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
R 2.15.0
2.15.1
R is a software environment for statistical computing Flux Documentation
Vendor Website
Manual
abaqus 6.11
6.12
6.12-3
abaqus is set of general purpose nonlinear finite element analysis (FEA) tools Flux Documentation
Vendor Website
Manual
abinit 6.12.3-intel
7.0.3-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
acml 5.1.0-gcc
5.1.0-gcc_mp
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 8.8.3 ADINA System for the analysis of solids, structures, fluids and fluid flow with structural interactions. Vendor Website
ampl 12.2 AMPL is a comprehensive, powerful and flexible algebraic modeling language CAEN Documentation
Vendor Website
ansys 14.0
14.5
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 3.6.0.2515 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
boost 1.50.0-gcc
1.50.0-intel
Boost provides free peer-reviewed portable C++ source libraries. Vendor Website
Manual
cfour v1 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 14.0
14.5
ANSYS CFX is a high-performance, general purpose CFD program that has been applied to solve wide-ranging fluid flow problems. Vendor Website
chemkin 10112 CHEMKIN software enables the simulation of complex chemical reactions Vendor Website
Manual
cmake 2.8.8 CMake is a family of tools designed to build, test and package software. Vendor Website
Manual
comsol 3.5a
4.3
COMSOL Multiphysics is a modeling package for the simulation of any physical process you can describe with partial differential equations Flux Documentation
CAEN Documentation
Vendor Website
Manual
converge 2.0.0_020713
2.0.0_090612
Licensing: This software is licensed for academic, noncommercial use at the University of Michigan Vendor Website
cplex 12.4 CPLEX is a high-performance optimizer for linear programming Flux Documentation
CAEN Documentation
Vendor Website
Manual
cubit 13.2 loads the CUBIT Mesh Generation Kit Vendor Website
Manual
cuda 4.2 CUDA is the development environment for using nVidia's graphics cards for processing Flux Documentation
Vendor Website
Manual
dakota 5.2 Dakota -- A Multilevel Parallel Object-Oriented Framework for design optimi Vendor Website
Manual
ddt 3.2
4.0
Distributed Debugging Tool is a comprehensive graphical debugger designed for the complex task of debugging parallel code. Flux Documentation
Vendor Website
Manual
dytran 2012 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. Flux Documentation
CAEN Documentation
Vendor Website
Manual
espresso 5.0.1
5.0.2
Espresso: Electronic Structure Computation Software Flux Documentation
Vendor Website
Manual
fftw 3.3.2
3.3.2
3.3.2
FFTW is a C/Fortran subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions Vendor Website
Manual
flexlm 11.7.0.0 The Flexlm is a common floating license implimentation co Vendor Website
fluent 14.0
14.5
fluent - a comprehensive CFD (computational fluid dynamics) analysis tool. The FLUENT solver can be used to model turbulence, combustion, and multiphase applications. Flux Documentation
CAEN Documentation
Vendor Website
flux   Adds the Flux software repository to the modules system
freesurfer 5.2.0 Program to overlay fMRI data onto reconstructed cortical surfaces. Vendor website
fsl 5.0.2.2 FSL is a comprehensive library of analysis tools for FMRI, MRI and DTI brain imaging data. Vendor Website
g95 0.94 Users should use gfortran rather than G95. G95 is a stable, production Fortran 95 compiler available for multiple cpu architectures and operating systems. Innovations and optimizations continue to be worked on. Parts of the F2003 and F2008 standards have been implemented in g95 Vendor Website
gambit 2.4 gambit - GAMBIT is the preprocessor supplied with Fluents computational fluid dynamics (CFD) software. Vendor Website
gaussian 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. Flux Documentation
CAEN Documentation
Vendor Website
Manual
gcc 4.4.6
4.6.3
4.7.0
4.8.0
The GNU Compiler Collection includes front ends for C, C++, Objective-C, Fortran, Java, and Ada Vendor Website
Manual
git 1.8.1 Git is a distributed version control system designed to handle everything from small to very large projects with speed and efficiency. Vendor Website
Manual
globus 5.2.1 Globus provides the GSI/MyProxy in addition to GridFTP cli tools Vendor Website
gnuplot 4.2.6
4.6.0
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
gromacs 4.5.5 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. Flux 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 7.x GT-SUITE offers the only true virtual engine/powertrain tool, capable of integrated simulations of the total engine and powertrain system Vendor Website
