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 8 2010

October 8, 2010 1:01 pm EDT

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

ANNOUNCEMENTS

Welcome to our new CCMST members:

  • Khan Do, graduate student in the Brédas Group.
  • Casey Campbell, graduate student in the Brédas Group.
  • Hao Wang, Post-doctoral fellow in the Brédas Group.

STATISTICS

FGATE

Uptime: 58 days
/home directory usage: 76% (1.4 TB available)
/backups directory usage: 85%

LSF usage for Week 39 (9/27-10/3) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 57 37520 2% 658 295 4428
Hernandez 3191 127669 7% 40 12 53
Sherrill 292 569077 29% 1949 9642 11015
Other 5 26109 1% 5222 0 4881
Total 3545 760374 39% 214 810 1033

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

Most productive user of the Week: sahan 317617.

LSF usage for Month of September (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 201 503025 6% 2503 695 4722
Hernandez 9595 1230916 15% 128 54 183
Sherrill 1068 1640658 20% 1536 7916 9354
Other 27 155303 2% 5752 109 5613
Total 10891 3530082 43% 324 837 1179

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

 

EGATE

Uptime: 313 days
/theoryfs/common directory usage: 36% (428GB available)
/theoryfs/ccmst directory usage: 85% (133 GB available)

LSF usage for Week 39 (9/27-10/3) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Sherrill 334 825344 55% 2471 7465 9996
Other 101 180775 12% 1790 0 1800
Total 435 1006119 67% 2313 5732 8093

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

Most productive user of the Week: sahan 371179.

LSF usage for Month of September (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Hernandez 701 162046 3% 231 50 292
Sherrill 3310 3245069 50% 980 851 2388
Other 323 467932 7% 1449 89 1575
Total 4334 3875048 60% 894 664 1988

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

 

TIP OF THE WEEK

By Massimo

Manage Your Bibliography with Firefox and Zotero

Zotero (www.zotero.org) is a free Firefox extension that helps collect, manage, cite and share research sources, adding bibliographic software capabilities to your web browser. Nowadays virtually all bibliographic research is done with a web browser, thus having your web browser double as bibliography manager can simplify your task and improve productivity. Here are some of the features of Zotero I find most useful:

  • Import a citation with one click of the mouse. If you are browsing a scientific journal, Zotero will recognize it and allow you to import the citation with one mouse click. You can also import web pages and blog articles.
  • Intuitive interface. It is quite easy to manage your collection and divide it by topics. The search capabilities are powerful.
  • Compatibility. It is easy to import/export collections to other software (EndNote, Bibtex, etc). There are word processor plugins for inserting citations into Word and OpenOffice documents.
  • Store PDF files. You can add attachments to your entries, for instance PDF copies of articles. Another very useful capability of Zotero is that it can scan a PDF file, and if it finds the appropriate metadata, it can automatically retrieve the citation data using Google Scholar. Thus, if you have a bunch of PDF copies of articles that you need to organize, just import them into Zotero and use this feature to generate the citation data.
  • Zotero can remember proxy servers. If you access an electronic journal using a proxy server (for instance the GT library), Zotero will remember it, and next time you access the journal site it will automatically use the same proxy. This feature is very useful if you use Google Reader for browsing the literature (as suggested in last week TOTW), as after the first time you use the GT library to browse a certain journal, then you do not even have to use the GT localizer, as Zotero will remeber to use the GT proxy next time you browse the same journal.
  • Store your bibliography on line. You can open an account and store your data on the Zotero server. Then if you install Zotero on all your browsers (office, home, laptop, etc) you can syncronize with your account and be sure to have all your bibliography collection whenever you need it. 

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.