CCMST Weekly News, August 27 2010

Center for Computational Molecular Science and Technology

1. Announcements2. Statistics3. Tip of the Week

ANNOUNCEMENTS

New CCMST Web Site
The new version of the CCMST web site is now on-line. Please check out www.ccmst.gatech.edu and explore it. Now the CCMST weekly news are posted to the web site, and you can subscribe to the RSS feed to make sure you do not miss any CCMST new and announcements. Please contact me (massimo.malagoli@chemistry.gatech.edu) if you have any comments and suggestions about the CCMST web pages.

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 Thursday in MSE 4202A from 2-3pm. 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:
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: 16 days/home directory usage: 70% (1.8 TB available)/backups directory usage: 82%
LSF usage for Week 33 (8/16-8/22) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas
509
170443
9%
335
8
596
Hernandez
753
572929
30%
761
126
910
Sherrill
95
112283
6%
1182
3799
6268
Other
1
0
0%
0
0
0
Total
1358
855656
44%
630
338
1166

Note: percentages refer to the total CPU time available for the period.
Most productive user of the Week: atucker 491069.
EGATE
Uptime: 271 days/theoryfs/common directory usage: 36% (429GB available)/theoryfs/ccmst directory usage: 84% (143GB available)
LSF usage for Week 33 (8/16-8/22) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Hernandez
278
91952
6%
331
67
409
Sherrill
2
7
0%
4
0
4
Other
112
266436
18%
2379
56
2447
Total
392
358395
24%
914
63
989
Note: percentages refer to the total CPU time available for the period.
Most productive user of the Week: rnear 230248.

TIP OF THE WEEK

By Thodoris and Massimo
Shell History and Command Recall
One of the best features of command shells (both csh and bash) is the possibility of recalling previous commands and re executing them, perhaps slightly modified. Here are some useful tips ...

Read More