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Disk Usage | Queues | Current Jobs | Job History | Info | Accounts
|Grants
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My Students...
Disk Usage | Queues | Current Jobs | Job History | Info | Accounts
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System...
Disk Usage | Queues | Current Jobs | Job History | Documentation
Current Jobs
| |
Risk of Wasting CPU Resources |
Abbreviations
Efcy = Efficiency (%).
WT = Wall Time in seconds.
CT = CPU Time in seconds.
CU = CPUs Used.
RM = Requested Memory.
App = Application.
OD = Order of the Derivative.
|
|
Low
|
Greater than or equal to ideal target efcy.
|
|
Elevated
|
Met minimum target efcy (50%), but not ideal target efcy (75%).
|
|
High
|
Met the breakeven efcy, but has not met minimum target efcy(50%).
|
| Severe
|
Below breakeven efcy (1 / no. of cpus).
|
| None
|
A one CPU job.
|
| Unknown
|
A Mimosa job.
|
|
|
|
Jobs currently running at MCSR. Queued jobs excluded.
|
| Job Name |
Job ID |
System |
Efcy |
Start |
WT |
CT |
CU |
RM |
App |
Theoretical Method |
OD |
alpha |
beta |
basis | | C2IPN1ccsdnbig
| 21806
| redwood
| 17
| 2008-02-11
| 4394382
| 726486
| 1
| 1000mb
| Gaussian 03
| Coupled Cluster
| 2nd
| 28
| 28
| 203
| | C1IPN1ccsdbig4
| 23277
| redwood
| 13
| 2008-04-01
| 4394394
| 593076
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 1st
| 28
| 28
| 203
| | C2IPN3ccsdbigf
| 23317
| redwood
| 19
| 2008-04-01
| 4394401
| 850667
| 1
| 1200mb
| Gaussian 03
| Coupled Cluster
| 2nd
| 28
| 28
| 203
| | C2cisfox1ccsd6
| 24396
| redwood
| 16
| 2008-05-10
| 4394377
| 701730
| 1
| 850mb
| Gaussian 03
| Coupled Cluster
| 2nd
| 38
| 38
| 198
| | C2EGDN2ccsdf
| 25024
| redwood
| 17
| 2008-05-28
| 4394342
| 764710
| 1
| 1200mb
| Gaussian 03
| Coupled Cluster
| 2nd
| 39
| 39
| 204
| | C2EGDN3ccsdf
| 25142
| redwood
| 15
| 2008-06-02
| 4394262
| 660622
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 2nd
| 39
| 39
| 204
| | C1cpd9bccsdnt
| 25231
| redwood
| 29
| 2008-06-04
| 4394373
| 1256324
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 24
| 24
| 140
| | C2dadne3ccsd63
| 25276
| redwood
| 19
| 2008-06-05
| 4394329
| 840151
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 2nd
| 38
| 38
| 198
| | X2DIM_1
| 25582
| redwood
| 53
| 2008-06-16
| 4394635
| 2315814
| 1
| 3400mb
| Gaussian 03
| Exotic
| 2nd
| 242
| 242
| 1516
| | X2DIM_3_freq
| 25942
| redwood
| 29
| 2008-06-25
| 4394623
| 1286137
| 1
| 3400mb
| Gaussian 03
| Exotic
| 2nd
| 242
| 242
| 1516
| | X2DIM_4
| 25946
| redwood
| 38
| 2008-06-25
| 4394645
| 1663143
| 1
| 3400mb
| Gaussian 03
| Exotic
| 2nd
| 242
| 242
| 1516
| | C1PN3ccsdt
| 336
| mimosa
| -
| 2008-06-25
| 4108912
| 2071367
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 28
| 28
| 168
| | C1cpd9bccsdnt
| 335
| mimosa
| -
| 2008-06-25
| 4393095
| 1852111
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 24
| 24
| 140
| | DX3b2Rev
| 361
| mimosa
| -
| 2008-06-25
| 74860
| 68012
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | X1dApdG_c
| 1147
| mimosa
| -
| 2008-07-18
| 3568358
| 3350930
| 4
| 3276800kb
| Gaussian 03
| Exotic
| 1st
| 151
| 150
| 918
| | C1mod-nSnH2-R-
| 714
| mimosa
| -
| 2008-07-02
| 4393177
| 1411978
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 15
| 130
| | C1ccsdt-631Gdp
| 715
| mimosa
| -
| 2008-07-02
| 4393310
| 2548493
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 41
| 41
| 157
| | mpqc.8.pbs
| 759
| mimosa
| -
| 2008-07-03
| 694981
| 0
| 8
| 1024000kb
| Unknown
|
|
| -1
| -1
| -1
| | D1vp21
| 809
| mimosa
| -
| 2008-07-06
| 3626078
| 3597909
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 388
| 368
| 1260
| | C1MG-631
| 26098
| redwood
| 15
| 2008-06-28
| 4394398
| 668534
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 1st
| 41
| 41
| 193
| | X1dApdT_Du_w0
| 26321
| redwood
| 74
| 2008-07-09
| 915239
| 2697766
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| 290
| 290
| 1636
| | C2dadne3ccsd63
| 26469
| redwood
| 21
| 2008-07-14
| 3895057
| 819097
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 2nd
| 38
| 38
| 158
| | C1CCSDT-6311G
| 26189
| redwood
| 17
| 2008-07-01
| 4392694
| 766419
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 1st
| 41
| 41
| 234
| | X1GpC_w4a_BHH
| 26789
| redwood
| 72
| 2008-07-25
| 925398
| 2651508
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| 166
| 165
| 1004
| | X1TA_TA_w11B_a
| 26745
| redwood
| 78
| 2008-07-25
| 927163
| 2904643
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| 346
| 345
| 1944
| | D1dGpdC_W8raDi
| 26738
| redwood
| 77
| 2008-07-25
| 864631
| 2646962
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1ATAT_w11a
| 26740
| redwood
| 70
| 2008-07-25
| 905395
| 2530349
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| 1st
| 346
| 345
| 1944
| | D1dG_HpdCH
| 26744
| redwood
| 75
| 2008-07-25
| 941734
| 2817410
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| 1st
| 331
| 330
| 1850
| | D1ATAT_w11a1_d
| 26739
| redwood
| 80
| 2008-07-25
| 910159
| 2898540
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| 1st
| 346
| 345
| 1944
| | X1dCpdG_w8_BH
| 26741
| redwood
| 77
| 2008-07-25
| 897526
| 2757584
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| 330
| 330
| 1850
| | C2FreqFA1C
| 1462
| mimosa
| -
| 2008-07-25
| 2932474
| 1516785
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 2nd
| 24
| 24
| 150
| | X1dTpdC_c
| 1487
| mimosa
| -
| 2008-07-26
| 2810673
| 2509811
| 4
| 3276800kb
| Gaussian 03
| Exotic
| 1st
| 139
| 138
| 848
| | X1TA_TA_w11_BH
| 26890
| redwood
| 85
| 2008-07-29
| 843372
| 2865973
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| 345
| 345
| 1944
| | D2enolanh1
| 26921
| redwood
| 97
| 2008-07-30
| 2496140
| 2425187
| 1
| 1900mb
| Gaussian 03
| Density-Functional
| 2nd
| 68
| 68
| 392
| | D1enolw1an
| 26922
| redwood
| 97
| 2008-07-30
| 2466909
| 2394803
| 1
| 1900mb
| Gaussian 03
| Density-Functional
| 1st
| 73
| 73
| 421
| | NWmAmTr
| 1767
| mimosa
| -
| 2008-08-03
| 2132228
| 0
| 8
| 921600kb
| Unknown
|
|
| -1
| -1
| -1
| | D1dme4or2
| 1809
| mimosa
| -
| 2008-08-05
| 2025190
| 2023843
| 1
| 409600kb
| Gaussian 03
| Density-Functional
| 1st
| 71
| 71
| 283
| | D1Ag43sbkjc
| 27052
| redwood
| 42
| 2008-08-05
| 1618993
| 5430565
| 8
| 7168mb
| Gaussian 03
| Density-Functional
| 1st
| 409
| 408
| 1333
| | C1R-SNNH2-2df
| 27093
| redwood
| 16
| 2008-08-06
| 1885234
| 310076
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 15
| 130
| | X1CG_w4_BHH
| 27136
| redwood
| 66
| 2008-08-09
| 436194
| 1152488
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | D1Ag51d4hconv6
| 27139
| redwood
| 82
| 2008-08-10
| 1242145
| 8195019
| 8
| 7168mb
| Gaussian 03
| Density-Functional
| 1st
| 485
| 484
| 1122
| | C1mod-0-180-3d
| 27157
| redwood
| 39
| 2008-08-11
| 1450098
| 560005
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 155
| | C1mod-0-180-3d
| 27156
| redwood
| 31
| 2008-08-11
| 1450246
| 451679
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 145
| | NWGpG
| 2101
| mimosa
| -
| 2008-08-11
| 1437073
| 0
| 8
| 921600kb
| Unknown
|
|
| -1
| -1
| -1
| | NWApA
| 2100
| mimosa
| -
| 2008-08-11
| 1438047
| 0
| 8
| 921600kb
| Unknown
|
|
| -1
| -1
| -1
| | C1SNNH-rad-2df
| 2114
| mimosa
| -
| 2008-08-12
| 1392088
| 378924
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 15
| 125
| | C1Star-N-Cente
| 2113
| mimosa
| -
| 2008-08-12
| 1392259
| 482022
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 15
| 113
| | C1Star-S-Cente
| 2115
| mimosa
| -
| 2008-08-12
| 1392104
| 379376
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 15
| 125
