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This section summarizes two groups of batch-related commands: commands that are run on the login nodes to manage your jobs and commands that are run only inside a batch script. Only the most common options are described here.
Many of these commands are discussed in more detail elsewhere in this document. All have online manual pages (example: man sbatch ) unless otherwise noted.
The batch system provides several environment variables that you may want to use in your job script. This section is a summary of the most useful of these variables. Many of them are discussed in more detail elsewhere in this document. The ones beginning with SLURM_ are described in the online manual page for sbatch (man sbatch).
SLURM directives may appear as header lines in a batch script or as options on the sbatch command line. They specify the resource requirements of your job and various other attributes. Many of the directives are discussed in more detail elsewhere in this document. The online manual page for sbatch (man sbatch) describes many of them.
Ascend, Owens, Pitzer
FFTW is a C subroutine library for computing the Discrete Fourier Transform (DFT) in one or more dimensions, of arbitrary input size, and of both real and complex data. It is portable and performs well on a wide variety of platforms.
Owens, Pitzer
The BLAST programs are widely used tools for searching DNA and protein databases for sequence similarity to identify homologs to a query sequence. While often referred to as just "BLAST", this can really be thought of as a set of programs: blastp, blastn, blastx, tblastn, and tblastx.
Owens, Pitzer
There are two ways to connect to our systems. The traditional way will require you to install some software locally on your machine, including an SSH client, SFTP client, and optionally an X Windows server. The alternative is to use our zero-client web portal, OnDemand.
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Check out our new online training courses for an introduction to OSC services. You can get more information on the OSC Training page.
Overview
HPC, or High Performance Computing, generally refers to aggregating computing resources together in order to perform more computing operations at once.
Owens
ANSYS offers a comprehensive software suite that spans the entire range of physics, providing access to virtually any field of engineering simulation that a design process requires. Supports are provided by ANSYS, Inc.
Ascend, Owens, Pitzer
The Assisted Model Building with Energy Refinement (AMBER) package, which includes AmberTools, contains many molecular simulation programs targeted at biomolecular systems. A wide variety of modelling techniques are available. It generally scales well on modest numbers of processors, and the GPU enabled CUDA programs are very efficient.
Owens
HyperWorks is a high-performance, comprehensive toolbox of CAE software for engineering design and simulation.
