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 Oakley Cluster is leased by the Biomedical Informatics Institute at The Ohio State University. This condo is a temporary "bridge" condo to server the community needs until the Owens Cluster is available.
Detailed system specifications for the Oakley condo:
12 cores per node
OSCusage is command developed at OSC for use on OSC's systems. It allows for a user to see information on their project's current RU balance, including which users and jobs incurred what charges.
In order to allow for a more equal distribution of resources amongst our community, the limit on the maximum cores in use by a user and by a group have both been temporarily reduced from 2040 cores to 1500 cores.
The max size of a parallel job has also been reduced from 170 nodes to 125 nodes.
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.
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.
OpenMPI 1.10 has been installed on Oakley and Ruby; usage is via the module openmpi/1.10. For information on installation details see our website at: https://www.osc.edu/supercomputing/software/openmpi