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.

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

On July 24th, OSC implemented changes to the Resource Unit (RU) calculation formula. Academic RU allocations are still fully subsidized by the State of Ohio.

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).

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