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, December 3 2010

December 3, 2010 2:17 pm EST

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

ANNOUNCEMENTS

Organic/Materials Seminar Series

December 8, 2010 3:00 PM – 4:00 PM
MRDC Hightower Conference Room 4515
Prof. John Reynolds, University of Florida
Morphology Controlled Light Emission, Electrochromism and Photovoltaic Response from Conjugated Polymeric Materials

STATISTICS

FGATE

Uptime: 114 days
/home directory usage: 82% (1.1 TB available)
/backups directory usage: 100%

LSF usage for Week 46 (11/15-11/21) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 4 16900 1% 4225 482 4870
Hernandez 2180 251742 13% 115 385 506
Sherrill 417 148904 8% 357 322 813
Other 11 83980 4% 7635 0 7642
Total 2612 501525 26% 192 374 592

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

Most productive user of the Week: marshall 145901.

LSF usage for Week 47 (11/22-11/28) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Bredas 27 69184 4% 2562 104 2837
Hernandez 730 147082 8% 201 574 790
Sherrill 322 247826 13% 770 2772 3562
Other 3 37366 2% 12455 0 12460
Total 1082 501457 26% 463 1215 1699

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

Most productive user of the Week: marshall 207916.

EGATE

Uptime: 38 days
/theoryfs/common directory usage: 37% (420GB available)
/theoryfs/ccmst directory usage: 86% (125 GB available)

LSF usage for Week 46 (11/15-11/21) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Hernandez 17 27 0% 2 0 2
Sherrill 3020 912629 60% 302 999 1343
Other 107 196799 13% 1839 33 1903
Total 3144 1109455 73% 353 961 1355

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

Most productive user of the Week: loriab 616739.

LSF usage for Week 47 (11/22-11/28) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg WaitAvg Trnr.
Sherrill 1002 484909 32% 484 949 1439
Total 1002 484909 32% 484 949 1439

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

Most productive user of the Week: loriab 246968.

TIP OF THE WEEK

By Massimo

Passwordless Login Using SSH

Using the public key authentication feature of SSH, it is quite easy to setup a passwordless login to a remote host. This can be done in three easy steps:

  1. Create the SSH key. On your local machine, enter the command ssh-keygen. This command will create a new private/public key pair. The command will prompt you for a pass phrase. If you want to setup a passwordless login, just press enter for an empty pass phrase (press enter again to confirm the pass phrase).
  2. Copy the key to the remote host. This is done with the command ssh-copy-id. Say that you want to copy the key you just created to fgate: you can do that by entering ssh-copy-id mylogin@fgate.chemistry.gatech.edu (replace mylogin with your login name on fgate). The command will prompt you for your fgate password.
  3. You should be set. Try to login to the remote host now using SSH. You should be able to login without entering the password. Of course this will work only from your local machine, where you created the SSH key pair and the remote host. To enable the login to the remote host from a different machine, just repeat the above process on the new machine.

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.