Oakley

SIESTA now available

Date: 
Thursday, May 1, 2014 - 11:00am
Supercomputer: 

 

  • 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.

HOWTO: Use ulimit command to set soft limits

This document shows you how to set soft limits using ulimit command.

The 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.

SIESTA

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.

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