titan

Up since 11/8/17 02:45 pm

eos

Up since 11/14/17 11:20 pm

rhea

Up since 10/17/17 05:40 pm

hpss

Up since 11/20/17 09:15 am

atlas1

Up since 11/15/17 07:25 am

atlas2

Up since 11/27/17 10:45 am
OLCF User Assistance Center

Can't find the information you need below? Need advice from a real person? We're here to help.

OLCF support consultants are available to respond to your emails and phone calls from 9:00 a.m. to 5:00 p.m. EST, Monday through Friday, exclusive of holidays. Emails received outside of regular support hours will be addressed the next business day.

Scientific Applications

Programs to solve real-world problems within a specific field of science or engineering.
cdo
Climate Data Operators (CDO) is a large toolset for working on climate and NWP model data.
globus
The Globus Toolkit is an open source software toolkit used for building grids and is developed by the Globus Alliance and many others all over the world.
gromacs
GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.
lammps
LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator.
matlab
MATLAB is a high-performance language for technical computing. It integrates computation, visualization, and programming in an easy-to-use environment where problems and solutions are expressed in familiar mathematical notation.
namd
NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems.
ncl
NCL is a free interpreted language designed specifically for scientific data processing and visualization.
NWChem
Description Compiling Usage Versions Description Description Website: http://www.nwchem-sw.org/index.php/Main_Page According to the NWChem website: “NWChem aims to provide its users with computational chemistry tools that are scalable both in ...
octave
GNU Octave is a high-level interpreted language, primarily intended for numerical computations.
Porting Fortran code to GPUs with OpenACC
This page contains a video and slides that walk you through OLCF users Mike Zingale's and Adam Jacobs's experience with porting Fortran code to GPUs with OpenACC. The talk was given at the September 2015 OLCF User Group Conference Call.
r
R is a free software environment for data analytics and graphics (see r-project.org). Distributed parallel capability by r-pbd.org.
vasp
The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles.
vasp5
The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles.