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Supported Software

This page lists software packages that SHARCNET officially supports. Click on the package name for full version availability and usage documentation. Community contributed information for some less commonly used packages may be found in the User-Installed Packages table. If you need help building a package or would like to request SHARCNET officially support a package please contact us.

Application
ABINIT Calculate Ground State & Response Functions using Density-Functional Theory
ADF/BAND Amsterdam Density Functional Software (group: adf)
ANSYS Fluent, CFX and Icemcfd CFD Software Collection (group: fluent)
CP2K Performs atomistic and molecular simulations
CPMD Parallelized Plane Wave Implementation of DFT
DLPOLY General Purpose Molecular Dynamics Simulation Package
ESPRESSO Plane-Wave Self-Consistent Field (PWSCF)
FIREFLY Ab Initio and DFT Computational Chemistry Program (PC GAMESS)
FREEFEM++ A Language Dedicated to the Finite Element Method
GAP Free System for Computational Discrete Mathematics, in Particular Group Theory.
GAUSSIAN Computational Chemistry Software (group: gaussian)
GEANT4 The Geant4 Toolkit
GROMACS Molecular Dynamics for Biomolecular Systems
ILOGCPLEX Optimizer to Solve Very Large Optimization Problems (group: ilogcplex) )
LAMMPS Large-scale Atomic/Molecular Massively Parallel Simulator
MAPLE MAPLE (groups: uwo_users, brocku_users
MATLAB MATLAB and Parallel Computing Toolbox (groups: matlab, uwmatlab)
MrBAYES Bayesian estimation of phylogeny.
NAMD Parallel Molecular Dynamics Program
NCBIC++TOOLKIT Free, portable, public domain libraries with no restrictions use
NWCHEM Computational Chemistry Package
OCTAVE High Level Language (mostly compatible with matlab)
OPENJDK Open Java Development Kit
ORCA An ab initio, DFT and semiempirical SCF-MO package
PYTHON Powerful Dynamic Programming Language (incudes numpy and scipy)
R Language/environment for statistical computing
SIESTA Linear-scaling DFT based on Numerical Atomic Orbitals
SPARK Fast and general engine for large-scale data processing
TINKER Software Tools for Molecular Design
Bioinformatics
AMBER Molecular Dynamics Simulation On Biomolecules
AUTODOCKVINA Open source molecular modelling docking program.
BIOPERL Toolkit of Perl Modules For Bioinformatics
BIOPERLRUN Provides bioperl interface wrapper modules to various bioinformatics apps
BIOSAMTOOLS Perl interface to read SAM/BAM database files.
BLAST Basic Local Alignment Search Tool
MPIBLAST Parallel Implementation of NCBI BLAST
SAMTOOLS Sequence Alignment/Map generic format for storing large nucleotide sequence alignments
Commercial
ABAQUS Abaqus Unified FEA Suite from Dassault Systemes SIMULIA Corp (groups: abaqus, uw_abaqus)
COMSOL Finite Element Analysis, Solver and Simulation Package
CONVERGE CFD Code Using the AMR Mesh Generation Technique
FDTD Lumerical FDTD for High Performance Microscale Optics Simulation (group: fdtd)
IMSL IMSL Fortran Numerical Library (group: imsl)
LSDYNA General Purpose Transient Dynamic FE Program (group: lsdyna)
MODE Lumerical MODE provide tools for guided and eigenmode expansion (EME) solver (group: mode)
STAR-CCM+ Comprehensive Engineering Simulation Package from CD-adapco (group: starccmplus)
Compiler
CUDA NVIDIA Cuda Toolkit for General Purpose Computation on GPU Equipped Systems
GCC GNU Compiler Collection
GHC An Open Source General-Purpose Purely Functional Programming Language.
INTEL Intel Compilers and Performance Tools
OPEN64 The AMD x86 Open64 Compiler Suite
OPENCL Open Computing Language - framework for heterogeneous computing (GPGPU)
PATHSCALE Alternative compiler (formerly default)
PERL A highly capable, feature-rich programming language
PGI Portland Group PGI Fortran, C and C++ Compiler
Data
CDF The Common Data Format
HDF Library and File Format to Store Scientific Data
NETCDF Network Common Data Form
PNETCDF A High Performance API for NetCDF File Access
Debugging
DDT Powerful Parallel Debugger with Graphical Interface
ECLIPSE Extensible opensource IDE with compiler and debugger integration.
