Software Applications on the Peregrine System
Software applications are available for use on NREL's HPC systems. 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
Use this table to browse, sort, or search for applications by name, research area/discipline, and system.
In addition to the listed packages, the Peregrine 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, Python 
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. 

CAE/structural mechanics 
Multiphysics simulation environment 

Converge 
Fluid dynamics 
HPC CFD+, focused on engine modeling and simulation 
Visualization and analytics 
A remote visualization tool for OpenGLbased applications. 

Statistics and analysis 
Highlevel modeling system for mathematical programming and optimization. 

Chemistry 
Program for calculating molecular electronic structure and reactivity. 

Statistics and analysis 
Solver for mathematical programming 

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

Mathematica 
Mathematics 
General technical computing framework 
Mathematics 
General technical computing framework 

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

Quantum Espresso 
Materials Science 
Integrated suite of open source computer codes for electronicstructure calculations and materials modeling at the nanoscale 
Statistics and analysis 
Language and environment for statistical computing and graphics. 

Fluid dynamics 
Engineering simulation package from CDadapco for solving problems involving flow of fluids or solids, heat transfer, and stress. 

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

FICO Xpress Optimization 
Statistics/analysis 
Modeling and optimization suite for largescale problems 
How Applications Are Made Available
Learn how we install and build application software on Peregrine.
Learn HowTechnical Assistance
Please contact us to request assistance with:
 Installing software in your home directory
 Upgrading versions and adding new software