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, October 29 2010

October 29, 2010 2:15 pm EDT

1. Announcements
2. Statistics
3. Tip of the Week

ANNOUNCEMENTS

Atlanta Area Chemical Physics Seminar Series

November 1, 2010 8:00 PM – 9:00 PM MoSE G011
Prof. Steve Buratto, University of California Santa Barbara
Photophysics of Organic Semiconductors Probed by Single Molecule Fluorescence and High Spatial Resolution Chemical Imaging

STATISTICS

FGATE

Uptime: 79 days
/home directory usage: 59% (2.4 TB available)
/backups directory usage: 97%

LSF usage for Week 42 (10/18-10/24) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg W aitAvg Trnr.
Bredas 207 92352 5% 446 1571 2046
Hernandez 1506 128111 7% 85 19 105
Sherrill 223 199905 10% 896 2248 2960
Other 101 63017 3% 624 0 626
Total 2037 483385 25% 237 419 641

Note: percentages refer to the total CPU time available for the period.

Most productive user of the Week: sahan 117325.

EGATE

Uptime: 3 days
/theoryfs/common directory usage: 36% (428GB available)
/theoryfs/ccmst directory usage: 86% (130 GB available)

LSF usage for Week 42 (10/18-10/24) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 29 4551 0% 157 0 158
Hernandez 204 4826 0% 24 218 248
Sherrill 633 781283 52% 1234 10765 12045
Other 92 174294 12% 1895 470 2488
Total 958 964956 64% 1007 7204 8255

Note: percentages refer to the total CPU time available for the period.

Most productive user of the Week: sahan 408083.

TIP OF THE WEEK

By Massimo

Rsync

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 user@fgate.chemistry.gatech.edu:~/jobs .

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 user@fgate.chemistry.gatech.edu:~/jobs/ .

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 (massimo.malagoli@chemistry.gatech.edu) for inclusion in the Tip of the Week section.