Installed Software

Software on the LCRC computers includes the vendor-supplied operating systems and programming environments as well as third-party products installed by the LCRC Support Team. Most of packages will have man and info pages are available online. Other documentation such as vendor user guides and Fusion usage instructions may be found by clicking on the application's name in the application list.

The LCRC Support Team installs, maintains, and supports a number of third-party software applications. Most can be used free-of-charge by all LCRC users. Some applications are restricted to only Argonne National Laboratory (ANL) users. Restricted applications are marked as such and an explanation of the restriction may be found by selecting the application's name.

Examples of third-party software are compilation systems such the Intel and Portland Group compilers, applications such as Gaussian 98, and tools and utilities such as PBS and QBank.

Requests for additional software applications may be made by sending mail with the name of the software and any known details to support@lcrc.anl.gov.

Type: Biology
Version Status Summary
HMMER
  • 3.0rc1
  • Installed and Supported
HMMER is used for searching sequence databases for homologs of protein sequences, and for making protein sequence alignments. It implements methods using...
MPI Blast
  • 1.5.0
  • Installed and Supported
mpiBLAST is a freely available, open-source, parallel implementation of NCBI BLAST. By efficiently utilizing distributed computational resources through...
NCBI Blast
  • 2.2.22
  • Installed and Supported
The Basic Local Alignment Search Tool (BLAST) finds regions of local similarity between sequences. The program compares nucleotide or protein sequences to...
Type: Computational Fluid Dynamics
Version Status Summary
StarCCM
  • 7.02
  • 6.06.011 (Default)
  • 6.04.014
  • 6.02.007
  • 5.04.008
  • 5.02.009
  • 4.06.011
  • Installed and Supported
  • Licenced, restricted use; see notes
STAR-CCM+ is a commercial computer-aided engineering package developed by CD-adapco. Originally developed for computational fluid dynamics (CFD) simulations.
STAR-CD
  • 4.16.010
  • 4.14.026
  • 4.12.016
  • 4.10.036 (Default)
  • Installed and Supported
  • Licenced, restricted use; see notes
STAR-CD is a Computational Fluid Dynamics code that uses proprietary numerical schemes for steady and transient simulations. It can accept almost any mesh...
OpenFoam
  • 1.7
  • 1.6
  • 1.5
  • Installed and Supported
OpenFOAM has an extensive range of features to solve anything from complex fluid flows involving chemical reactions, turbulence and heat transfer, to solid...
Converge
  • 1.3.1
  • Installed and Supported
  • Licenced, restricted use; see notes
CONVERGE™ is a revolutionary CFD code that eliminates the grid generation bottleneck from the simulation process.
Type: Chemistry Applications
Version Status Summary
VASP
  • 5.3.5
  • 5.3.3
  • 5.3.2
  • 5.2.12
  • 5.2.11
  • 4.6.36
  • 4.6.28
  • Installed and Supported
  • Licenced, restricted use; see notes
VASP is a package for performing ab-initio quantum-mechanical molecular dynamics (MD) using pseudopotentials and a plane wave basis set. The approach...
ANTLR
  • 2.7.7
  • Installed and Supported
ANTLR, ANother Tool for Language Recognition, (formerly PCCTS) is a language tool that provides a framework for constructing recognizers, compilers, and...
ASE
  • 3.5.1
  • 3.4.1
  • r2319
  • Installed and Supported
  • Use with caution; see notes
The Atomic Simulation Environment (ASE) is the common part of the simulation tools developed at CAMd. ASE provides Python modules for manipulating atoms,...
Crystal 09
  • 9.0
  • Installed and Supported
CRYSTAL is a general-purpose program for the study of crystalline solids, and the first which has been distributed publicly. The CRYSTAL program computes the...
Siesta
  • 3.1.0
  • 3
  • 2.0.2 (Default)
  • Installed and Supported
SIESTA is both a method and its computer program implementation, to perform efficient electronic structure calculations and ab initio molecular dynamics...
GPAW
  • r8427
  • 0.8.0.p1
  • 0.7.2
  • Installed and Supported
Using the projector-augmented wave (PAW) method allows us to get rid of the core electrons and work with soft pseudo valence wave functions. The pseudo wave...
Molpro
  • 2010.1
  • 2009.1
  • Installed and Supported
Molpro is a complete system of ab initio programs for molecular electronic structure calculations, designed and maintained by H.-J. Werner and P. J. Knowles,...
NAMD
  • 2.8
  • 2.7 (Default)
  • Installed and Supported
NAMD, recipient of a 2002 Gordon Bell Award, is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems....
