Software at OSC |
Software Available at OSCABAQUS - a finite element analysis program ACML - The AMD Core Math Library (ACML) is a set of numerical routines tuned specifically for AMD64 platform processors Altair HyperWorks* - high-performance, comprehensive toolbox of CAE software for engineering design and simulation AMBER - a molecular simulation program ANSYS - an engineering package and support routines for general-purpose, finite-element analysis: statics, mode frequency, stability analysis, heat transfer, magnetostatics, coupled field analysis, and modeling bcMPI - a software package that implements MPI extensions for MATLAB and GNU Octave bioperl - offers a set of perl modules which can be used for sequence manipulation BLAST - tools for searching DNA and protein databases for sequence similarity to identify homologs to a query sequence BLAT - a sequence analysis tool which performs rapid mRNA/DNA and cross-species protein alignments ClustalW - a general purpose multiple sequence alignment program for DNA or proteins CNS - a flexible macromolecular structure determination software suite for X-ray crystallography and solution NMR spectroscopy COLUMBUS - an ab initio electronic structure program suite COMSOL Multiphysics - (formerly FEMLAB) is a finite element analysis and solver software package for various physics and engineering applications CSD - The Cambridge Structural Database (CSD) contains complete structure information on hundreds of thousands of small molecule crystals. disktmake- a replacement for "make" to define job workflow and execute commands on multiple nodes. EMBOSS - a sequence analysis package specially developed for the needs of the molecular biology user community ESPRESSO/PWscf - suite of computer codes for electronic-structure calculations FFTW - a C subroutine library for computing the discrete Fourier transform (DFT) Fluent - a general-purpose program for modeling a wide range of fluid-flow and related transport problems GAMESS - a flexible ab initio electronic structure program Gaussian 98 - a connected system of programs for performing semiempirical, ab initio, and density functional molecular orbital (MO) calculations Gaussian 03 - a connected system of programs for performing semiempirical, ab initio, and density functional molecular orbital (MO) calculations Gnuplot - a portable command-line driven interactive data and function plotting utility GROMACS - a versatile package to perform molecular dynamics HDF5 - a general purpose library and file format for storing scientific data HMMER - used to do sensitive database searching using statistical descriptions of a sequence family's consensus Intel Compilers - an array of software development products from Intel, including C++, FORTRAN compilers and Math Kernel Library (MKL) Intel MKL* - Intel Math Kernel Library. It contains LAPACK, BLAS, some FFT routines, and a miscellany of other math capabilities. Jmol - a simple molecular visualization program LAMMPS - a classical molecular dynamics code designed for high-performance simulation of large molecular systems LSDYNA - an explicit three-dimensional, finite-element code for analyzing the large deformation dynamic response of inelastic solids and structures LS-PREPOST - a pre-processor for LSDYNA MacroModel® - molecular modeling software package that allows the graphical construction of complex chemical structures and the application of molecular mechanics and dynamics techniques in vacuo or in solution MATLAB - a technical computing environment for high-performance numeric computation and visualization that integrates numerical analysis, matrix computation, signal processing, and graphics in an easy-to-use envionment MEAD - a Poisson-Boltzmann solvation modeling package for biologcal systems MINPACK - a library of Fortran routines for the solution of non-linear, multivariate minimization problems MPI - a standard library for performing parallel processing using a distributed-memory model mpiexec - a replacement program for the script mpirun, which is part of the mpich package. It is used to initialize a parallel job from within a pbs batch or interactive environment. MrBayes - a program for the Bayesian estimation of phylogeny NAMD - a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems NetCDF (Network Common Data Form) - an interface for array-oriented data access NWChem - a general purpose electronic structure program designed for maximum efficiency on massively parallel computers Octave - a high-level language, primarily intended for numerical computations Open Babel - a chemical toolbox mainly for data format conversion OpenFOAM - a suite of computational fluid dynamics applications OSC passwd - change your login password or login shell on OSC systems OSC RU Usage - retrieves accounting data parallel-command-processor - a program for running a large number of serial processes on a number of allocated nodes/processors ParaView - an open-source, multi-platform application designed to visualize data sets Partek* - Partek is an integrated, scalable software environment capable of analysis and transformation of millions of records or millions of variables. PAUP -- a leading program for performing phylogenetic analysis for bioinformatics sequences. PGI compilers - Parallel Fortran, C, C++ compilers for Intel platforms R - a language and environment for statistical computing and graphics ScaLAPACK - a library of high-performance linear algebra routines for distributed-memory message-passing MIMD computers and networks of workstations supporting PVM and/or MPI sprng & sprng2 - a scalable package for parallel pseudo random number generation Stata - a complete, integrated statistical package that provides everything needed for data analysis, data management, and graphics TotalView Technologies Totalview* - debugger for complex code Torque - a networked subsystem for submitting, monitoring, and controlling a work load of batch jobs on one or more systems Turbomole - a program package for ab initio electronic structure calculations VASP - the Vienna ab-initio simulation package VolSuite - a cross-platform, open source application framework for the construction of volume-based tools and their integration into a common environment VTK - an open source, freely available software system for 3D computer graphics, image processing, and visualization * Indicates software available through OSC's Statewide Software License Distribution
|
