# 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: ansys) |

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) |

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: uw_users, uwo_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 |

LLVM | The LLVM Compiler including clang, openmp, polly, lld, and lldb |

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. |

GDB | The GNU Project Debugger for c, c++ and many more languages |

VALGRIND | Memory debugging tool |

Library | |

ACML | AMD Core Math Library |

ARPACK-NG | Provides ARPACK and PARPACK Libraries for Solving Eigenvalue Problems. |

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 |

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 | Integrated Performance Monitoring for High Performance Computing |

MAP | MPI profiler |

Testing | |

NIX | User Level Purely Functional Package Manager |

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 |

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 |

MONO | Runtime implementation of the ECMA Common Language Infrastructure. |

NINJA | A small build system with a focus on speed. |

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) |

SYSTEM | Updated system packages compiled with the gcc system compiler |

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 |