CCMST Weekly News, September 10 2010

Center for Computational Molecular Science and Technology

1. Announcements2. New Software3. Statistics4. Tip of the Week
ANNOUNCEMENTS

New Postdoctoral Fellow
Welcome to Sukrit Mukhopadhyay, new postdoctoral researcher in the Brédas group. Sukrit is from west Bengal India and is receiving is Ph.D. in Solid State and Structural Chemistry from the Indian Institute of Science in Bangalore, India.

NEW SOFTWARE

AutoDock
AutoDock version 4.2 is now installed on Fgate. The executable is available under /share/apps/autodock-4.2/.

STATISTICS

FGATE
Uptime: 30 days/home directory usage: 72% (1.7 TB available)/backups directory usage: 84%
LSF usage for Week 35 (8/30-9/5) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg Wait Avg Trnr.
Bredas
72
176453
9%
2451
413
3077
Hernandez
2164
164404
8%
76
73
150
Sherrill
386
171251
9%
444
880
1331
Other
8
46028
2%
5753
0
5340
Total
2630
558137
29%
212
201
419
Note: percentages refer to the total CPU time available for the period.
Most productive user of the Week: kennedy 153374.
LSF usage for Month of August (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg Wait Avg Trnr.
Bredas
10329
894209
10%
87
24
120
Hernandez
4037
1804160
21%
447
30
492
Sherrill
784
295721
3%
377
515
1204
Other
38
129021
2%
3395
8
3169
Total
15188
3123481
36%
206
51
282
Note: percentages refer to the total CPU time available for the period.
EGATE
Uptime: 285 days/theoryfs/common directory usage: 36% (428GB available)/theoryfs/ccmst directory usage: 85% (134 GB available)
LSF usage for Week 35 (8/30-9/5) (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg Wait Avg Trnr.
Hernandez
593
228089
15%
385
59
455
Sherrill
263
69773
5%
265
94
365
Other
115
232627
15%
2023
0
2053
Total
971
530488
35%
546
61
620
Note: percentages refer to the total CPU time available for the period.
Most productive user of the Week: rnear 232627.
LSF usage for Month of August (times are in minutes)
GroupJobsTotal CPUAvg CPUAvg Wait Avg Trnr.
Hernandez
1356
744030
11%
549
32
595
Sherrill
442
180293
3%
408
590
1004
Other
554
1242295
19%
2242
70
2397
Total
2352
2166616
32%
921
146
1097
Note: percentages refer to the total CPU time available for the period.

TIP OF THE WEEK

By Thodoris and Massimo
Find
Find is an useful (if a little tricky) utility to search a file system for a specific file (or set of files). Used in its simplest form, find will display all files on a directory tree starting from the specified root point. For instance:
find ~ will display the complete file three of your home directory. You can search several directory trees at the same ...

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