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, May 20 2011

May 20, 2011 2:05 pm EDT

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

ANNOUNCEMENTS

COPE Seminar Series

May 26, 2011 4:00 PM – 5:00 PM
MoSE G011
Prof. Jason Locklin, UGA
Making Surfaces Smart

Scheduled Power Outage, June 4 2011

Please note that there is a scheduled power outage for the MoSE Building scheduled for Saturday, June 4 2001. This power outage will affect the CCMST clusters fgate and ggate. Both clusters will have to be shut down and powered off. All jobs running will be killed. Please plan accordingly.

Please contact Massimo (massimo.malagoli@chemistry.gatech.edu) if you have any question.

STATISTICS

GGATE

Uptime: 21 days
/home directory usage: 21% (8.7 TB available)
/backups directory usage: 62%

Utilization for period from: 04/19/2011 to: 05/19/2011

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: 126 days
/home directory usage: 79% (1.2 TB available)
/backups directory usage: 100%

LSF usage for Week 19 (5/9-5/15) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 43 1151 0% 27 1 49
Hernandez 85 45203 2% 532 308 915
Sherrill 223 63525 3% 285 118 438
Other 7 94055 5% 13436 0 5267
Total 358 203934 11% 570 147 599

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

Most productive user of the Week: cenekwa 94055.

EGATE

Uptime: 74 days
/theoryfs/common directory usage: 86% (99 GB available)
/theoryfs/ccmst directory usage: 93% (66 GB available)

LSF usage for Week 19 (5/9-5/15) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Hernandez 9 4304 0% 478 0 489
Sherrill 22 4673 0% 212 0 515
Other 60 154395 10% 2573 0 2581
Total 91 163372 11% 1795 0 1875

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

Most productive user of the Week: rnear 154395.

TIP OF THE WEEK

By Massimo

Working on Ggate: "showbf" and "showstart"

The Moab commands showbf and showstart can be used to get an idea of the current resource availability, or the estimated start time for a job.

showbf prints out the resources immediately available, for instance

# showbf
Partition Tasks Nodes Duration StartOffset StartDate
--------- ----- ----- ------------ ------------ --------------
ALL 28 8 INFINITY 00:00:00 14:51:07_05/20

The above output tells that there are 28 processors over 8 nodes available without time limit.

showstart prints the estimated start time for a job. When given as argument the jobid of a job currently in queue, it will print out the estimated start time for that job:

#  showstart 14270
job 14270 requires 2 procs for 16:00:00:00

Estimated Rsv based start in 00:00:00 on Fri May 20 15:01:47
Estimated Rsv based completion in 16:00:00:00 on Sun Jun 5 15:01:47

alternatively, one can give to showstart a job specification in the form proccount@duration. For instance, to receive an estimate for the starting time of a job requesting 64 processor for one hour:

#  showstart 64@3600
job 64@3600 requires 64 procs for 1:00:00

Estimated Rsv based start in 13:19:46:53 on Fri Jun 3 10:53:59
Estimated Rsv based completion in 13:20:46:53 on Fri Jun 3 11:53:59

Best Partition: greengate

For more information about these commands, consult the manual pages on ggate eg: man showbf, man showstat.

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.