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 8 2011

July 8, 2011 5:50 pm EDT

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

ANNOUNCEMENTS

Thesis Defense

July 14, 2011 3:00 PM
MoSE 4202A
Mr. Edward Hohenstein, Thesis Defense
Implementation and Applications of Density Fitted Symmetry-Adapted Perturbation Theory

STATISTICS

GGATE

Uptime: 20 days
/home directory usage: 31% (7.6 TB available)
/backups directory usage: 75%

Utilization for period from: 06/07/2011 to: 07/07/2011

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: 33 days
/home directory usage: 60% (2.3 TB available)
/backups directory usage: 99%

LSF usage for Week 26 (6/27-7/3) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 18 830 0% 46 0 140
Hernandez 401 431415 22% 1076 111 1205
Sherrill 66 342767 18% 5193 1089 6741
Total 485 775012 40% 1598 240 1919

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

Most productive user of the Week: atucker 405367.

LSF usage for Month of June (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 501 146177 2% 292 39 1822
Hernandez 17570 1241794 15% 71 1616 1726
Sherrill 936 1095497 13% 1170 551 1975
Other 1 0 0% 0 0 1
Total 19008 2483470 30% 131 1522 1740

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

EGATE

Uptime: 123 days
/theoryfs/common directory usage: 40% (402 GB available)
/theoryfs/ccmst directory usage: 95% (50 GB available)

LSF usage for Week 26 (6/27-7/3) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Hernandez 196 984580 65% 5023 1552 6759
Sherrill 129 228347 15% 1770 1443 3233
Total 325 1212927 80% 3732 1509 5359

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

Most productive user of the Week: galen 762539.

LSF usage for Month of June (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 37 4416 0% 119 3 124
Hernandez 60166 2972790 46% 49 15587 35687
Sherrill 203 602396 9% 2967 771 3784
Other 528 21985 0% 42 23 79
Total 60934 3601512 56% 59 15394 35251

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

TIP OF THE WEEK

By Massimo

Vim File Explorer

Vim has a built in file explorer facility that is quite handy when one wants to edit multiple files in one session. The file explorer window is opened by the command

:Explore

note the capital E. This can be abbreviated to :Ex

Once in the explorer window, move the cursor over a file or directory name and press enter to open it. To return to the explorer window press Ctr-^.

It is also possible to "edit" a directory to explore it:

:e .

lists the files in the current directory.

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.