Quantum Espresso
  • 4.3.2
  • Installed and Supported
Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density...
LAMMPS
  • 28Sep2010 (Default)
  • Installed and Supported
LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. LAMMPS has potentials for soft...
Jmol
  • 11.18.13 (Default)
  • Installed and Supported
Jmol is a free, open source molecule viewer for students, educators, and researchers in chemistry and biochemistry. It is cross-platform, running on Windows,...
CPMD
  • 3.15.1
  • 3.13.2_01
  • 3.17.1
  • Installed and Supported
  • Licenced, restricted use; see notes
Guassian
  • 9-a.02
  • 3-c.02
  • Installed and Supported
Gaussian 09 is the latest in the Gaussian series of programs. It provides state-of-the-art capabilities for electronic structure modeling. Gaussian 09 is...
Type: Climate
Version Status Summary
CDAT
  • 5.2
  • Installed and Supported
NCL
  • 6.0.0
  • Installed and Supported
NCL is an interpreted language designed specifically for scientific data analysis and visualization. NLC is portable, robust, and freely available as binaries...
Type: Compilers
Version Status Summary
GNU
  • 4.4.2
  • 4.3.4
  • 4.1.2 (Default)
  • Installed and Supported
Default version of the standard GNU compiler suite used on Fusion. Includes C, C++, F77 and Java compilers. GNU/GCC is open source, public domain software and...
Intel
  • 12.1.7
  • 12.1
  • 12.0.4
  • 12.0.1
  • 11.1 (Default)
  • 11.0
  • Installed and Supported
  • Licenced, restricted use; see notes
The Intel® compiler suites offer C, C++ and Fortran compilers with optimization features and multithreading capabilities, highly optimized performance...
PGI
  • 11.7
  • 9.0.4
  • 9.0
  • Installed and Supported
  • Licenced, restricted use; see notes
PGI compilers offer world-class performance and features including auto-parallelization for multicore, OpenMP directive-based parallelization, and support for...
G95
  • 0.92
  • Installed and Supported
G95 is a stable, production Fortran 95 compiler available for multiple cpu architectures and operating systems. Innovations and optimizations continue to be...
Type: Debuggers
Version Status Summary
Totalview
  • 8.9 (Default)
  • 8.7
  • Installed and Supported
  • Licenced, restricted use; see notes
TotalView is a GUI-based source code defect analysis tool that gives you unprecedented control over processes and thread execution and visibility into program...
Valgrind
  • 3.5.0
  • Installed and Supported
Valgrind is a memory management tool that checks for memory leaks. Valgrind is open source, public domain software and has no license restrictions.
TAU
  • 2.20.2
  • Installed and Supported
TAU Performance System® is a portable profiling and tracing toolkit for performance analysis of parallel programs written in Fortran, C, C++, Java, Python.
DDT
  • 2.6.0
  • 2.5.1
  • Installed and Supported
Allinea DDT is the most advanced debugging tool available for scalar, multi-threaded, and large-scale parallel applications.
Type: General Purpose Computing
Version Status Summary
Matlab
  • R2013a
  • 2010b
  • 2009b (Default)
  • 2007b
  • Installed and Supported
  • Licenced, restricted use; see notes
MATLAB is an integrated technical computing environment that combines numeric computation, advanced graphics and visualization, and a high-level programming...
FFTW
  • 3.2.1-intel-11.1.038
  • 3.2.1-intel-11.1.038-sp
  • Installed and Supported
FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions, of arbitrary input size, and of both real and...
PETSc
  • 3.0 GCC
  • 3.0 Intel
  • Installed and Supported
Java
  • 1.6
  • Installed and Supported
Autoconf
  • 2.68 (Default)
  • 2.63
  • Installed and Supported
Automake
  • 1.11.1 (Default)
  • Installed and Supported
CMake
  • 2.8
  • 2.6 (Default)
  • Installed and Supported
Python
  • 2.7.6
  • 2.6.
  • 2.6.4 w/Numpy, Scipy, Matplotlib, PyGTK, pyobject
  • 2.4
  • Installed and Supported
Python is a programming language that lets you work more quickly and integrate your systems more effectively. You can learn to use Python and see almost...
Scipy
  • scipy-python-2.4
  • Installed and Supported
SciPy (pronounced "Sigh Pie") is open-source software for mathematics, science, and engineering.
Numpy
  • numpy-python2.4
  • Installed and Supported
NumPy is the fundamental package for scientific computing with Python. Besides its obvious scientific uses, NumPy can also be used as an efficient multi-...
Docutils
  • 0.8 for python 2.4
  • Installed and Supported
Docutils is an open-source text processing system for processing plaintext documentation into useful formats, such as HTML, LaTeX, man-pages, open-document or...
