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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.
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.
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.
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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Overview
HPC, or High Performance Computing, generally refers to aggregating computing resources together in order to perform more computing operations at once.
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.
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.
HyperWorks is a high-performance, comprehensive toolbox of CAE software for engineering design and simulation.
The batch scheduler is configured with a number of scheduling policies to keep in mind. The policies attempt to balance the competing objectives of reasonable queue wait times and efficient system utilization. The details of these policies differ slightly on each system. Exceptions to the limits can be made under certain circumstances; contact oschelp@osc.edu for details.
Several commands allow you to check job status, monitor execution, collect performance statistics or even delete your job, if necessary.
Status of queued jobs
There are many possible reasons for a long queue wait — read on to learn how to check job status and for more about how job scheduling works.