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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
COMSOL Multiphysics simulation environment
Converge HPC CFD+, focused on engine modeling and simulation
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
LAMMPS Open-source classical molecular dynamics program designed for massively parallel systems
MATLAB General technical computing framework
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