h5py 2.1.0 fast, flexible storage of enormous amounts of data. Vendor Website
Manual
hadoop 1.1.0 Hadoop is an open source data processing framework. Vendor Website
Manual
hdf5 1.8.5-p1
1.8.5-p1
1.8.9
1.8.9
1.8.9
1.8.9
1.8.9
1.8.9
1.8.9
1.8.9
1.8.9
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 13.0
14.0
15.0
loads the hfss environment for Full-Wave Sprice extraction and electromagnetic field simulation Flux Documentation
Vendor Website
hive 0.9.0 Hive is a part of Hadoop, an open source data processing framework. Vendor Website
Manual
hpctoolkit 5.3.2 HPCToolkit is an integrated suite of tools for measurement and analysis of program performance on computers ranging from multicore desktop systems to the nation's largest supercomputers. By using statistical sampling of timers and hardware performance counters, HPCToolkit collects accurate measurements of a program's work, resource consumption, and inefficiency and attributes them to the full calling context in which they occur. Vendor Website
Manual
hwloc 1.5.1 The Portable Hardware Locality (hwloc) software package provides a portable abstraction (across OS, versions, architectures, ...) of the hierarchical topology of modern architectures, including NUMA memory nodes, sockets, shared caches, cores and simultaneous multithreading. It also gathers various system attributes such as cache and memory information as well as the locality of I/O devices such as network interfaces, InfiniBand HCAs or GPUs. Vendor Website
Manual
hypre 2.8.0b
2.8.0b
Hypre is a library for solving large, sparse linear systems of equations on massively parallel computers. Flux Documentation
Vendor Website
Manual
idl 8.2 IDL is software for data analysis, visualization, and cross-platform application development CAEN Documentation
Vendor Website
imsl fnl ERROR:102: Tcl command execution failed: set mkl_dir $::env(MKL_ROOT)
intel-comp 11.1
12.1
13.0
13.0.1
This loads both the Intel C and Fortran compilers Vendor Website
isr   Adds the ISR software repository to the modules system
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
lahey 6.2 loads the Fujitsu Lahey LF95 environment Vendor Website
lammps 4Jul12
8Oct12
A classical molecular dynamics code LAMMPS, which stands for Large-scale Atomic/Molecular Massively Parallel Simulator Flux Documentation
Vendor Website
Manual
lsa   Adds the LSA software repository to the modules system
lsdyna 971-R5.1.1
971-R610
LS-DYNA is a general purpose transient dynamic finite element program; we support a parallel version Vendor Website
Manual
maple 16 Maple is a mathematical computing engine Vendor Website
Manual
marc 2012 MARC is a non-linear FEA program Vendor Website
mathematica 7.0
8.0
9.0
Mathematica is a compuer algebra system Flux Documentation
CAEN Documentation
Vendor Website
Manual
matlab 2010b
2012a
2012b
2013a
Matlab is interactive package for numerical analysis, matrix computation, control system design, and linear system analysis and design Flux Documentation
CAEN Documentation
Vendor Website
Manual
matplotlib 1.1.1 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
maxwell 15.0.1 Loads the Ansys Maxwell environment for electromagnetic field simulation. Vendor website
mcnp5 1.6 loads the mcnp5 environment Vendor Website
mcnpx 2.7.0 loads the mcnpx environment Vendor Website
med   Adds the Medical School software repository to the modules system
mercurial 1.4
2.3
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 5.0.2
5.0.2
5.0.2
METIS - Serial Graph Partitioning and Fill-reducing Matrix Ordering Vendor Website
mkl 10.3.7
11.0
This loads the Intel Math Kernel Library (MKL) runtime. Flux Documentation
Vendor Website
Manual
moab   loads the Moab scheduling command environment Vendor Website
Manual
molpro 2010.1
2010.1-mrcc
Molpro is a complete system of ab initio programs for molecular electronic structure calculations Vendor Website
Manual
mpb 1.4.2 This program computes definite-frequency eigenstates (harmonic modes) of Maxwell's equations in periodic dielectric structures for arbitrary wavevectors, using fully-vectorial and three-dimensional methods. It is especially designed for the study of photonic crystals (a.k.a. photonic band-gap materials), but is also applicable to many other problems in optics, such as waveguides and resonator systems. (For example, it can solve for the modes of waveguides with arbitrary cross-sections.) Vendor Website
Manual
mpi4py mpi-1.6.0 MPI for Python (mpi4py) provides bindings of the Message Passing Interface (MPI) standard for the Python programming language, allowing any Python program to exploit multiple processors. Vendor Website
Manual
msmodel 5.5
6.0