VALGRIND Memory debugging tool
Library
ACML AMD Core Math Library
ARPACK-NG Provides ARPACK and PARPACK Libraries for Solving Eigenvalue Problems.
BLACS Basic Linear Algebra Communication Subprograms
BOOST Free peer-reviewed portable C++ source libraries
CHARM++ Parallel language and library based on C++
FFTW Library for Computing the DFT
GMP GNU Multiple Precision Arithmetic Library
GSL GNU Scientific Library
HP-MPI HP's MPI implementation
MKL Intel Math Kernel Library
MPC C library for the arithmetic of complex numbers with arbitrarily high precision and correct rounding
MPFR Multiple-Precision Floating-Point Computations with Correct Rounding
MPFUN2015 A thread-safe arbitrary precision package written by David H. Bailey
MPFUN90 Fortran-90 Arbitrary Precision Package
OPENMPI Open source MPI implementation
PARI/GP Computer Algebra System
PETSC_SLEPC Parallel solver for systems of PDEs and Scalable Library for Eigenvalue Problem Computations
QD Double-Double and Quad-Double Arithmetic
SPRNG Scalable Parallel Pseudo Random Number Generators Library
SUPERLU Library for direct solution of large, sparse, nonsymmetric linear equation systems.
Profiling
IPM Parallel Code Profiling Library
MAP MPI profiler
OPT Optimization and MPI Profiling Tool
Testing
NIX User Level Purely Functional Package Manager
OPENFOAM An open-source based CFD software
RUBY An open source programming language with a focus on simplicity and productivity
Utility
BINUTILS A Collection of Recently Updated Binary Tools
BLCR Checkpoint & Restart Serial, Threaded or G09 Jobs
CMAKE Cross Platform Make
COMPILE Generic compilation script (obsolete)
COREUTILS A set of basic GNU tools commonly used in shell scripts.
CPAN A recent version of CPAN - Tthe Comprehensive Perl Archive Network
DAR Disk ARchive utility
EMACS An extensible, customizable, free/libre text editor
GIT The Fast Distributed Version Control System
GNU Selected packages from the GNU project
LDWRAPPER A wrapper to ensure LD_RUN_PATH is used.
MERCURIAL A distributed source control management tool
PROOT A user-space implementation of chroot, mount --bind, and binfmt_misc
RLWRAP Readline Feature Command Line Wrapper
SQ Sharcnet Queueing Scripts inc sqsub, sqkill, sqjobs
SUBVERSION A Full-Featured Version Control System (SVN)
TEXLIVE Recently updated complete TeX production system including LaTeX.
UTIL Command Line Tools to Check User, Queue, Job and System Status
VIM Highly Configurable and Efficient Text Editor
Visualization
GDL GNU Data Language is free compiler for data analysis and visualization.
GNUPLOT A command-driven interactive 2d and 3d function plotting program
GRACE A 2D plotting tool descended from xmgr
GRAPHVIZ Represent structural information as diagrams of abstract graphs and networks
HDFVIEW Visual Tool for Browsing and Editing HDF4 and HDF5 files.
IMAGEMAGICK Software for the creation, modification and display of bitmap images
JALVIEW Open source bioinformatics software with 3D structure visualisation/analysis capabilities.
JUPYTER Produce notebook documents including graphics
LSPREPOST Advanced pre and post-processor for LS-DYNA.
MGLTOOLS Visualization and analysis of molecular structures.
MOLDEN A pre and post processing program of molecular and electronic structure
NCL NCAR Command Language and NCAR Graphics
OPENCV A Library of programming Functions for Real Time Computer Vision.
PARAVIEW Parallel Visualization Application
SCILAB Open Source Platform for Numerical Computation
VESTA Visualization for Electronic and Structural Analysis
VISIT VisIT Visualization Tool
VMD Visual Molecular Dynamics
XCRYSDEN Crystalline and Molecular Structure Visualisation
YT Python-based package for visualization of AMR datasets
New package