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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 non-HPC 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 "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, Python

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

CAE/structural mechanics

Multiphysics simulation environment

Converge

Fluid dynamics

HPC CFD+, focused on engine modeling and simulation

FastX

Visualization and analytics

A remote visualization tool for OpenGL-based applications.

General Algebraic Modeling System (GAMS)

Statistics and analysis

High-level modeling system for mathematical programming and optimization.

Gaussian

Chemistry

Program for calculating molecular electronic structure and reactivity.

Gurobi Optimizer

Statistics and analysis

Solver for mathematical programming

LAMMPS

Chemistry and Materials Science

Open-source classical molecular dynamics program designed for massively parallel systems.

Mathematica

Mathematics

General technical computing framework

MATLAB

Mathematics

General technical computing framework

Q-Chem

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 electronic-structure calculations and materials modeling at the nanoscale

R Statistical Computing Environment

Statistics and analysis

Language and environment for statistical computing and graphics.

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)

Materials science

Atomic scale materials modeling, e.g., electronic structure calculations and quantum-mechanical molecular dynamics, from first principles.

FICO Xpress Optimization

Statistics/analysis

Modeling and optimization suite for large-scale problems

How Applications Are Made Available

Learn how we install and build application software on Peregrine.

Learn How

Technical Assistance

Please contact us to request assistance with:

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