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 5 2011

August 5, 2011 2:42 pm EDT

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

ANNOUNCEMENTS

CCMST/Physical Chemistry Joint Seminar

August 9, 2011 4:00 PM – 5:00 PM
MoSE 3201A
Prof. Laurent Bonnet, Universite Bordeaux
From semiclassical to classical reaction dynamics in a quantum spirit

STATISTICS

GGATE

Uptime: 48 days
/home directory usage: 36% (7.0 TB available)
/backups directory usage: 82%

Utilization for period from: 07/05/2011 to: 08/04/2011

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: 12 days
/home directory usage: 62% (2.2 TB available)
/backups directory usage: 95%

LSF usage for Week 30 (7/25-7/31) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 62 46867 2% 756 163 1086
Hernandez 137 297634 15% 2173 726 4075
Sherrill 1198 354348 18% 296 737 1126
Other 4 1 0% 0 0 3
Total 1401 698851 36% 499 708 1409

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

Most productive user of the Week: galen 224994.

EGATE

Uptime: 151 days
/theoryfs/common directory usage: 41% (391 GB available)
/theoryfs/ccmst directory usage: 95% (45 GB available)

LSF usage for Week 30 (7/25-7/31) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Hernandez 294 200699 13% 683 2169 2877
Sherrill 92 222739 15% 2421 12056 14502
Other 54 126169 8% 2336 10319 12673
Total 440 549606 36% 1249 5237 6510

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

Most productive user of the Week: galen 200699.

TIP OF THE WEEK

By Massimo

Qstat

Qstat is the Torque command used to display the status of the batch queue. Here are some of the most useful options of the qstat command. The full help for qstat is available on-line.

  • Used without any option, qstat prints a list of all the jobs (queued and running) for the current user.
  • To display the full status of a job:
    qstat -f jobid
    Where jobid is the ID number of the job of interest.
  • To use an alternative display format:
    qstat -a
  • To list the nodes allocated to a job:
    qstat -n -1

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.