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The General Atomic and Molecular Electronic Structure System (GAMESS) is a flexible ab initio electronic structure program. Its latest version can perform general valence bond, multiconfiguration self-consistent field, Möller-Plesset, coupled-cluster, and configuration interaction calculations. Geometry optimizations, vibrational frequencies, thermodynamic properties, and solution modeling are available.
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.
This document shows you the steps to install R packages locally without root access on OSC's clusters.
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.
Intel Compilers, Tools, and Libraries
Intel Corporation (http://www.intel.com), well-known for hardware technology since introducing the world's first microprocessor in 1971, also produces an array of software development products which are available for OSC users across Ohio.
HyperWorks is a high-performance, comprehensive toolbox of CAE software for engineering design and simulation. The products contained within HyperWorks are summarized below:
Through continued funding from the Ohio Department of Higher Education, OSC is able to provide statewide licenses for software tools that will facilitate research. These licenses are available to higher education researchers throughout the state.
Software available through OSC's Statewide Software License Distribution
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.
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.