e-Research

High Performance Computing

Access to our Research computing systems requires a project to be defined by the Lead Researcher, Project members can then be added to the project.

Hercules - A High Performance Computing Cluster

The e-Research Office, VPAC and ICT have installed a 24 node high performance computing cluster. The System comprises:

- 24 node AMD four-core/dual cpu servers, including 1 server as a control node (resulting in 177 cores for computation) with 32 GB RAM per CPU.
- High speed infiniband interconnect with network switch and Gigiabit Ethernet connection to the network.
- 1 TB disk space per node.

The cluster is managed by ICT and VPAC, using the same programs that VPAC currently runs along with specialised La Trobe applications.

It is expected Gaussian users are familiar with how it should run. A basic connection guide is available as Technical Note 2.

An easy access interface will be available for users, especially for first-time users.

The High Performance Computing Cluster can be accessed via the Research Portal web page. The registration process and account creation is via a workflow and will be handled automatically. Project creation can take up to 3 business days if checking needs to be done.

Gaussian

Gaussian predicts the energies, molecular structures, and vibrational frequencies of molecular systems, along with numerous molecular properties derived from these basic computation types. This server has AMD 2.2 GHz four-cpu/dual core and 64 GB RAM, plus 700GB of high speed disk to enable large Gaussian jobs to run. It is useful for chemists, biochemists, physicists and others. If you have a use for this program please register your project at:

http://www.latrobe.edu.au/eresearch/request-form.html

Note that you must be the lead researcher to register a project. Once the project is registered your project colleagues and students can register individually at:

http://www.latrobe.edu.au/eresearch/join-project.html

You will receive an email from the e-Research office in due course notifying whether your project has been accepted or rejected. If the project has been accepted your details will be sent to the ICT Service Desk for an account to be created on the appropriate computer.

Thus, your project becomes one group of accounts that access common resources. In due course, when the high performance cluster and research disk space come on line, your accounts will allow access to common files and resources under that project.

Please note that there may be up to a 48 hour turnaround for project requests (especially if any checking needs to be done), and 24 hours for account requests, depending on the availability of the lead researcher to authorise them.

It is expected Gaussian users are familiar with how it should run. A basic connection guide is available as Technical Note 1. Online manuals are available from http://www.gaussian.com

If you have any problems with the server or operation please contact the ICT service desk: ict.servicedesk@latrobe.edu.au or x1500.

For further information please contact the e-Research Office on 5482 or email eresearch@latrobe.edu.au.