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, September 9 2011

September 9, 2011 3:01 pm EDT

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

 

ANNOUNCEMENTS

School Colloquium

September 15, 2011 4:00 PM – 5:00 PM
MoSE G011
Prof. Ryan Bailey, University of Illinois
Silicon Photonics: A New Paradigm in Multiplexed Bioanalysis

STATISTICS

GGATE

Uptime: 83 days
/home directory usage: 41% (6.5 TB available)
/backups directory usage: 92%

Utilization for period from: 08/09/2011 to: 09/08/2011

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: 47 days
/home directory usage: 78% (1.3 TB available)
/backups directory usage: 86%

LSF usage for Week 35 (8/29-9/4) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 327 89548 5% 274 383 681
Hernandez 5 43 0% 9 0 302
Sherrill 3513 737455 38% 210 2122 2346
Other 7 6867 0% 981 1 984
Total 3852 833913 43% 216 1968 2199

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

Most productive user of the Week: parker 439585.

LSF usage for Month of August (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 604 357613 4% 592 190 788
Hernandez 549 1307305 15% 2381 1914 5033
Sherrill 9085 2403221 28% 265 1342 1685
Other 57 87091 1% 1528 67 878
Total 10295 4155267 48% 404 1298 1806

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

EGATE

Uptime: 15 days
/theoryfs/common directory usage: 44% (373 GB available)
/theoryfs/ccmst directory usage: 96% (42 GB available)

LSF usage for Week 35 (8/29-9/4) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Hernandez 7 102818 7% 14688 60314 89281
Other 27 24946 2% 924 0 927
Total 34 127764 8% 3758 12418 19117

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

Most productive user of the Week: galen 102818.

LSF usage for Month of August (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 94 3129 0% 33 0 34
Hernandez 326 497781 7% 1527 5377 6976
Sherrill 1975 4235074 63% 2144 3102 5331
Other 507 587746 9% 1159 824 2082
Total 2902 5323733 80% 1835 2859 4776

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

TIP OF THE WEEK

By Massimo

Google Reader Journal Subscription List

This is a rerun of a previous tip. A very easy and efficient way of keeping track of the literature is to use Google Reader to subscribe to the RSS feed of the journals you are interested in. You can then easily browse the new articles and, using the LibXGT web localizer, access and download the content. A subscription list for Theoretical/Computational Chemistry journals is accessible at the CCMST wiki. You can import this list on Google Reader (instructions at the wiki page), then customize it for your needs.

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.