Material Studio -- a software environment that brings the world's most advanced and validated materials simulation technology to the CAC Flux Documentation
CAEN Documentation
Vendor Website
nag 5.1
5.2
NAGWARE - f95/f90 fortran compiler Flux Documentation
CAEN Documentation
Vendor Website
Manual
nastran 2012 Nastran is a powerful general purpose finite element analysis solution for small to complex assemblies Flux Documentation
CAEN Documentation
Vendor Website
ncl 6.1.0-beta 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 4.2.0 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 4.2.0
4.2.0
4.2.0
4.2.0
4.2.0
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 1.6.2
1.6.2-3k
It contains a powerful N-dimensional array object, sophisticated (broadcasting) functions, tools for integrating C/C++ and Fortran code, useful linear algebra, Fourier transform, and random number capabilities Vendor Website
Manual
nwchem 6.1.1 NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters. Vendor Website
Manual
octopus 4.0.1 Octopus is a scientific program aimed at the ab initio virtual experimentation on a hopefully ever-increasing range of system types. Electrons are described quantum-mechanically within density-functional theory (DFT), in its time-dependent form (TDDFT) when doing simulations in time. Nuclei are described classically as point particles. Electron-nucleus interaction is described within the pseudopotential approximation. Vendor Website
Manual
openfoam 1.6-ext-07122012
1.7.x-07142011
2.1.x-06062012
2.2.x-03182013
OpenFOAM CFD Toolbox Vendor Website
Manual
openmpi 1.4.5
1.6.0
1.6.0
1.6.0
1.6.0
1.6.0
1.6.0
1.6.0
1.6.0
1.6.1
1.6.1
1.6.1
1.6.2
1.6.2
1.6.2
1.6.2
1.6.2
1.6.2
1.6.2
1.6.2
1.6.2
1.6.2
1.6.2
1.6.3
1.6.4
1.6.4
1.6.4
1.6.4
1.6.4
1.6.4
1.6.4
loads the OpenMPI/GCC compiler environment Vendor Website
Manual
parmetis 4.0.2
4.0.2
4.0.2
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
perfexpert 2.1.2 PerfExpert automatically analyzes the performance of programs and suggests optimizations to alleviate the identified bottlenecks. It is intended to make performance assessment easy while providing accurate diagnoses of core, chip, and node-level performance bottlenecks. Because of this focus, it suffices (and is recommended) to use scaled-down data sets and resource configurations to obtain accurate analyses. Vendor Website
Manual
petsc 3.3-p6
3.3.0-p2
3.3.0-p2
3.3.0-p2
3.3.0-p2
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. Flux Documentation
Vendor Website
Manual
pgi 10.5
12.3
12.9
loads the PGI compiler environment Flux Documentation
Vendor Website
Manual
povray 3.6.1 loads povray a high-quality raytracer for 3D Graphics Vendor Website
Manual
python 2.6.6
2.7.3
3.2.3
This is not the provided python compiler from RedHat. Scipy 0.10.1 and Numpy 1.6.2 are also loaded. Vendor Website
scipy 0.10.1
0.10.1-3k
Scipy is open-source software for mathematics, science, and engineering. Vendor Website
Manual
sph   Adds the SPH software repository to the modules system
sqoop 1.4.3 Sqoop is a part of Hadoop, an open source data processing framework. Vendor Website
Manual
starccm 7.02
7.04
7.06
Star-ccm+ is a CFD application that supports parallel processing Vendor Website
subversion 1.6.11 loads the subversion source code managment system Vendor Website
Manual
synopsys 2009.06-SP2
2012.06
Synopsys Synthesis environment Vendor Website
tct 5.2.1 Teragrid/Xsede Client Toolkit for connecting with your Teragrid/Xsede portal password to Xsede/Teragrid resources using gsissh myproxy-login and globus-url-copy. Flux Documentation
Vendor Website
tecplot 2012 Includes Tecplot 360 & Tecplot Focus CAEN Documentation
Vendor Website
torque   Loads the Torque batch computing environment Flux Documentation
Vendor Website
Manual
vasp 4.6.36Feb09
5.2.12.11Nov2011
5.3.2.13Sep2012
5.3.3.18Dec2012
VASP is a licensed package for performing ab-initio quantum-mechanical molecular dynamics (MD) Flux Documentation
Vendor Website
Manual
visit 2.5.1
2.6.2
loads the Visit serial and parallel engine for visualization of large data Flux 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
wannier90 1.2 Maximally-localised Wannier functions (MLWFs) and Wannier90, the computer program that calculates them. Both wannier90.x (the program) and libwannier.a (the library) are built and available. Vendor Website
Manual
wrf 3.4.1 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
xsede 5.2.1 Xsede Client Toolkit for connecting with your Xsede portal password to Xsede resources using gsissh myproxy-login and globus-url-copy. Flux Documentation
Vendor Website
Automatically generated list of 104 packages at Tue May 21 04:00:43 2013.