Molpro 2012.1.13 has been installed on Oakley and is accessible by loading a molpro module.
GAMESS 1 May 2013 (R1) has been installed on Oakley and is accessible by loading the gamess module.
- SIESTA 3.2 has been installed on Oakley, and is available by loading the siesta module for the serial package, and siesta_par module for the parallel package.
- A software page has been created that provides instructions for batch use of SIESTA on Oakley.
- A module lspp has been created for LS-PrePost 4.0 on Oakley, and the LS-PrePost software page has been updated to reflect the change.
- LS-TaSC 3.0 has been installed on Oakley, and is available by loading the lstasc module on Oakley.
- A software page had been created for LS-TaSC with more information on this package.
This document shows you how to set soft limits using
ulimit command sets or reports user process resource limits. The default limits are defined and applied when a new user is added to the system. Limits are categorized as either soft or hard. With the
ulimit command, you can change your soft limits for the current shell environment, up to the maximum set by the hard limits. You must have root user authority to change resource hard limits.
- Added the following versions of MATLAB to Oakley:
- Updated the MATLAB software page to reflect system changes.
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.