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.
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 firstname.lastname@example.org 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.
squeue command to check the status of your jobs, including whether your job is queued or running and information about requested resources. If the job is running, you can view elapsed time and resources used.
CUDA™ (Compute Unified Device Architecture) is a parallel computing platform and programming model developed by Nvidia that enables dramatic increases in computing performance by harnessing the power of the graphics processing unit (GPU).
Job scripts are submitted to the batch system using the
sbatch command. Be sure to submit your job on the system you want your job to run on, or use the
--cluster=<system> option to specify one.
Standard batch job
Most jobs on our system are submitted as scripts with no command-line options. If your script is in a file named
In response to this command you’ll see a line with your job ID: