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 17 2011

June 17, 2011 1:07 pm EDT

1. Statistics
2. Tip of the Week

STATISTICS

GGATE

Uptime: 11 days
/home directory usage: 26% (8.2 TB available)
/backup directory usage: 67%

Utilization for period from: 05/17/2011 to: 06/16/2011

Note: Full statistics for ggate are available online at: http://ggate.chemistry.gatech.edu:8080 (the link works only for the Gatech Chemistry network)

FGATE

Uptime: 11 days
/home directory usage: 61% (2.3 TB available)
/backups directory usage: 100%

LSF usage for Week 23 (6/6-6/12) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 136 14625 1% 108 14 149
Hernandez 423 145948 8% 345 13 448
Sherrill 284 90547 5% 319 29 440
Other 1 0 0% 0 0 1
Total 844 251119 13% 298 19 397

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

Most productive user of the Week: galen 145948.

EGATE

Uptime: 102 days
/theoryfs/common directory usage: 57% (285 GB available)
/theoryfs/ccmst directory usage: 95% (51 GB available)

LSF usage for Week 23 (6/6-6/12) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Hernandez 12662 850129 56% 67 28015 28093
Sherrill 52 111371 7% 2142 542 2713
Other 5 557 0% 111 0 155
Total 12719 962055 64% 76 27892 27979

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

Most productive user of the Week: galen 841811.

TIP OF THE WEEK

By Massimo

Advanced Tips for tcsh/csh

Here are some advanced usage tips for tcsh/csh users:

  • Auto whereis; on the command line. This tip avoids having to type whereis or which to find out which version of a command we are using. First one has to set a key binding for the normalize command:
    bindkey "^W" normalize-command
    This example uses ctrl-w, but you can chose any key you want. Now type your command and, with the cursor at the end of the command type the binding key (ctrl-w in our case). This will expand the command:
    mpirun
    /opt/lam/gnu/bin/mpirun
    This will expand aliases too.
  • Rmstar. Tcsh has a buil in variable , rmstar, that asks for confirmation when entering the rm * command. This avoids accidentally deleting all your files on the current directory. To activate it, place the line
    set rmstar
    in your .cshrc.

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.