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 1 2010

October 1, 2010 12:34 pm EDT

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

ANNOUNCEMENTS

Welcome to our new CCMST members:

  • Huifang Li, Post-doctoral fellow in the Brédas Group.
  • Hua Geng, visiting Research Scholar in the Brédas Group.
  • Thomas Koerzdoerfer, Post-doctoral fellow in the Brèdas Group.

STATISTICS

FGATE

Uptime: 51 days
/home directory usage: 74% (1.6 TB available)
/backups directory usage: 79%

LSF usage for Week 38 (9/20-9/26) (times are in minutes)
GroupJobsTotal CPUAvg CPU Avg WaitAvg Trnr.
Bredas 41 56989 3% 1390 157 1518
Hernandez 2295 298825 15% 130 46 177
Sherrill 242 372790 19% 1540 10124 11669
Other 2 47977 2% 23989 2 24002
Total 2580 776580 40% 301 993 1295

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

Most productive user of the Week: kennedy 240688.

EGATE

Uptime: 306 days
/theoryfs/common directory usage: 36% (428GB available)
/theoryfs/ccmst directory usage: 85% (133 GB available)

LSF usage for Week 38 (9/20-9/26) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Sherrill 1324 1632866 108% 1233 1090 3729
Other 45 75195 5% 1671 128 1808
Total 1369 1708061 113% 1248 1059 3666

Note: percentages refer to the total CPU time available for the period. The total CPU time reported in the table is the cumulative CPU times for jobs that exited the queue during the reporting period, irregardles of when they started running, for this reason cumulative percentage usage higher than 100% are possible

Most productive user of the Week: sahan 980948.

TIP OF THE WEEK

By Michael Marshall and Massimo

Browsing Literature With Google Reader

Google Reader is a great tool for browsing the scientific literature and keep current with the latest developments in your field. With Google Reader you can subscribe to your favorite journals and browse the new articles as soon as they are put on line. Once you have configured your list of subscriptions, you can browse it whenever you have internet access: at the office, at home or on the move. Adding to your web browser the new LibX GT web localizer will allow you to access the journal contenst directly from the GT Library catalog.

We have collected a list of Theoretical/Computational chemistry Journal that can be used as basis to configure Google Reader (or other news aggregators that support the OPML format). You can find the list on the CCMST Wiki, together with instructions on how to upload it to Google Reader.

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.