QT
  • 4.6.2
  • 4.3.5 (Default)
  • Installed and Supported
The Qt SDK combines the Qt framework with tools designed to streamline the creation of applications for Symbian phones and the Nokia N9 smartphone. in addition...
Jasper
  • 1.900.1
  • Installed and Supported
JasPer Project is an open-source initiative to provide a free software-based reference implementation of the codec specified in the JPEG-2000 Part-1 standard.
GTK
  • gtk-2.18.9
  • Installed and Supported
GTK+, or the GIMP Toolkit, is a multi-platform toolkit for creating graphical user interfaces. Offering a complete set of widgets, GTK+ is suitable for...
GX Map
  • 0.5.3.3 (Default)
  • Installed and Supported
GA
  • 4.3.2
  • Installed and Supported
The Global Arrays (GA) toolkit provides an efficient and portable "shared-memory" programming interface for distributed-memory computers.
Udunits
  • 2.1.21
  • Installed and Supported
Type: High Energy Physics
Version Status Summary
CLHEP
  • 2.0.4.7
  • Installed and Supported
GEANT4
  • 9.2.p04
  • Installed and Supported
Geant4 is a toolkit for the simulation of the passage of particles through matter. Its areas of application include high energy, nuclear and accelerator...
Type: Libraries
Version Status Summary
NetCDF
  • 4.1.1
  • Installed and Supported
Platform independent data storage for storing array data, along with associated metadata. Freely available under the terms of the UCAR/Unidata license.
NCO
  • 4.0.7 (Default)
  • 3.9.5
  • Installed and Supported
Operators for manipulating NetCDF data. Freely available under the terms of the GPL. Useful for anyone using NetCDF data.
NCView
  • 1.93g (Default)
  • Installed and Supported
Ncview is a graphical viewer for NetCDF files. Freely available under the terms of the GPL.
HDF5
  • 1.8.6-parallel
  • 1.8.6-serial
  • 1.6.10-parallel (Default)
  • 1.6.10-serial (Default)
  • Installed and Supported
HDF5 is a data model, library, and file format for storing and managing data. It supports an unlimited variety of datatypes, and is designed for flexible and...
MKL
  • 10.3.7.256
  • 10.3.4.191
  • 10.2.2.025 (Default)
  • Installed and Supported
  • Licenced, restricted use; see notes
Intel® Math Kernel Library (Intel® MKL) is a computing math library of highly optimized, extensively threaded math routines for applications that require...
Type: Programming Libraries
Version Status Summary
MVAPICH2
  • 1.7
  • 1.6.0
  • 1.4.1 (Default)
  • 1.1
  • Installed and Supported
MVAPICH2 (MPI-2 over OpenFabrics-IB, OpenFabrics-iWARP, PSM, uDAPL and TCP/IP) is an MPI-2 implementation (conforming to MPI 2.2 standard) which includes all...
MPICH2
  • 1.4.1
  • 1.4
  • 1.3
  • 1.2.1
  • Installed and Supported
MPICH2 is a high-performance and widely portable implementation of the Message Passing Interface (MPI) standard (both MPI-1 and MPI-2).
OpenMPI
  • 1.4.3
  • Installed and Supported
The Open MPI Project is an open source MPI-2 implementation that is developed and maintained by a consortium of academic, research, and industry partners. Open...
Type: Nuclear Engineering
Version Status Summary
MCNPX
  • 2.7e
  • 2.7c
  • 2.7b (Default)
  • Installed and Supported
MCNPX is a general-purpose Monte Carlo radiation transport code for modeling the interaction of radiation with everything. MCNPX stands for Monte Carlo N-...
Type: Version Control
Version Status Summary
GIT
  • 1.6.5.4 (Default)
  • Installed and Supported
Git is a free & open source, distributed version control system designed to handle everything from small to very large projects with speed and efficiency.
Subversion
  • 1.5.7 (Default)
  • 1.6.12
  • Installed and Supported
Subversion exists to be universally recognized and adopted as an open-source, centralized version control system characterized by its reliability as a safe...
Mercurial
  • 1.9.1 (Default)
  • Installed and Supported
Mercurial is a free, distributed source control management tool. It efficiently handles projects of any size and offers an easy and intuitive interface.
Type: Visualization
Version Status Summary
VTK
  • 5.6.0
  • Installed and Supported
VTK is "an open source, freely available software system for 3D computer graphics, image processing, and visualization used by thousands of researchers...
VisIt
  • 2.1.1 (Default)
  • Installed and Supported
VisIt is a free interactive parallel visualization and graphical analysis tool for viewing scientific data on Unix and PC platforms.
ImageMagick
  • 6.5
  • Installed and Supported
ImageMagick® is a software suite to create, edit, compose, or convert bitmap images. It can read and write images in a over 100 formats.