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, February 4 2011

February 4, 2011 3:02 pm EST

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

ANNOUNCEMENTS

Physical Chemistry Seminar Series

February 8, 2011 4:00 PM – 5:00 PM
MoSE 3201A
Prof. Geoff Smith, University of Georgia
Laboratory Studies of the Chemical and Optical Transformations of Organic Aerosols in the Atmosphere

School Colloquia

February 10, 2011 4:00 PM – 5:00 PM
MoSE G011
Prof. Joe Perry, Georgia Tech
Organic Materials for All-Optical Switching: Real or Imaginary?

Reminder: Planned Power Outage Scheduled for 3/26-3/27 2011

The MS&E building will be without power during the week end of 03/26-03/27 2011. As consequence, the CCMST clusters venom, fgate and the new ggate cluster will all be powered down. Any job still running by the time of the shut down will be killed. The power outage will not affect egate.

If you are planning on launching large, non restartable jobs on the CCMST clusters that are expected to be still running at the time of the outage, you might want to wait to submit them after the power outage, or, if possible, submit them to egate.

For more information please contact Massimo (massimo.malagoli@chemistry.gatech.edu).

STATISTICS

FGATE

Uptime: 21 days
/home directory usage: 73% (1.6 TB available)
/backups directory usage: 96%

LSF usage for Week 4 (1/24-1/30) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 129 120754 6% 936 4113 5240
Hernandez 452 36717 2% 81 105 207
Sherrill 114 200815 10% 1762 8915 11072
Other 179 479319 25% 2678 153 2870
Total 874 837603 43% 958 1856 2913

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

Most productive user of the Week: espt 478471.

EGATE

Uptime: 101 days
/theoryfs/common directory usage: 41% (397GB available)
/theoryfs/ccmst directory usage: 86% (123 GB available)

LSF usage for Week 4 (1/24-1/30) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 2 36361 2% 18180 47 18351
Hernandez 330 215545 14% 653 222 1206
Sherrill 1840 781410 52% 425 3474 3902
Other 17 53 0% 3 2 6
Total 2189 1033368 68% 472 2954 3479

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

Most productive user of the Week: sahan 680736.

TIP OF THE WEEK

By Massimo

More or Less

More is a Unix command that filters a text file and displays it on the terminal one screenful at a time. The command more nowadays is obsolete and one should use less instead, that provides all the functionality of more plus several enhancements (specially the possibility of moving backward on a file). Less is often used after a pipe (|) command to filter long outputs of other commands, and is particularly useful when dealing with large files as the command does not need to load the whole file before starting (contrary to editors like vi) and thus is not slowed down by the size of the file.

The interactive commands of less (and more) are based on the vi editor, thus one can type f to move forward by a screenful (the space bar has the same effect) and b to move backward, while j and k move one line at a time. One can search for strings using /, search backward with ?, etc.

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.