From Documentation
Jump to: navigation, search
Note: Some of the information on this page is for our legacy systems only. The page is scheduled for an update to make it applicable to Graham.

SHARCNET provides official support, including installing and maintaining the software, for a limited number of supported software packages. In addition, we also provide documentation that we and our user community have written while installing other, less frequently requested packages. Packages in each group can be found listed below. If you would like for SHARCNET to support a particular package please email help@sharcnet.ca.

For SHARCNET supported software packages all version info, installation listings, announcements and mailing list information can be found in the SHARCNET web portal. Usage documentation for each of the packages can be found in the following list.


Package Name Brief Description
ABAQUS Abaqus Unified FEA Suite from Simulia (commercial, groups: abaqus, uw_abaqus)
ABINIT Calculate Ground State & Response Functions using Density-Functional Theory
ADF/BAND Amsterdam Density Functional Software (commercial, group adf)
AMBER Molecular Dynamics Simulation On Biomolecules (commercial)
ANSYS Fluent, CFX and Icemcfd CFD Software Collection (commercial, group: fluent)
BIOPERL Toolkit of Perl Modules For Bioinformatics
BLAST Basic Local Alignment Search Tool
BLCR checkpoint resume software
CDF The Common Data Format
COMSOL Finite Element Analysis
CPMD Parallelized Plane Wave Implementation of DFT
DeMON Package for Density Functional Theory (DFT) Calculations
DLPOLY General Purpose Molecular Dynamics Simulation Package
ESPRESSO Plane-Wave Self-Consistent Field (PWSCF)
FIREFLY Ab Initio and DFT Computational Chemistry Program (PC GAMESS)
GAUSSIAN Computational Chemistry Software (commercial, group: gaussian)
GEANT4 The Geant4 Toolkit
GROMACS Molecular Dynamics for Biomolecular Systems
HARMINV Program and Library to Solve Harmonic Inversion
ILOG/CPLEX Optimizer to Solve Very Large Optimization Problems (group: wlu_users)
JDK Java Standard Edition Development Kit
LAMMPS Large-scale Atomic/Molecular Massively Parallel Simulator
LS-DYNA General Purpose Transient Dynamic FE Program (commercial, groups: lsdyna, uw_lsdyna)
LUMERICAL High Performance Microscale Optics Simulation Software (commerical, group lumerical)
MAPLE MAPLE (commercial, groups: uwo_users, brocku_users
MATLAB MATLAB and Parallel Computing Toolbox (commercial, groups: matlab, uwmatlab)
MPIBLAST Parallel Implementation of NCBI BLAST
MrBAYES Bayesian estimation of phylogeny.
NAMD Parallel Molecular Dynamics Program
NWCHEM Computational Chemistry Package
OCTAVE High level language mostly compatible with Matlab.
PHYLIP Phylogeny Inference Package
R Language/environment for statistical computing
SIESTA Linear-scaling DFT based on Numerical Atomic Orbitals
TORQUE Resource Manager and Cluster Scheduler (development use)
ActivePerl A More Recent Release of Perl from the ActivePerl Community Edition
CUDA NVIDIA Cuda Toolkit for General Purpose Computation on GPU Equipped Systems
FPC Free Pascal Compiler
GCC GNU Compiler Collection
GPC Gnu Pascal Compiler
IBM XL IBM XL compilers for multicore acceleration (Cell)
INTEL Intel Compilers and Performance Tools
Open64 The AMD x86 Open64 Compiler Suite (for evaluation)
OpenCL Open Computing Language - framework for heterogeneous computing (GPGPU)
Pathscale Default Compiler on Opteron Based Clusters
Portland PGI Fortran, C and C++ Compiler
Python Powerful Dynamic Programming Language (includes mpi4py and numpy)
Yorick Interpreted Programming Language for Scientific Simulations (NEW!)
DDT Powerful Parallel Debugger with Graphical Interface
VALGRIND Memory debugging
ACML AMD Core Math Library
ATLAS Automatically Tuned Linear Algebra Software (removal pending jan 2011)
BLACS Basic Linear Algebra Communication Subprograms
BLAS Basic Linear Algebra Subprograms
CHARM++ Parallel language and library based on C++
FFTW Library for Computing the DFT
GMP GNU Multiple Precision Arithmetic Library
GSL GNU Scientific Library
HDF Library and File Format to Store Scientific Data
HP-MPI HP's MPI implementation
IMSL IMSL Fortran Numerical Library (commercial, group: imsl)
IPM Parallel Code Profiling Library
JASPER Toolkit for Image Processing
LAPACK Linear Algebra PACKage
MKL Intel Math Kernel Library (threaded lapack, blas, fft, etc)
MPFR Multiple-Precision Floating-Point Computations with Correct Rounding
MPFUN Fortran-90 Arbitrary Precision Package
NAG Fortran Library and Parallel Library (commercial)
NetCDF Network Common Data Form
OpenMPI Open source MPI implementation
PARI/GP Computer Algebra System
PERLMODULES User requested cluster installed perl modules
PETSc_SLEPc Parallel solver for systems of PDEs and Scalable Library for Eigenvalue Problem Computations
PNETCDF A High Performance API for NetCDF File Access
QD Double-Double and Quad-Double Arithmetic
ScaLAPACK Parallel Linear Algebra Calculations
SPRNG Scalable Parallel Pseudo Random Number Generators Library
OPT Optimization and MPI Profiling Tool
CLN Class Library for Numbers
CP2K Atomistic and Molecular Simulations of Solid State, Liquid, Molecular and Biological Systems
FREEFEM++ A Language Dedicated to the Finite Element Method
MPICH2 An implementation of the Message-Passing Interface
OpenFOAM An open-source based CFD software
PARPACK Parallel ARPACK to Solve Large Scale Eigenvalue Problems
WRF The Weather Research and Forecasting Model
BINUTILS A Collection of Recently Updated Binary Tools
CMAKE Cross Platform Make
COMPILE Generic compilation script
GIT The Fast Distributed Version Control System
MERCURIAL A distributed source control management tool
NXCLIENT Remotely Connect to a Virtual Desktop on an X11 Computer
RLWRAP Readline Feature Command Line Wrapper (NEW!)
SQ SHARCNET queueing scripts
SUBVERSION A Full-Featured Version Control System
UTIL Command Line Tools to Check User, Queue, Job and System Status
VIM Highly Configurable and Efficient Text Editor
GNUPLOT A command-driven interactive 2d and 3d function plotting program
GRAPHVIZ Represent structural information as diagrams of abstract graphs and networks
HYPERMESH Altair Hyperworks Suite (commercial, hyperworks group, limited access)
ICEMCFD ANSYS Icemcfd Meshing Software (commercial, group: fluent)
ImageMagick Software for the creation, modification and display of bitmap images
NXCLIENT_NEW A tool for enabling remote desktop access. (NEW!)
PARAVIEW Parallel Visualization Application
Scilab Open Source Platform for Numerical Computation
VisIt VisIT Visualization Tool
VMD Visual Molecular Dynamics
XCrySDen Crystalline and Molecular Structure Visualisation
RMPI R wrapper for MPI support
FEniCS Free software package for automated, efficient solution of differential equations.