Software Applications on the Eagle System

Software applications are available for use on NREL's Eagle system. The following are packages that the NREL Computational Science Center supports.

PLEASE NOTE: Application software network licenses managed by the NREL Computational Science Center, unless specifically negotiated, are for use on its HPC systems and should not be used as a substitute for personal workstation or workgroup licenses. Access to additional package licenses for use on non-HPC systems may be acquired through BOA.

Applications List

In addition to the listed packages, the Eagle user community supports software via "E-Com." To access, modify your modules search path to include /nopt/nrel/ecom/modules/default/modulefiles.

Name	Research Area/Discipline	Description
Anaconda Enterprise	Environment, Development	General environment manager and Python-centric data science platform
ANSYS CFD	Fluid dynamics	Enables modeling, simulation, and visualization of flow, turbulence, heat transfer and reactions for industrial applications
COMSOL	Multiphysics	Multiphysics simulation environment
Converge	Fluid dynamics	HPC CFD+, focused on engine modeling and simulation
FEniCS	Finite element libraries	Solving partial differential equations by the finite element method.
General Algebraic Modeling System (GAMS)	Analysis	High-level modeling system for mathematical programming and optimization
Gaussian	Chemistry and Materials Science	Program for calculating molecular electronic structure and reactivity
Gurobi Optimizer	Analysis	Solver for mathematical programming
LAMMPS	Chemistry and Materials Science	Open-source classical molecular dynamics program designed for massively parallel systems
MATLAB	Environment, Mathematics	General technical computing framework
Q-Chem	Chemistry and Materials Science	ab initio quantum chemistry package for predicting molecular structures, reactivities, and vibrational, electronic and NMR spectra
Quantum Espresso	Chemistry and Materials Science	Integrated suite of open source computer codes for electronic-structure calculations and materials modeling at the nanoscale
R	Development, Analysis	Standard framework for advanced statistical analysis and plotting
Singularity	Environment, Development	Linux Container solution to package software dependencies with executable code
STAR-CCM+	Fluid dynamics	Engineering simulation package from CD-adapco for solving problems involving flow of fluids or solids, heat transfer, and stress
VASP (Vienna Ab initio Simulation Package)	Chemistry and Materials Science	Atomic scale materials modeling, e.g., electronic structure calculations and quantum-mechanical molecular dynamics, from first principles
Xpress Optimization (FICO)	Analysis	Modeling and optimization suite for large-scale problems

Technical Assistance

Please contact us to request assistance with:

Installing software in your home directory
Upgrading versions and adding new software.