Applications

Common HPC applications working on Arm.

Biosciences

BLAST

BLAST finds regions of similarity between biological sequences. The program compares nucleotide or protein sequences to sequence databases and calculates the statistical significance.

MrBayes

MrBayes performs Bayesian inference of phylogeny. It uses Markov Chain Monte Carlo (MCMC) methods to estimate the  distribution of model parameters.



Chemistry and materials

GAMESS

A tool to perform numerical experiments in a virtual laboratory with time-dependent adaptive meshes and within complex, and time-dependent model geometries

GROMACS

A molecular dynamics package primarily designed for biomolecular systems, such as, proteins and lipids.

LAMMPS

A classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator.

NAMD

A parallel, object-oriented molecular dynamics code designed for high-performance simulation of large biomolecular systems.

NWChem

Provides its users with computational chemistry tools that are scalable in treating large scientific computational chemistry problems efficiently, and through parallel computing resources.

ONETEP

ONETEP (Order-N Electronic Total Energy Package) is a linear-scaling code for quantum-mechanical calculations based on density-functional theory.

QMCPACK

An open-source production level many‑body, ab initio, Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids.

Quantum Espresso

An integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale.


Computational Fluid Dynamics (CFD)

OpenFOAM

Open source CFD toolbox. Solve  complex fluid flows involving chemical reactions, turbulence and heat transfer, solid mechanics and electromagnetics.


High-energy physics

GEANT4

A toolkit for simulating the passage of particles through matter, such as in high energy, nuclear and accelerator physics, as well as medical and space studies.

MILC

MILC is a Quantum Chromodynamics (QCD) code for SU(3) lattice gauge theory.


Weather and climate

NEMO

Nucleus for European Modelling of the Ocean is a modeling framework for oceanographic research, operational oceanography seasonal forecast, and climate studies.

WRF

Mesoscale numerical weather prediction system designed for both atmospheric research and operational forecasting needs.



Benchmarks and mini-apps

HPCG

HPCG complements the High‑Performance LINPACK (HPL) benchmark. It is designed to exercise computational and data access patterns that more broadly match the patterns of real HPC applications.

HPL

HPL is a software package that solves a random, dense linear system in double precision (64 bit) arithmetic on distributed-memory computers. It can be regarded as a portable and freely available implementation of the High‑Performance LINPACK (HPL) benchmark.


Visualization

Paraview

An open-source, multi-platform data analysis and visualization application. Uses a BSD license, and is built on VTK.


VisIT

Parallel scientific visualization, built on VTK.



VMD

A molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting.


Looking for more?

More recipes for building common benchmarks and libraries are available on the Porting and Tuning page.

There is also the Arm GitLab repository where recipes can be contributed and maintained.

The Arm GitLab repository is maintained by Arm, but is community driven so anyone can join and contribute.

Note: The instructions found in the Arm GitLab repository are example instructions only.

Porting Guides

See the following guides for more information about porting your codes to Arm: