CAC Software

The following list of software is available on the Flux cluster. To access any of these packages, use the module load modulename command; for more information on the module command see our module documentation page.

Many of these packages have multiple versions, to see available versions, type module avail.

Users are not limited to the lists here. If you need a different package contact the CAC you can also install anything in your own directory.

Module Name Versions Description Additional Information
7zip 9.20.1 7zip - a popular Windows compression tool - do not use this for archives because ownership information is not preserved. Vendor Website
R 2.10.1
2.12.1
2.14.1
2.15.0
2.9.1
R is a software environment for statistical computing CAC Documentation
Vendor Website
Manual
abaqus 6.10
6.11
6.7
6.8
6.9
6.9EF2
abaqus is set of general purpose nonlinear finite element analysis (FEA) tools CAC Documentation
Vendor Website
Manual
abinit 5.8.4-intel
6.10.3-intel
ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave basis. Vendor Website
Manual
aces2 2005 ACES II (= Advanced Concepts in Electronic Structure) is a series of programs for performing high-level quantum chemical ab initio calculations. Its major strength is the accurate calculation of atomic and molecular energies as well as properties using "many-body" techniques such as many-body perturbation theory (MBPT) and, in particular coupled-cluster techniques to treat electron correlation. Vendor Website
Manual
acml 4.0.1-gcc
4.0.1-gcc-mp
4.1.1-pgi
4.2.0-pgi-i8
ACML is the AMD Core Math Library, which contains functions from BLAS and LAPACK, among other things, optimized for the AMD CPUs Vendor Website
Manual
adina 8.5.2
8.6
8.6-dmp
8.6.5
8.7
ADINA System for the analysis of solids, structures, fluids and fluid flow with structural interactions. Vendor Website
amber 11.0
8.0
Amber a set of molecular mechanical force fields for the simulation of biomolecules CAC Documentation
Vendor Website
ampl 12.2
2008
AMPL is a comprehensive, powerful and flexible algebraic modeling language CAEN Documentation
Vendor Website
ansys 11.0
12.0
14.0
ANSYS, produced by ANSYS, Inc., is a finite element simulation tool that incorporates multiphysics to simulate real world conditions. This allows users to analyze parts for behavior under multiple physical forces simultaneously CAEN Documentation
Vendor Website
ase 3.5.0
3.5.1
3.5.2.2472
The Atomic Simulation Environment (ASE) is the common part of the simulation tools developed at CAMd. ASE provides Python modules for manipulating atoms, analyzing simulations, visualization etc. Vendor Website
Manual
autodock 4.0.1 AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. Vendor Website
blat 34 Blat is a tool which performs rapid mRNA/DNA and cross-species protein alignments. Vendor Website
boost 1.39.0
1.44.0
1.45.0
1.48.0-intel
Boost provides free peer-reviewed portable C++ source libraries. Vendor Website
Manual
cfour beta
rc1
rc1-serial
CFOUR (Coupled-Cluster techniques for Computational Chemistry) is a program package for performing high-level quantum mechanical calculations on atoms and molecules. Vendor Website
Manual
cfx 12.0
14.0
ANSYS CFX is a high-performance, general purpose CFD program that has been applied to solve wide-ranging fluid flow problems. Vendor Website
charmm c32b2
c35b2
CHARMM (Chemistry at HARvard Macromolecular Mechanics) is a program for macromolecular simulations, including energy minimization, molecular dynamics and Monte Carlo simulations. You must possess a license to use this software. CAC Documentation
Vendor Website
Manual
chemkin 4.1 CHEMKIN software enables the simulation of complex chemical reactions Vendor Website
Manual
cmake 2.6.4
2.8.2
CMake is a family of tools designed to build, test and package software. Vendor Website
Manual
comsol 3.4
3.5a
4.1
4.2
COMSOL Multiphysics is a modeling package for the simulation of any physical process you can describe with partial differential equations CAC Documentation
CAEN Documentation
Vendor Website
Manual
cplex 11.0
12.1
12.2
CPLEX is a high-performance optimizer for linear programming CAC Documentation
CAEN Documentation
Vendor Website
Manual
cubit 10.2
11.1
12.0
13.1
loads the CUBIT Mesh Generation Kit Vendor Website
Manual
cuda 2.2
3.0
3.2
4.0
4.1
CUDA is the development environment for using nVidia's graphics cards for processing CAC Documentation
Vendor Website
Manual
dakota 5.2 Dakota -- A Multilevel Parallel Object-Oriented Framework for design optimi Vendor Website
Manual
ddt 2.4.1
2.5.1
2.6
3.0
3.1
Distributed Debugging Tool is a comprehensive graphical debugger designed for the complex task of debugging parallel code. CAC Documentation
Vendor Website
Manual
designer 5.0.1 loads the Ansoft Designer environment for Full-Wave Sprice extraction and electromagnetic field simulation Vendor Website
dl_poly 3.10 DL_POLY is a general purpose serial and parallel molecular dynamics simulation package developed at Daresbury Laboratory by W. Smith, T.R. Forester and I.T. Todorov. Vendor Website
Manual
dytran 2010 Dytran is an explicit finite element analysis (FEA) solution for analyzing complex nonlinear behavior involving permanent deformation of material properties, or the interaction of fluids and structures. CAC Documentation
CAEN Documentation
Vendor Website
Manual
espresso 4.1-pgi
4.3.2-intel
Espresso: Electronic Structure Computation Software CAC Documentation
Vendor Website
Manual
fftw 2.1.5-gcc
2.1.5-intel
2.1.5-pgi
3.2.1-gcc
3.2.1-intel
3.2.1-pgi
FFTW is a C/Fortran subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions Vendor Website
Manual
flomerics 72 FLOTHERM is a powerful 3D computational fluid dynamics software that predicts airflow and heat transfer in and around electronic equipment, including the coupled effects of conduction, convection and radiation. Vendor Website
fluent 12.0
13.0
14.0
fluent - a comprehensive CFD (computational fluid dynamics) analysis tool. The FLUENT solver can be used to model turbulence, combustion, and multiphase applications. CAC Documentation
CAEN Documentation
Vendor Website
gambit 2.4 gambit - GAMBIT is the preprocessor supplied with Fluents computational fluid dynamics (CFD) software. Vendor Website
gamess 05032012 The General Atomic and Molecular Electronic Structure System (GAMESS) Vendor Website
Manual
gasp 5.0.2 GASP - Solves steady and unsteady 3-D, Reynolds-Averaged, Navier-Stokes Equations (RANS) and Vendor Website
Manual
gaussian 03-32bit
03-64bit
03-64bit-linda
09-64bit
09-revc
Gaussian is an electronic structure program that predicts the energies, molecular structures, and vibrational frequencies of molecular systems, along with numerous molecular properties derived from these basic computation types. CAC Documentation
CAEN Documentation
Vendor Website
Manual
gcc 4.4.5
4.6.0
4.6.2
The GNU Compiler Collection includes front ends for C, C++, Objective-C, Fortran, Java, and Ada Vendor Website
Manual
gdal 1.8.1 GDAL is a translator library for raster geospatial data formats that is released under an X/MIT style Open Source license by the Open Source Geospatial Foundation. As a library, it presents a single abstract data model to the calling application for all supported formats. It also comes with a variety of useful commandline utilities for data translation and processing. Vendor Website
git 1.7.0.5 Git is a free & open source, distributed version control system designed to handle everything from small to very large projects with speed and efficiency. Vendor Website
Manual
glpk 4.44 The GLPK (GNU Linear Programming Kit) package is intended for solving large-scale linear programming (LP), mixed integer programming (MIP), and other related problems. It is a set of routines written in ANSI C and organized in the form of a callable library. Vendor Website
gnuplot 4.4.3 Gnuplot is a portable command-line driven graphing utility for linux. Gnuplot supports many types of plots in either 2D and 3D. It can draw using lines, points, boxes, contours, vector fields, surfaces, and various associated text. It also supports various specialized plot types. Vendor Website
Manual
gpaw 0.7.2 GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method. It uses real-space uniform grids and multigrid methods or atom-centered basis-functions. Vendor Website
Manual
grads 2.0.a7.1 The Grid Analysis and Display System (GrADS) is an interactive desktop tool that is used for easy access, manipulation, and visualization of earth science data. Vendor Website
Manual
gromacs 3.3.1-gcc
4.0.2-gcc
4.0.5-gcc
4.5.4-gcc
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. CAC Documentation
Vendor Website
Manual
gsl 1.14
1.15
The library provides a wide range of mathematical routines such as random number generators, special functions and least-squares fitting. There are over 1000 functions in total with an extensive test suite Vendor Website
Manual
gti 6.2
7.0
GT-SUITE offers the only true virtual engine/powertrain tool, capable of integrated simulations of the total engine and powertrain system Vendor Website
hdf5 1.6.9-gcc
1.6.9-pgi
1.8.3-gcc
1.8.3-intel
1.8.3-pgi
1.8.3-pgi-par
1.8.4
1.8.5-p1
1.8.5-p1
1.8.8-intel
1.8.8-intel-par
HDF5 is a set of file formats and libraries designed to store and organize large amounts of numerical data. Vendor Website
Manual
helios 1.10 loads the HELIOS Generalized Geometry Lattice Analysis package Vendor Website
hfss 10.1
11.1
12.0
13.0
loads the hfss environment for Full-Wave Sprice extraction and electromagnetic field simulation CAC Documentation
Vendor Website
hspice 2006.09-sp1 HSPICE is used for circuit simulation Vendor Website
hypre 2.6.0b
2.8.0b
Hypre is a library for solving large, sparse linear systems of equations on massively parallel computers. CAC Documentation
Vendor Website
Manual
idl 7.0 IDL is software for data analysis, visualization, and cross-platform application development CAEN Documentation
Vendor Website
imsl fnl
fnl
fnl
ERROR:102: Tcl command execution failed: set mkl_dir $::env(MKL_ROOT)
intel-comp 10.0
11.0
11.1.038
12.0
9.1
c-10.0.025
c-11.0.074
c-9.1.043
fortran-10.0.025
fortran-11.0.074
fortran-9.1.037
This loads both the Intel C and Fortran compilers Vendor Website
java 1.6.0 Java is a general-purpose, concurrent, class-based, object-oriented language that is specifically designed to have as few implementation dependencies as possible. Vendor Website
lammps 11Apr11
14Feb12
1Jul09
22Dec09
29Jul11
9Aug10
A classical molecular dynamics code LAMMPS, which stands for Large-scale Atomic/Molecular Massively Parallel Simulator CAC Documentation
Vendor Website
Manual
libdai 0.2.7 provides implementations of various (approximate) inference methods for discrete graphical models. libDAI supports arbitrary factor graphs with discrete variables; this includes discrete Markov Random Fields and Bayesian Networks. Vendor Website
Manual
libsvm 3.0-mat LIBSVM is an integrated software for support vector classification, (C-SVC, nu-SVC), regression (epsilon-SVR, nu-SVR) and distribution estimation (one-class SVM). It supports multi-class classification. Vendor Website
lsa   Adds the LSA software repository to the modules system
lsdyna 971-R421
971-R510
LS-DYNA is a general purpose transient dynamic finite element program; we support a parallel version Vendor Website
Manual
maple 12
13
Maple is a mathematical computing engine CAC Documentation
Vendor Website
Manual
marc 2007r1
2008r1
MARC is a non-linear FEA program CAEN Documentation
Vendor Website
mathematica 6.0
7.0
8.0
Mathematica is a compuer algebra system CAC Documentation
CAEN Documentation
Vendor Website
Manual
matlab 2009a
2009b
2010b
2011b
Matlab is interactive package for numerical analysis, matrix computation, control system design, and linear system analysis and design CAC Documentation
CAEN Documentation
Vendor Website
Manual
matplotlib 0.99.1
1.0.1
matplotlib is a python 2D plotting library which produces publication quality figures in a variety of hardcopy formats and interactive environments across platforms Vendor Website
Manual
mcnp5 1.4
1.51
loads the mcnp5 environment Vendor Website
mcnpx 2.6.0 loads the mcnpx environment Vendor Website
med   Adds the Medical School software repository to the modules system
mercurial 1.9 Mercurial is a free, distributed source control management tool. It offers you the power to efficiently handle projects of any size while using an intuitive interface. It is easy to use and hard to break, making it ideal for anyone working with versioned files. Vendor Website
Manual
metis 4.0.1-pgi
4.0.3-intel-11.0
METIS - Serial Graph Partitioning and Fill-reducing Matrix Ordering Vendor Website
mkl 10.1
10.2.2
10.3.0
This loads the Intel Math Kernel Library (MKL) runtime. CAC Documentation
Vendor Website
Manual
moab   loads the Moab scheduling command environment Vendor Website
Manual
modules   loads the modules environment
molpro 2008.1-intel Molpro is a complete system of ab initio programs for molecular electronic structure calculations Vendor Website
Manual
mpfr 3.0.0 The MPFR library is a C library for multiple-precision floating-point computations with correct rounding. Vendor Website
Manual
mpiexec 0.83
04292011
Mpiexec is a replacement program for the script mpirun, which is part of the mpich package. Vendor Website
msmodel 4.4
5.0
5.5
6.0
Material Studio -- a software environment that brings the world's most advanced and validated materials simulation technology to the CAC CAC Documentation
CAEN Documentation
Vendor Website
nag 5.1
5.2
NAGWARE - f95/f90 fortran compiler CAC Documentation
CAEN Documentation
Vendor Website
Manual
naglib 7.0-gcc
7.0-pgi
7.0-pgi-mp
clib
f90
flib
flib
flib
NAG has over 1,450 tried and tested routines that are both flexible and portable Vendor Website
Manual
namd 2.7b1
2.8b1
NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. Vendor Website
Manual
nastran r3 Nastran is a powerful general purpose finite element analysis solution for small to complex assemblies CAC Documentation
CAEN Documentation
Vendor Website
ncbi 200908 Provides Blast. The program compares nucleotide or protein sequences to sequence databases and calculates the statistical significance of matches. BLAST can be used to infer functional and evolutionary relationships between sequences as well as help identify members of gene families. Vendor Website
ncl 6.0.0 NCL is an interpreted language designed specifically for scientific data analysis and visualization. Supports netCDF3 and 4, GRIP1 and 2 HDF-SDS, HDF4-EOS, binary, shapefiles, and ascii files. Vendor Website
Manual
nco 3.9.9 The netCDF Operators, or NCO, are a suite of programs known as operators. Each operator is a standalone, command line program which is executed at the UNIX shell-level like, e.g., ls or mkdir. The operators take netCDF files as input, then perform a set of operations (e.g., deriving new data, averaging, hyperslabbing, or metadata manipulation) and produce a netCDF file as output. Vendor Website
Manual
netcdf 4.0
4.0-gcc
4.0-intel
4.0-pgi
4.1.1
4.1.3-intel
NetCDF (network Common Data Form) is a set of software libraries and machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data Vendor Website
Manual
numpy 0.7.0
1.4.1
1.6.1
1.6.1-py3
Numpy is provided by the scipy module, please run `module load scipy` Vendor Website
Manual
ocean 6.1-32bit
6.1-64bit
loads the Open Command Environment OCEAN part of Cadence IC Vendor Website
octave 2.1.57 GNU Octave is a high-level language, primarily intended for numerical computations. Vendor Website
Manual
oommf 1.2a3 oommf is set of programs and tools for micromagnetics Vendor Website
Manual
openbabel 2.3.0 Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Vendor Website
Manual
openfoam 1.5
1.5.x-08122009
1.6-ext-r1875
1.7.x-11232010
2.0.x-07122011
2.1.x-01312012
OpenFOAM CFD Toolbox Vendor Website
Manual
openmpi 1.2.6-intel
1.3.2-gcc
1.3.2-intel
1.3.2-nag
1.3.2-pgi
1.3.2-pgi62
1.4.1-intel
1.4.2
1.4.2
1.4.2-gcc
1.4.2-intel
1.4.2-pgi
1.4.3
1.4.3
1.4.3
1.4.3
1.4.3
1.4.3
1.4.4
1.4.4
1.4.5
loads the OpenMPI/GCC compiler environment Vendor Website
Manual
opt 1.4.3 Allinea OPT, the Optimization and Profiling Tool, is a companion product to DDT, and is a revolution in code optimization for parallel computing. This GRID enabled product allows secure and easy profiling with innovative and intuitive features. CAC Documentation
Vendor Website
optistruct 10.0
9.0
Optistruct finite element based software program for both structural analysis and design optimisation. OptiStruct is used to design, evaluate and improve performance of mechanical structures. CAC Documentation
CAEN Documentation
Vendor Website
padb 3.3 Padb is a Job Inspection Tool for examining and debugging parallel programs, primarily it simplifies the process of gathering stack traces on compute clusters however it also supports a wide range of other functions. Vendor Website
paraview 3.12.0 ParaView is an open-source, multi-platform data analysis and visualization application. ParaView users can quickly build visualizations to analyze their data using qualitative and quantitative techniques. The data exploration can be done interactively in 3D or programmatically using ParaView's batch processing capabilities. Vendor Website
Manual
parmetis 3.1.1-gcc
3.1.1-intel
3.1.1-pgi
ParMETIS is an MPI-based parallel library that implements a variety of algorithms for partitioning unstructured graphs, meshes, and for computing fill-reducing orderings of sparse matrices. ParMETIS extends the functionality provided by METIS and includes routines that are especially suited for parallel AMR computations and large scale numerical simulations. Vendor Website
perl-lib 1.0 Collection of non RedHat provided Perl Libraries
petsc 3.0.0-p7-intel-debug
3.0.0-p7-intel-opt
3.0.0-p7-pgi-debug
3.0.0-p7-pgi-opt
3.2.0-p6
3.2.0-p6
PETSc is a suite of data structures and routines for the scalable (parallel) solution of scientific applications modeled by partial differential equations. It employs the MPI standard for parallelism. Vendor Website
Manual
pgi 10.5
11.6
11.7
12.1
12.2
6.2
7.2
8.0
9.0
loads the PGI compiler environment CAC Documentation
Vendor Website
Manual
polimi 1.2.5
1.3.2
1.3.6-mcnpx
loads the polimi environment Vendor Website
povray 3.6 loads povray a high-quality raytracer for 3D Graphics Vendor Website
Manual
pyfits 3.0.3 PyFITS provides an interface to FITS formatted files in the Python scripting language and PyRAF, the Python-based interface to IRAF. It is useful both for interactive data analysis and for writing analysis scripts in Python using FITS files as either input or output. PyFITS is a development project of the Science Software Branch at the Space Telescope Science Institute. Vendor Website
Manual
python 2.6.4
3.2.1
This is not the provided python compiler from RedHat. Scipy 0.7.2 and Numpy 1.4.1 are also loaded. Vendor Website
rrd 1.4.3 RRDtool is the OpenSource industry standard, high performance data logging and graphing system for time series data. Vendor Website
Manual
scipy 0.7.0
0.7.2
0.9.0
0.9.0-py3
Scipy is open-source software for mathematics, science, and engineering. Vendor Website
Manual
sentaurus 2007.03 Loads the Synopsys TCAD programs Vendor Website
silo 4.7.2
4.7.2
A mesh and field I/O library and scientific database Vendor Website
Manual
slepc 3.0.0-p7-intel-11.0 SLEPc, the Scalable Library for Eigenvalue Problem Computations. SLEPc is a software library for the solution of large scale sparse eigenvalue problems on parallel computers. It is an extension of PETSc and can be used for either standard or generalized eigenproblems, with real or complex arithmetic. It can also be used for computing a partial SVD of a large, sparse, rectangular matrix, and to solve quadratic eigenvalue problems. Vendor Website
Manual
snow 0.3-3 snow is a software environment for statistical computing CAC Documentation
Vendor Website
Manual
starccm 4.04
4.06
5.02
5.04
6.02
6.04
6.06
Star-ccm+ is a CFD application that supports parallel processing Vendor Website
stata 11 Stata is a complete, integrated statistical package that provides everything you need for data analysis, data management, and graphics. CAC Documentation
Vendor Website
Manual
subversion 1.6.3 loads the subversion source code managment system Vendor Website
Manual
synopsys 2009.06-SP2 Synopsys Synthesis environment Vendor Website
tau 2.19.2 TAU is a portable profiling and tracing toolkit for performance analysis of parallel programs written in Fortran, C, C++, Java, Python. Vendor Website
tct 0.4.0 Teragrid/Xsede Client Toolkit for connecting with your Teragrid/Xsede portal password to Xsede/Teragrid resources using gsissh myproxy-login and globus-url-copy. CAC Documentation
Vendor Website
tecplot 2011 Plotting and visualization software that gives full control over 2- and 3-D plot parameters. Includes Tecplot 360 & Tecplot Focus CAEN Documentation
Vendor Website
tgrid 5.0.6 TGrid is a specialized preprocessor used to create unstructured tetrahedral and HexCore meshes for complex and very large surface meshes. Vendor Website
torque   loads the Torque batch computing environment CAC Documentation
Vendor Website
Manual
towhee 6.2.7 Towhee is a Monte Carlo molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based force fields and the Gibbs ensemble Vendor Website
Manual
trilinos 10.6.2
10.6.2
The Trilinos Project is an effort to develop algorithms and enabling technologies within an object-oriented software framework for the solution of large-scale, complex multi-physics engineering and scientific problems. Vendor Website
Manual
umfpack 5.5.1-intel-11.0 UMFPACK is a set of routines for solving unsymmetric sparse linear systems, Ax=b, using the Unsymmetric MultiFrontal method. Vendor Website
upp 1.0 The NCEP Unified Post Processor has replaced the WRF Post Processor (WPP). The UPP software package is based on WPP but has enhanced capabilities to post-process output from a variety of NWP models, including WRF-NMM, WRF-ARW, Non-hydrostatic Multi-scale Model on the B grid (NMMB), Global Forecast System (GFS), and Climate Forecast System (CFS). Vendor Website
Manual
vasp 4.6.36
5.2.11
5.2.12
5.2.12.11Nov2011
5.2.2
VASP is a licensed package for performing ab-initio quantum-mechanical molecular dynamics (MD) CAC Documentation
Vendor Website
Manual
vcs 2006.06 loads the VCS simulation environment Vendor Website
verilog 5.8 loads the Verilog part of Cadence IC Vendor Website
visit 1.11.2
2.0.2
2.2.1
2.4.0
loads the Visit serial and parallel engine for visualization of large data CAC Documentation
Vendor Website
Manual
vmd 1.9 VMD is a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting. Vendor Website
Manual
wrf 3.2.1
3.3
The Weather Research and Forecasting (WRF) Model is a next-generation mesoscale numerical weather prediction system designed to serve both operational forecasting and atmospheric research needs. It features multiple dynamical cores, a 3-dimensional variational (3DVAR) data assimilation system, and a software architecture allowing for computational parallelism and system extensibility. Vendor Website
Manual
xpressmp 2007a Xpress-MP is a suite of mathematical modeling and optimization tools used to solve linear, integer, quadratic, non-linear, and stochastic programming problems. Vendor Website
Automatically generated list of 130 packages at Wed May 16 04:02:44 2012.