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, September 24 2010

September 24, 2010 3:41 pm EDT

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

ANNOUNCEMENTS

Special Seminar

September 28, 2010 4:00 PM – 5:00 PM MoSE G011
Prof. John Reynolds, University of Florida
Π-Conjugated Polymers: Pushing the Limits Using Chemistry

STATISTICS

FGATE

Uptime: 44 days
/home directory usage: 74% (1.6 TB available)
/backups directory usage: 82%

LSF usage for Week 37 (9/13-9/19) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 41 185066 10% 4514 1848 6527
Hernandez 1963 257569 13% 131 76 207
Sherrill 389 388540 20% 999 4918 5915
Other 9 9882 1% 1098 279 1376
Total 2402 841057 43% 350 891 1244

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

Most productive user of the Week: kennedy 308316.

EGATE

Uptime: 299 days
/theoryfs/common directory usage: 36% (428GB available)
/theoryfs/ccmst directory usage: 85% (134 GB available)

LSF usage for Week 37 (9/13-9/19) (times are in minutes)
GroupJobs Total CPUAvg CPUAvg WaitAvg Trnr.
Sherrill 575 648514 43% 1128 594 1750
Other 70 43555 3% 622 330 1056
Total 645 692068 46% 1073 565 1675

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

Most productive user of the Week: kennedy 354837.

TIP OF THE WEEK

By Massimo

Aliases

When using the command line prompt, we all get bored by having to retype the same command over and over. Not to mention that the more you type, the more typos you make. Using aliases is a nice way of cutting down on typing.

An alias is basically a shortcut for a command that is usually placed on a configuration file (.bashrc or .cshrc). The syntax of the alias command is:

  • alias nickname='long and boring command' for bash and
  • alias nickname 'long and boring command' for csh/tcsh.

A prime target for aliases are the ssh commands, specially if the remote user name is different from the local one, and if the host name is long. For instance, to quickly login to fgate and egate one could setup the following aliases:

  • alias fgate='ssh mylogin@fgate.chemistry.gatech.edu'
  • alias egate='ssh mylogin@egate.chemistry.gatech.edu'

Some useful aliases:

  • alias ll='ls -l' (this is already a default in many command shells)
  • alias la='ls -a'
  • alias rm='rm -i' (this is a safety net, as it forces you to confirm the deletion of a file)
  • alias df='df -h' (this will display the disk usage information in more readable units).

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.