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 11 2011

February 11, 2011 4:31 pm EST

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

ANNOUNCEMENTS

Special Seminar

February 14, 2011 4:00 PM – 5:00 PM
MoSE G011
Dr. Kerri Pratt, Purdue University
Chemistry of atmospheric aerosols: Instrument development, aircraft measurements, and modeling

COPE Distinguished Lecture Series

February 18, 2011 4:00 PM – 5:00 PM
MoSE G011
Prof. Alan J. Heeger, University of California, Santa Barbara
2000 Nobel Laureate in Chemistry
Plastic Solar Cells: Self‐Assembly of Bulk Heterojunction Nano‐materials by Spontaneous Phase Separation

Reminder: Planned Power Outage Scheduled for 3/26-3/27 2011

The MS&E building will be without power during the week end of 03/26-03/27 2011. As consequence, the CCMST clusters venom, fgate and the new ggate cluster will all be powered down. Any job still running by the time of the shut down will be killed. The power outage will not affect egate.

If you are planning on launching large, non restartable jobs on the CCMST clusters that are expected to be still running at the time of the outage, you might want to wait to submit them after the power outage, or, if possible, submit them to egate.

For more information please contact Massimo (massimo.malagoli@chemistry.gatech.edu).

STATISTICS

FGATE

Uptime: 29 days
/home directory usage: 75% (1.5 TB available)
/backups directory usage: 79%

LSF usage for Week 5 (1/31-2/6) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 200 101509 5% 508 3184 3657
Hernandez 325 47563 2% 146 155 526
Sherrill 529 323805 17% 612 6157 6783
Other 146 287138 15% 1967 209 2224
Total 1200 760015 39% 633 3312 4013

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

Most productive user of the Week: espt 287138.

LSF usage for Month of January (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 673 874618 10% 1300 2259 3829
Hernandez 1899 482274 6% 254 138 514
Sherrill 294 657842 8% 2238 7118 9726
Other 594 1341931 16% 2259 140 2547
Total 3460 3356664 39% 970 1144 2291

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

EGATE

Uptime: 109 days
/theoryfs/common directory usage: 41% (394GB available)
/theoryfs/ccmst directory usage: 90% (91 GB available)

LSF usage for Week 5 (1/31-2/6) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 11 65861 4% 5987 71 6099
Hernandez 428 545220 36% 1274 998 2423
Sherrill 487 817233 54% 1678 8468 10165
Total 926 1428313 94% 1542 4916 6539

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

Most productive user of the Week: sahan 787015.

LSF usage for Month of January (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 49 278429 4% 5682 69 5788
Hernandez 569 606439 9% 1066 157 1532
Sherrill 10248 5534822 83% 540 2959 3504
Other 531 31484 0% 59 164 224
Total 11397 6451163 96% 566 2677 3262

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

TIP OF THE WEEK

By Massimo and John

Cyberduck

Cyberduck (cyberduck.ch) is an easy to use open source file transfer interface for Mac and Windows. Cyberduck has an intuitive interface, and supports a variety of protocols (FTP, SFTP (SSH), WebDAV, Google Docs, Amazon S3 and many others). It can be integrated with an external editor, allowing to edit remote files with your favorite editor. It is possible to manage several concurrent transfer session, stop and resume a transfer, synchronize folders, etc.

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.