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, November 12 2010

November 12, 2010 2:51 pm EST

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

ANNOUNCEMENTS

Special Seminar

Friday November 19 - MoSE 1201A 4:00 pm.
William R. Salaneck, Department of Physics Linköping University, Sweden:
Electronic Structure of Hybrid Interfaces in Organic Electronics

STATISTICS

FGATE

Uptime: 93 days
/home directory usage: 66% (2.0 TB available)
/backups directory usage: 100%

Avg Wait
LSF usage for Week 44 (11/1-11/7) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg Trnr.
Bredas 39 180366 9% 4625 748 6040
Hernandez 3958 210836 11% 53 225 282
Sherrill 288 331266 17% 1150 2626 3948
Other 3 74006 4% 24669 321 24321
Total 4288 796470 41% 186 391 598

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

Most productive user of the Week: sahan 283089.

EGATE

Uptime: 17 days
/theoryfs/common directory usage: 40% (404GB available)
/theoryfs/ccmst directory usage: 86% (127 GB available)

Avg Trnr.
LSF usage for Week 44 (11/1-11/7) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg Wait
Bredas 3 0 0% 0 284 284
Hernandez 1037 1174497 78% 1133 95 1238
Sherrill 412 900552 60% 2186 748 2957
Other 132 91010 6% 689 13 715
Total 1584 2166062 143% 1367 259 1640

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

Most productive user of the Week: atucker 1086393.

TIP OF THE WEEK

By Massimo

UNIX File Utilities

Here is a list of some Linux/UNIX command utilities for finding information about files:

  • The file command tells you what is the type of the file you are looking at (ASCII text, binary executable, directory, etc.)
  • The wc (word count) command displays the count of lines, words and characters in a file. To count only the lines, use wc -l, to count words wc -w and to count only characters wc -m. wc -c counts the bytes in a file.
  • The sort command sorts the lines of a text file. Type man sort to list the sorting options.

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.