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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
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:
Please adjust this citation to fit the citation style guidelines required.
ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave or wavelet basis.
"Condo model" refers to an arrangment when a client leases one or more compute nodes for the shared cluster while OSC provides all infrastructure, as well as maintenance and services. BMI's Condo on the Owens Cluster is leased by the Biomedical Informatics Institute at The Ohio State University.
On Owens, the condo specifications are:
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.
We have been adding some output from
qsub that should aid you in creating better job scripts. We've documented the various messages here.
A "NOTE" message is informational; your job has been submitted, but
qsub made some assumptions about your job that you may not have intended.
Elmer is an open source multiphysical simulation software developed by CSC - IT (Finland).
From their Github README: