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.
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.
In the past, only processor use in batch jobs was considered when calculating RUs. The change in our charging policy will reflect the fact that memory is also a scarce resource that should be accounted for in RU charges. The proposed change affects only Oakley jobs that request more than 4GB memory per processor (core).
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.
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:
The ANSYS and ABAQUS modules on Glenn and Oakley have been modified to allow all users to select the base module instead of special modules, which was previously required for licensing purposes. For example, if you wish to use ANSYS 14 on Oakley, all users should load the ansys/14 module (not 14-com or 14-nimbis), and they will automatically be pointed at the correct license server.
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.