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, August 20, 2010

August 20, 2010 5:39 pm EDT
1. Announcements
2. Statistics
3. Tip of the Week

ANNOUNCEMENTS

Summer Lecture Series in Electronic Structure Theory

NOTE: No lecture next week. The series will resume in September

The Summer Theory program will continue through August with a series of advanced lectures. Lectures will be on Thursdays in MSE 4202A from 2-3pm, starting from Thursday August 3. The new theory/computational graduate students, and anyone else who is interested are cordially invited to attend.

There will be no lecture next week. The series will continue next week with the following schedule:

  • Sept 2: Advanced SAPT (Hohenstein).

The complete schedule of the lectures can be found at http://vergil.chemistry.gatech.edu/opp/sched.html.

STATISTICS

FGATE

Uptime: 9 day
/home directory usage: 70% (1.8 TB available)
/backups directory usage: 84%

LSF usage for Week 32 (8/9-8/15) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas108823493312%216155369
Hernandez72330747916%4256470
Sherrill113349722%30936346
Other3258661%8622758441
Total192760325131%31392418

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

Most productive user of the Week: atucker 189655.

EGATE

Uptime: 264 days
/theoryfs/common directory usage: 36% (426GB available)
/theoryfs/ccmst directory usage: 84% (146 available)

LSF usage for Week 32 (8/9-8/15) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Hernandez40225611517%6370648
Sherrill21155101%73931373852
Other10121356614%21153062410
Total52448519132%9261851116

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

Most productive user of the Week: rnear 195306.

TIP OF THE WEEK

From www.vim.org

Converting tabs to spaces in Vim

To insert space characters whenever the tab key is pressed, set the expandtab option:

  • :set expandtab
With this option set, if you want to enter a real tab character use the Ctrl-V Tab key sequence.

To control the number of space characters that will be inserted when the tab key is pressed, set the tabstop option. For example, to insert 4 spaces for a tab, use:

  • :set tabstop=4
After the expandtab option is set, all the new tab characters entered will be changed to spaces. This will not affect the existing tab characters. To change all the existing tab characters to match the current tab settings, use:
  • :retab

To change the number of space characters inserted for indentation, use the shiftwidth option:

  • :set shiftwidth=4
For example, to get the following coding style,
  • No tabs in the source file
  • All tab characters are 4 space characters
use the following set of options:
  • :set tabstop=4
  • :set shiftwidth=4
  • :set expandtab

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.