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 21 2011

October 21, 2011 7:12 pm EDT

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


Graduate Research Symposium and Homecoming

October 28, 2011 3:00 PM – 6:30 PM
MoSE G011
Chemistry and Biochemistry Graduate Research Symposium and Homecoming



Uptime: 125 days
/home directory usage: 47% (5.9 TB available)
/backups directory usage: 95%

Utilization for period from: 09/20/2011 to: 10/20/2011

Note: Full statistics for ggate are available online at: (the link works only for the Gatech Chemistry network)


Uptime: 89 days
/home directory usage: 78% (1.3 TB available)
/backups directory usage: 87%

LSF usage for Week 41 (10/10-10/16) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 93 10968 1% 118 12 144
Sherrill 90 155596 8% 1729 1827 4856
Total 183 166564 9% 910 905 2461

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

Most productive user of the Week: loriab 155578.


By Massimo

Interactive Science Simulations

The PhET project of the University of Colorado at Boulder has a web site containing a large number of fun science simulations. These are interactive simulations of physical phenomena based on research. One can find simulation of physics, biology, chemistry, earth science and math for all levels: from elementary school to university and cutting edge research level. The simulations can be downloaded or run interactively. They require a browser with java and flash enabled.

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.