Center for Computational Molecular Science and Technology Georgia Institute of Technology Center for Computational Molecular Science and Technology School of Chemistry and Biochemistry

CCMST Weekly News, April 6 2012

April 6, 2012 6:50 pm EDT

1. Announcements
2. Tip of the Week


Ggate Maintenance Starts Wednesday 04/11 at 1:00 PM

Ggate will undergo extraordinary maintenance starting this Wednesday at 1:00 PM. The maintenance work will consist of the following:

  • Full backup of the user data
  • Clean reinstall of the operating system
  • Addition of a new 4 socket 64 core compute node
  • Reconfiguration of the user authentication to use the Gatech LDAP directory
  • Restore of tuser data and computational software

The whole procedure is expected to take about 10 days to complete. The process will include the upgrade of the Scyld Clusterware software, this is expected to solve the instability issues that have affected ggate lately. VASP jobs will be enabled again after the upgrade.

Users are advised to backup any important data before the maintenance starts, and to download off ggate any data they may need during the maintenance period.

Vasser Woolley Lecture

April 10, 2012 4:00 pm - 5:00 pm
MoSE G011
Prof. Margaret Murnane, University of Colorado at Boulder
Science on the Timescale of the Electron: Coherent keV X-rays from Tabletop Lasers and Applications in Nanoscience

COPE Seminar Series

April 12, 2012 11:00 am - 12:00 pm
MoSE 1201A
Dr. Eric Vogel, Georgia Tech
Low-Temperature Processed Materials for Neuromorphic Circuits

School Colloquim

April 12, 2012 4:00 pm - 5:00 pm
MoSE G011
Dr. Cynthia Bruckner-Lea, Pacific Northwest National Laboratory
Biological detection and forensics: Approaches for the analysis of complex samples


By Massimo


This is an encore presentation of an old TOTW, for people considering backing up data from the clusters to their local machines.

Rsync is an utility to synchronizes files and directories from one location to another while minimizing data transfer. Rsync is quite efficient because when syschronizing two files only the differences between the two copies are transferred. Rsync can be used as an alternative to scp to backup and/or transfer data to and from the CCMST clusters. Rsync uses ssh as transport protocol, and its syntax is quite similar to the scp command:

  • rsync [OPTIONS] SOURCE DESTINATION. As for scp, SOURCE and DESTINATION can be of the form: [[user@]host:]file_path.

Here are some simple examples. To synchronize a remote directory jobs (say on fgate) to the directory jobs at the current location type:

  • rsync -av .

After the command has finished, the current directory will contain a subdirectory jobs which is the exact copy of the remote directory located on fgate.

Note that the presence of a terminating / in a directory path name changes the behavior of rsync:

  • rsync -av .

The above command will transfer only the contents of the remote directory, but not the directory name itself, in other words the content of the remote directory will be dumped in the current location without creating a subdirectory.

Type man rsync to learn more about the command usage and its options.

Do you have usage tips that you want to share with the other CCMST users? Please send them to Massimo ( for inclusion in the Tip of the Week section.