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 11, 2010

June 11, 2010 6:44 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 start next Tuesday, June 15, at 2:00 pm in room MSE 4202A with "Intro to Electronic Structure Theory", by Prof. Sherrill.

The complete schedule of the lectures can be found at http://vergil.chemistry.gatech.edu/opp/sched.html

STATISTICS

FGATE

Uptime: 295 days
/home directory usage: 62% (2.2TB available)
/backups directory usage: 72%

LSF usage for Week 22 (5/31-6/6) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas113320461111%181168818
Hernandez6519272310%29655253609
Sherrill42809424%192745986594
Other100%001
Total124147827725% 3853361159

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

Most productive user of the Week: atucker 192723.

LSF usage for Month of May (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas1131102208012%9043361420
Hernandez450111122613%24691462626
Sherrill7924661495%5897071611
Other867730%8470847
Total2381260622530%109542217 10

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

EGATE

Uptime: 194 days
/theoryfs/common directory usage: 35% (433GB available)
/theoryfs/ccmst directory usage: 78% (194GB available)

LSF usage for Week 22 (5/31-6/6) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas2727380%1010102
Hernandez3019539513%651306547
Sherrill127522521815%17764278
Other167290%46046
Total134842408028%31561411

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

Most productive user of the Week: atucker 195395.

LSF usage for Month of May (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas2337740%1640164
Hernandez2365330348%225902708
Sherrill2655121110818%45656657
Other2251452532%6460675
Total3139189316928%60347809

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

TIP OF THE WEEK

by Michael S. Marshall

How to turn your terminal into a quick calculator

For tcsh: add the following line to your .tcshrc:
alias calc 'awk "BEGIN{ print \!* }" '

For bash: add the following to your .bashrc:
calc() {awk "BEGIN{ print $* }" ;}

Now, from the terminal you can type:
calc 8.0 + 10.0/3.23

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.