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, June 25, 2010

June 25, 2010 11:33 pm EDT
1. Announcements
2.
Statistics
3. Tip of the Week

ANNOUNCEMENTS

Summer Lecture Series in Electronic Structure Theory

Throughout the summer, a series of lectures in electronic structure theory will be presented at the advanced undergraduate / beginning graduate level. Lectures will be held Tuesdays and Thursdays in MSE 4202A from 2-3PM. The summer students, the new theory/computational graduate students, and anyone else who is interested are cordially invited to attend.

The series will continue next week with the following schedule:

  • June 29: Symmetry-Adapted Perturbation Theory (Hohenstein)
  • July 1: Configuration Interaction (Hohenstein) (notes)
The complete schedule of the lectures can be found at http://vergil.chemistry.gatech.edu/opp/sched.html.

STATISTICS

FGATE

Uptime: 309 days
/home directory usage: 63% (2.2TB available)
/backups directory usage: 74%

LSF usage for Week 24 (6/14-6/20) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas14324766813%17329042740
Hernandez19818860910%9531891145
Sherrill10901075%90114151750749
Total35152638527%150016583208

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

Most productive user of the Week: pwinget 204406.

EGATE

Uptime: 208 days
/theoryfs/common directory usage: 35% (432GB available)
/theoryfs/ccmst directory usage: 80% (181GB available)

LSF usage for Week 24 (6/14-6/20) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Hernandez6944251529%641306475
Sherrill10189471%189510562964
Other953280%5920593
Total8846679031%53041205474

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

Most productive user of the Week: atucker 423311.

TIP OF THE WEEK

By Massimo

The LSF command 'bacct' can be used to generate usage statistics (like the one reported above).

Usage statistics for your account can be generated with the following command:
bacct -w -C start-date,end-date
where start-date and end-date are in the form YYYY/MM/DD. To generate statistics for all users:
bacct -w -u all -C start-date,end-date
For a group of users:
bacct -w -u "usr1 user2 user3 ..." -C start-date,end-date

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.