0. Performance
0.1 Record Count
1. File Statistics
1.1 Number of file accessed by each rank
2. Function Statistics
2.1 I/O Layers
2.2 POSIX I/O Patterns
2.3 Function count
2.4 Seconds spent on each function
3. Access Patterns
3.1 Overall I/O activities
3.2 Accessed offsets VS ranks
3.3 Accessed offsets VS time
3.4 File access patterns
Filename
RAR(Same Rank)
RAW(Same Rank)
WAW(Same Rank)
WAR(Same Rank)
RAR(Different Rank)
RAW(Different Rank)
WAW(Different Rank)
WAR(Different Rank)
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.61
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.b
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.c
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.tst
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.29
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.19
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.13
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.12
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.11
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.10
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.17
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.16
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.15
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.14
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.31
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.30
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.33
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.32
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.35
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.34
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.p
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.36
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.18
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.59
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.58
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.57
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.56
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.55
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.54
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.53
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.52
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.51
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.50
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.46
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.prp
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.zmat
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.27
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.26
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.movecs
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.db.tmp
1
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.b^-1
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.trj
0
0
2
0
0
0
0
0
/g/g90/wang116/softwares/nwchem-6.8.1/src/basis/libraries/sto-3g
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.00
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.01
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.02
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.03
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.04
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.05
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.06
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.07
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.08
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.09
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.24
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.25
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.22
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.23
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.20
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.21
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.39
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.out
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.48
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.49
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.38
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.44
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.db
728
673
410
123
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.nw
6
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.47
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.40
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.41
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.42
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.43
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.63
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.62
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.45
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.37
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.28
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.60
0
0
0
0
0
0
0
0
/p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.cfock
0
0
0
0
0
0
0
0
4. Count of I/O access sizes
4.1 Read
4.2 Write
2.1 I/O Layers
2.2 POSIX I/O Patterns
| Filename | RAR(Same Rank) | RAW(Same Rank) | WAW(Same Rank) | WAR(Same Rank) | RAR(Different Rank) | RAW(Different Rank) | WAW(Different Rank) | WAR(Different Rank) |
|---|---|---|---|---|---|---|---|---|
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.61 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.b | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.c | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.tst | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.29 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.19 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.13 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.12 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.11 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.10 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.17 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.16 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.15 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.14 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.31 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.30 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.33 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.32 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.35 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.34 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.p | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.36 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.18 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.59 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.58 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.57 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.56 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.55 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.54 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.53 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.52 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.51 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.46 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.prp | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.zmat | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.27 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.26 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.movecs | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.db.tmp | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.b^-1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.trj | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 |
| /g/g90/wang116/softwares/nwchem-6.8.1/src/basis/libraries/sto-3g | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.00 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.03 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.04 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.05 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.06 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.07 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.08 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.09 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.24 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.22 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.23 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.20 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.21 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.39 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.out | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.48 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.49 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.38 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.44 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.db | 728 | 673 | 410 | 123 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.nw | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.47 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.40 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.41 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.42 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.43 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.63 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.62 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.45 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.37 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.28 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.junk.60 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| /p/lustre2/wang116/applications/nwchem-6.8.1/h2o_scf/h2o_scf.cfock | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |