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 nonHPC systems may be acquired through BOA.
Applications List
In addition to the listed packages, the Eagle user community supports software via "ECom." To access, modify your modules search path to include /nopt/nrel/ecom/modules/default/modulefiles.
Name 
Research Area/Discipline 
Description 

Anaconda Enterprise 
Environment, 
General environment manager and Pythoncentric data science platform 
Fluid dynamics 
Enables modeling, simulation, and visualization of flow, turbulence, heat transfer and reactions for industrial applications 

Multiphysics 
Multiphysics simulation environment 

Converge 
Fluid dynamics 
HPC CFD+, focused on engine modeling and simulation 
Finite element libraries  Solving partial differential equations by the finite element method.  
Analysis 
Highlevel modeling system for mathematical programming and optimization 

Chemistry and 
Program for calculating molecular electronic structure and reactivity 

Analysis 
Solver for mathematical programming 

Chemistry and Materials Science 
Opensource classical molecular dynamics program designed for massively parallel systems 

Mathematica 
Environment, 
General technical computing framework 
Molecular dynamics  Parallel molecular dynamics code designed for highperformance simulation of large biomolecular systems.  
Environment, 
General technical computing framework 

Chemistry and 
ab initio quantum chemistry package for predicting molecular structures, reactivities, and vibrational, electronic and NMR spectra 

Quantum Espresso 
Chemistry and 
Integrated suite of open source computer codes for electronicstructure calculations and materials modeling at the nanoscale 
R  Development, Analysis  Standard framework for advanced statistical analysis and plotting 
Singularity 
Environment, 
Linux Container solution to package software dependencies with executable code 
Fluid dynamics 
Engineering simulation package from CDadapco for solving problems involving flow of fluids or solids, heat transfer, and stress 

Chemistry and 
Atomic scale materials modeling, e.g., electronic structure calculations and quantummechanical molecular dynamics, from first principles 

Xpress Optimization (FICO) 
Analysis 
Modeling and optimization suite for largescale problems 
Technical Assistance
Please contact us to request assistance with:
 Installing software in your home directory
 Upgrading versions and adding new software.