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 18, 2010

June 18, 2010 9:49 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 22: Hartree-Fock MO Theory Part I (Sherrill) (notes)
  • June 24: Hartree-Fock MO Theory Part II (Sherrill)
The complete schedule of the lectures can be found at http://vergil.chemistry.gatech.edu/opp/sched.html.

STATISTICS

FGATE

Uptime: 302 days
/home directory usage: 63% (2.2TB available)
/backups directory usage: 74%

LSF usage for Week 23 (6/7-6/13) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas131628929715%220289603
Hernandez10118921610%18734792360
Sherrill991078876%109028624000
Total151658639930%387469942

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

Most productive user of the Week: atucker 189003.

EGATE

Uptime: 201 days
/theoryfs/common directory usage: 35% (435GB available)
/theoryfs/ccmst directory usage: 78% (194GB available)

LSF usage for Week 23 (6/7-6/13) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas2236810%1671169
Hernandez5820532514%354003562
Sherrill26411362319%5226119
Other34348982%102631047
Total275538013425%13825204

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

Most productive user of the Week: atucker 166584.

TIP OF THE WEEK

By John Sears

The compression and default encryption for scp can really slow you down. I did a quick test and fscp between two of our machines was twice as fast as scp. Just add the fo llowing to .bashrc:
alias fscp='scp -c arcfour -o Compression=no
or add this line to your .tcshrc if you are using tcsh:
alias fscp 'scp -c arcfour -o Compression=no

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.