Applications

Common HPC applications working on Arm.

Molecular dynamics:

GROMACS

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

GAMESS

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

LAMMPS

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

NWChem

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

NAMD

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


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.


Computational Fluid Dynamics (CFD):

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.

OpenFOAM

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


Materials Science:

QMCPACK

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


Biosciences

MrBayes

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


BLAST

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


Quantum Chemistry:

Quantum Espresso

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

ONETEP

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


Physics

MILC

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


Weather and climate:

WRF

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


NEMO

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

Looking for more?

For more recipes for building applications and benchmarks not listed below, see the Arm GitLab repository.

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.