The Weather Research and Forecasting (WRF) Model is a next-generation mesoscale numerical weather prediction system designed for both atmospheric research and operational forecasting applications.

Earth System Sciences

High Performance Computing

Software

https://www.mmm.ucar.edu/weather-research-and-forecasting-model

FEniCSx

FEniCS Project

FEniCSx is a popular open-source (LGPLv3) computing platform for solving partial differential equations (PDEs).

Engineering, Life Sciences, Materials and Chemical Sciences, Other

High Performance Computing

Software

https://fenicsproject.org/

OpenFOAM

OpenCFD Ltd

OpenFOAM is the free, open source CFD software developed primarily by OpenCFD Ltd.

Earth System Sciences, Engineering, Other

High Performance Computing

Software

https://www.openfoam.com/

NWChem: Open Source High-Performance Computational Chemistry

Environmental Molecular Sciences Laboratory

NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters.

Life Sciences, Materials and Chemical Sciences

High Performance Computing

Software

https://www.nwchem-sw.org/

CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems.

Earth System Sciences, Life Sciences, Materials and Chemical Sciences

High Performance Computing

Software

https://www.cp2k.org/

LAMMPS Molecular Dynamics Simulator

Sandia National Labs and Temple University

LAMMPS is a classical molecular dynamics (MD) code.

Life Sciences, Materials and Chemical Sciences

High Performance Computing

Software

https://www.lammps.org/

GROMACS

BioExcel HPC Center of Excellence

GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.

Life Sciences, Materials and Chemical Sciences

High Performance Computing

Software

https://www.gromacs.org/

NetCDF

Unidata

NetCDF is a set of software libraries and self-describing, machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data.

Earth System Sciences, Engineering, Life Sciences, Materials and Chemical Sciences, Other

High Performance Computing

Software

https://www.unidata.ucar.edu/software/netcdf/docs/index.html

Matrix Algebra on GPU and Multicore Architectures (MAGMA)

INRIA Bordeaux - Sud Ouest, Inria Saclay/University Paris-Sud KAUST, University of California, Berkeley University of Colorado Denver

The MAGMA project aims to develop a dense linear algebra library similar to LAPACK but for heterogeneous/hybrid architectures, starting with current "Multicore+GPU" systems.

Generic

High Performance Computing

Software

https://icl.cs.utk.edu/magma/