_
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- RAJA is a library of C++ software abstractions, primarily developed at Lawrence
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Livermore National Laboratory (LLNL), that enables architecture and programming
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model portability for HPC applications.
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* -
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- `Trilinos <https://github.com/amd/InfinityHub-CI/tree/main/trilinos>`_
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- The Trilinos Project is an effort to develop algorithms and enabling technologies
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within an object-oriented software framework for the solution of large-scale,
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complex multi-physics engineering and scientific problems.
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To learn about ROCm for AI applications, see :doc:`../rocm-for-ai/index`.
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