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, July 29 2011

July 29, 2011 11:58 pm EDT

1. Statistics
2. Tip of the Week

STATISTICS

GGATE

Uptime: 41 days
/home directory usage: 35% (7.3 TB available)
/backups directory usage: 80%

Utilization for period from: 06/28/2011 to: 07/28/2011

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: 5 days
/home directory usage: 61% (2.3 TB available)
/backups directory usage: 93%

LSF usage for Week 29 (7/18-7/24) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 75 59308 3% 791 0 839
Hernandez 114 312843 16% 2744 293 3135
Sherrill 72 132781 7% 1844 1316 3337
Total 261 504933 26% 1935 491 2531

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

Most productive user of the Week: atucker 261594.

EGATE

Uptime: 144 days
/theoryfs/common directory usage: 41% (393 GB available)
/theoryfs/ccmst directory usage: 95% (45 GB available)

LSF usage for Week 29 (7/18-7/24) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Hernandez 70 456938 30% 6528 19470 26285
Sherrill 85 435531 29% 5124 1831 7066
Other 204 493861 33% 2421 4310 6747
Total 359 1386330 92% 3862 6679 10633

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

Most productive user of the Week: rnear 493861.

TIP OF THE WEEK

By Massimo

Exporting Environment Variables to a Moab/Torque

When a batch job is executed under Moab/Torque, some variables of the shell environment executing the qsub command are exported to the job. By default the following environment variables are exported:

HOME, LANG, LOGNAME, PATH, MAIL, SHELL, and TZ.

Additional variables can be exported using options of the qsub command. To export all the environment variable to the job:

#PBS -V

To export only a select list of variables:

#PBS -v VARIABLE1=value1,VARIABLE2=value2,...

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.