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, February 25 2011

February 25, 2011 1:40 pm EST

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

ANNOUNCEMENTS

Vasser Wolley Seminar

March 3, 2011 4:00 PM – 5:00 PM
MoSE G011
Prof. Moungi Bawendi, Massachusetts Institute of Technology
Science and Technology of Semiconductor Quantum Dots: The Importance of Excitons

NOTE: Planned Power Outage Postponed

Please note that the power outage for the MS&E building, originally planned for March 26-27 2001 has been postponed until later in the spring semester. Date to be determined.

STATISTICS

FGATE

Uptime: 42 days
/home directory usage: 76% (1.4 TB available)
/backups directory usage: 84%

LSF usage for Week 7 (2/14-2/20) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 279 342117 18% 1226 750 1745
Hernandez 238 853511 44% 3586 682 4608
Sherrill 950 262513 14% 276 631 920
Total 1467 1458141 75% 994 662 1675

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

Most productive user of the Week: atucker 585650.

EGATE

Uptime: 122 days
/theoryfs/common directory usage: 41% (391GB available)
/theoryfs/ccmst directory usage: 91% (83 GB available)

LSF usage for Week 7 (2/14-2/20) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 1 25305 2% 25305 54 25569
Hernandez 305 709965 47% 2328 1003 3393
Sherrill 485 76286 5% 157 114 273
Other 23 90 0% 4 0 4
Total 814 811646 54% 997 444 1465

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

Most productive user of the Week: hagy 474413.

TIP OF THE WEEK

By Massimo and Thodoris

Working on Ggate: Submitting and Managing Jobs

Jobs on ggate are controlled by the PBS-Torque batch system, using the Moab workload manager. Both Torque and Moab commands can be used to manage jobs. Here is a list of the most useful commands (note that Torque and Moab commands do not have the same functionality):

  • Submit a job: qsub <jobscript> or msub <jobscript>.
  • Delete a job: qdel <jobid>; or mjobctl -c <jobid>.
  • Monitor jobs: qstat or showq.
  • Show detailed info about a specific job: qstat <jobid> or checkjob <jobid>.
  • Hold a job: qhold <jobid> or mjobctl -h <jobid>.
  • Release a job: qrls <jobid> or mjobctl -u <jobid>
  • Show information about resource availability: showbf.

The complete list of commands can be found at the Adaptive Computing web site for Torque and Moab.

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.