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SIESTA is both a method and its computer program implementation, to perform efficient electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids. More information can be found from here.

2014/04 - Invited talk: MVAPICH

The April 2014 HPC Tech Talk (Tuesday, April 22th from 4-5PM) will provide some brief OSC updates, have a user-driven Q&A session, and will close with an invited talk about MPI-3 from the MVAPICH developers from The Ohio State University. To get the WebEX information and add a calendar entry, go here. Slides are available below.

Charging for memory use
NB: This document is discussing a change to the Resource Unit (RU) calculation formula. Academic RU allocations are still fully subsidized by the State of Ohio.

The only resource OSC currently charges for on batch jobs is processor use. We are considering a modification to our charging policy to reflect the fact that memory is also a scarce resource that should be accounted for in resource usage charges. The proposed change affects only Oakley jobs that request more than 4GB memory per processor (core).

Compilation Guide

As a general recommendation, we suggest selecting the newest compilers available for a new project. For repeatability, you may not want to change compilers in the middle of an experiment.


We recommend the Intel compilers on Oakley.



LS-PrePost is an advanced pre and post-processor that is delivered free with LS-DYNA. The user interface is designed to be both efficient and intuitive. LS-PrePost runs on Windows, Linux, and Unix utilizing OpenGL graphics to achieve fast rendering and XY plotting. The latest builds can be downloaded from LSTC's FTP Site.


User-Defined Material for LS-DYNA

This page describes how to specify user defined material to use within LS-DYNA.  The user-defined subroutines in LS-DYNA allow the program to be customized for particular applications.  In order to define user material, LS-DYNA must be recompiled.


LS-DYNA with user defined material models are only available on the Glenn Cluster.


The following versions on Glenn are available for use with user defined material models:

2014/03 - OSC OnDemand

The March 2014 HPC Tech Talk (Tuesday, March 18th from 4-5PM) will provide some brief OSC updates, have a user-driven Q&A session, and will close with a live demonstration of OSC's OnDemand service. You can register for the WebEX session here. Slides are available below.

2014/02 - Computational Chemistry on the GPUs

The February 2014 SUG HPC Tech Talk focused on using the NVIDIA GPUs for computational chemistry. Slides are attached.

SUG HPC Tech Talks

Begining in February 2014 we started conducting nominally monthly online conference calls titled "HPC Tech Talks". These are intended to reach active users on our systems and provide an engagement opportunity for users to learn about recent changes to our production services, and for staff to learn about issues impacting the user community. Additionally, we use this opportunity to provide a more in-depth view of one particular topic.

We will be archiving materials from these calls here, for later reference for the user community.


ParaView is an open-source, multi-platform application designed to visualize data sets of size varying from small to very large. ParaView was developed to support distributed computational models for processing large data sets and to create an open, flexible user interface.