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While we provide a number of Perl modules, you may need a module we do not provide. If it is a commonly used module, or one that is particularly difficult to compile, you can contact OSC Help for assistance, but we have provided an example below showing how to build and install your own Perl modules. Note, these instructions use "bash" shell syntax; this is our default shell, but if you are using something else (csh, tcsh, etc), some of the syntax may be different.
NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters.
Availability and Restrictions
Versions
The following versions of NWChem are available on OSC clusters:
For more information about citations of OSC, visit https://www.osc.edu/citation.
To cite Owens, please use the following Archival Resource Key:
ark:/19495/hpc6h5b1
Please adjust this citation to fit the citation style guidelines required.
An eligible principal investigator (PI) heads a project account and can authorize/remove user accounts under the project account (please check our Allocations and Accounts documentation for more details). This document shows you how to identify users on a project account and check the status of each user.
Glenn Cluster Retired: March 24, 2016
The Glenn Cluster supercomputer has been retired from service to make way for a much more powerful new system. As an OSC client, the removal of the cluster will result in work being added to the heavy workload being handled by Oakley or Ruby, potentially impacting you.
sbatch messages
shell warning
Submitting a job without specifying the proper shell will return a warning like below:
sbatch: WARNING: Job script lacks first line beginning with #! shell. Injecting '#!/bin/bash' as first line of job script.
Errors
If an error is encountered, the job is rejected.
OSC's Owens cluster being installed in 2016 is a Dell-built, Intel® Xeon® processor-based supercomputer.
Linaro MAP is a full scale profiler for HPC programs. We recommend using Linaro MAP after reviewing reports from Linaro Performance Reports. MAP supports pthreads, OpenMP, and MPI software on CPU, GPU, and MIC based architectures.
Linaro Performance Reports is a simple tool used to generate a single-page HTML or plain text report that presents the overall performance characteristics of HPC applications. It supports pthreads, OpenMP, or MPI code on CPU, GPU, and MIC based architectures.
Many software packages require a license. These licenses are usually made available via a license server, which allows software to check out necessary licenses. In this document external refers to a license server that is not hosted inside OSC.
If you have such a software license server set up using a license manager, such as FlexNet, this guide will instruct you on the necessary steps to connect to and use the licenses at OSC.
Users who wish to host their software licenses inside OSC should consult OSC Help.