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 19 2011

August 19, 2011 11:51 am EDT

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

ANNOUNCEMENTS

School Colloquium

August 25, 2011 4:00 PM – 5:00 PM
MoSE G011
Prof. Wendy Kelly, Georgia Tech
Unveiling and co-opting the thiostrepton biosynthetic machinery: How far can we go?

STATISTICS

GGATE

Uptime: 61 days
/home directory usage: 36% (7.0 TB available)
/backups directory usage: 84%

Utilization for period from: 07/19/2011 to: 08/18/2011

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: 26 days
/home directory usage: 77% (1.4 TB available)
/backups directory usage: 87%

LSF usage for Week 32 (8/8-8/14) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 147 146136 8% 994 76 1008
Hernandez 359 56693 3% 158 106 288
Sherrill 1963 673694 35% 343 1059 1420
Other 16 19528 1% 1221 53 744
Total 2485 896051 46% 361 857 1227

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

Most productive user of the Week: kennedy 358942.

EGATE

Uptime: 165 days
/theoryfs/common directory usage: 43% (384 GB available)
/theoryfs/ccmst directory usage: 95% (44 GB available)

LSF usage for Week 32 (8/8-8/14) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Hernandez 39 288716 19% 7403 25257 33051
Sherrill 693 1895334 125% 2735 3705 6473
Other 320 249850 17% 781 1305 2091
Total 1052 2433901 161% 2314 3774 6125

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

Most productive user of the Week: kennedy 1391265.

TIP OF THE WEEK

By Massimo

More Science Apps

Last week we talked about chemistry apps, here is a list of generally science-oriented apps for iPod Touch/iPhone/iPad:

  • Fractals: Fractile Plus is a nice fractal generator that allows zooming inside Mandelbrot and Julia sets.
  • Graphics: Quick Graphs plots 2D and 3D mathematical expressions, and has a lot of features.
  • NASA: who does not like pictures from space? With the NASA app one can keep track of all the NASA missions, and watch beautiful pictures and videos. Yes, there are plenty of images from the Hubble telescope.

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.