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, July 30, 2010

July 30, 2010 4:48 pm EDT
1. Announcements
2. Statistics
3. Tip of the Week

ANNOUNCEMENTS

Summer Lecture Series in Electronic Structure Theory

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.

The series will continue next week with the following schedule:

  • August 3: Many-body Perturbation Theory (Marshall).

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

STATISTICS

FGATE

Uptime: 15 day
/home directory usage: 69% (1.9TB available)
/backups directory usage: 84%

LSF usage for Week 29 (7/19-7/25) (times are in minutes)
Group Jobs Total CPU Avg CPU Avg Wait Avg Trnr.
Bredas 139 252574 ( 13%) 1817 52 1810
Hernandez 72 22711 ( 1%) 315 21 358
Sherrill 39 114098 ( 6%) 2926 570 3592
Other 16 0 ( 0%) 0 0 0
Total 266 389382 ( 20%) 1464 116 1570

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

Most productive user of the Week: lyzhu 129007

EGATE

Uptime: 243 days
/theoryfs/common directory usage: 36% (427GB available)
/theoryfs/ccmst directory usage: 81% (171GB available)

LSF usage for Week 29 (7/19-7/25) (times are in minutes)
Group Jobs Total CPU Avg CPU Avg Wait Avg Trnr.
Hernandez 134 86210 ( 6%) 643 111 757
Sherrill 70 61788 ( 4%) 883 39 951
Other 288 693573 ( 46%) 2408 178 2608
Total 492 841571 ( 56%) 1711 140 1868

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

Most productive user of the Week: rnear 683218

TIP OF THE WEEK

By Massimo

Block Editing in Vim

One of the less known capabilities of vim, and a quite useful one, is block editing. In vim it is possible to select an rectangular block of text (with or without including beginning and end of lines) and do editing operation on it. At the end of the editing, the operation will be automatically repeated on each line of the block. This is very useful when operating on formatted files, for instance formatted input files.

To initiate block editing, move the cursor at the beginning of the block of text you want to edit, then type Cntrl-v to activate block editing. The line VISUAL BLOCK will appear on the status line of vim, indicating that block editing is active. Now, using the cursor movement commands (h,j,k,l, arrows, etc.), move horizontally and vertically to select the block of text. The selected text will be highlighted. Once you have selected the appropriate block of text start editing using one of the following commands:

  • I to insert text at the beginning of the block
  • A to append text at the end of the block
  • s to replace the block contents with some new text
  • (etc, there are many others command)
Once you are done entering text press Escape. At this point the command (insert, append, substitute, etc.) will be repeated for each line of the block.

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.