Applications

NREL maintains a variety of applications for use on the HPC systems. Please see the navigation bar on the left under "Applications" for more information on a specific application.

These applications can be accessed through environment modules on the systems. Some may not be available on all systems, and there may be some additional packages installed that don't have a dedicated page here. Please run the module avail command on a system to see what is available.

The following are packages that the NREL Computational Science Center supports:

Name	Description
Ansys	Enables modeling, simulation, and visualization of flow, turbulence, heat transfer and reactions for industrial applications
AMR-Wind	A massively parallel, block-structured adaptive-mesh, incompressible flow solver for wind turbine and wind farm simulations
Bonmin	Open source solver that leverages CBC and IPOPT to solve general mixed integer nonlinear programs (MINLP)
CBC	Open-source optimizer for solving mixed integer programs (MIP)
Chemical Kinetics	An overview of packages for chemical kinetics, thermodynamics, transport processes etc.
CLP	Open-source linear program solver
COMSOL	Multiphysics simulation environment
Converge	HPC CFD+, focused on engine modeling and simulation
Couenne	Open-source mixed integer nonlinear programming (MINLP) global optimization solver
FEniCS	Solving partial differential equations by the finite element method
GAMS	High-level modeling system for mathematical programming and optimization
Gaussian	Program for calculating molecular electronic structure and reactivity
Gurobi	Solver for mathematical programming
IPOPT	Open-source interior point nonlinear optimizer
LAMMPS	Open-source classical molecular dynamics program designed for massively parallel systems
MACE	MACE is a machine learning framework for developing interatomic potentials
MATLAB	General technical computing framework
OpenFOAM	Software for computational fluid dynamics
PLEXOS	Simulation software for modeling electric, gas, and water systems for optimizing energy markets
Q-Chem	ab initio quantum chemistry package for predicting molecular structures, reactivities, and vibrational, electronic and NMR spectra
STAR-CCM+	Engineering simulation package from CD-adapco for solving problems involving flow of fluids or solids, heat transfer, and stress
VASP	Atomic scale materials modeling, e.g., electronic structure calculations and quantum-mechanical molecular dynamics, from first principles
WRF	Mesoscale numerical weather prediction system designed for both atmospheric research and operational forecasting applications
Xpress	Optimization algorithms and technologies to solve linear, mixed integer and non-linear problems