| | C1Star-N-C-2df
| 2112
| mimosa
| -
| 2008-08-12
| 1392188
| 325428
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 15
| 125
| | C1stra-HNSN-2d
| 2116
| mimosa
| -
| 2008-08-12
| 1392025
| 397086
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 15
| 125
| | C1mod-snnh2-3d
| 27160
| redwood
| 27
| 2008-08-12
| 1390830
| 378549
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 145
| | C1Rmod-snnh2-t
| 27164
| redwood
| 27
| 2008-08-12
| 1389390
| 373609
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 15
| 127
| | D1M14PT-Topt
| 27173
| redwood
| 74
| 2008-08-12
| 1153484
| 3392791
| 4
| 3584mb
| Gaussian 03
| Density-Functional
| 1st
| 307
| 305
| 1148
| | C1Non-cyclic-3
| 2164
| mimosa
| -
| 2008-08-13
| 1296475
| 605637
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 145
| | C1ccsdt-ADZ-mg
| 2171
| mimosa
| -
| 2008-08-13
| 1292736
| 1292022
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 41
| 41
| 260
| | C1Non-c2-3df2p
| 27189
| redwood
| 27
| 2008-08-13
| 1295328
| 353211
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 155
| | C1ccsdt-MG-ADZ
| 27197
| redwood
| 14
| 2008-08-13
| 1293445
| 182282
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 1st
| 41
| 41
| 260
| | C1ccsdt-MG-pp6
| 27194
| redwood
| 28
| 2008-08-13
| 1293648
| 356929
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 1st
| 41
| 41
| 193
| | C1TZ-Non-C2
| 2180
| mimosa
| -
| 2008-08-13
| 1291171
| 464649
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 127
| | C12df-non-c2
| 2177
| mimosa
| -
| 2008-08-13
| 1291547
| 457260
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 130
| | X1Hans-3
| 2185
| mimosa
| -
| 2008-08-13
| 1199096
| 961168
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| 240
| 240
| 1021
| | C13df-non-c2
| 2178
| mimosa
| -
| 2008-08-13
| 1291439
| 596151
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 145
| | X1dTpdTr
| 2204
| mimosa
| -
| 2008-08-14
| 1226230
| 1147984
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 143
| 143
| 873
| | C1mod-nonC2-3d
| 27212
| redwood
| 27
| 2008-08-14
| 1226479
| 330870
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 155
| | D1Lin2a
| 2213
| mimosa
| -
| 2008-08-14
| 1201539
| 1200429
| 1
| 204800kb
| Gaussian 03
| Density-Functional
| 1st
| 93
| 93
| 676
| | C1cpd7cisaccsd
| 2218
| mimosa
| -
| 2008-08-14
| 1201093
| 684338
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 28
| 28
| 142
| | D1Lin2c
| 2215
| mimosa
| -
| 2008-08-14
| 1201571
| 1200592
| 1
| 204800kb
| Gaussian 03
| Density-Functional
| 1st
| 93
| 93
| 676
| | X1dApdT_c
| 2238
| mimosa
| -
| 2008-08-15
| 1093305
| 826448
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 145
| 144
| 886
| | C12df-NON-c2
| 2254
| mimosa
| -
| 2008-08-17
| 932777
| 430079
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 130
| | D1Ag24conv6
| 2273
| mimosa
| -
| 2008-08-18
| 851951
| 684669
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 228
| 228
| 528
| | D1p3ts_s_tol
| 2304
| mimosa
| -
| 2008-08-20
| 730527
| 610929
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 76
| 76
| 431
| | C1tet-rad-2d
| 2274
| mimosa
| -
| 2008-08-18
| 842657
| 272700
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 15
| 99
| | C1hsnn-2df
| 2275
| mimosa
| -
| 2008-08-18
| 841626
| 233427
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 15
| 125
| | C1stra-hnsn-2d
| 2276
| mimosa
| -
| 2008-08-18
| 841232
| 280458
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 15
| 125
| | X1GC_GC_BHHr
| 27323
| redwood
| 73
| 2008-08-18
| 839372
| 2441944
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| 136
| 136
| 842
| | X1dGpdC_W0BH
| 27324
| redwood
| 84
| 2008-08-18
| 246756
| 832662
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| 290
| 290
| 1626
| | X1l3a
| 2288
| mimosa
| -
| 2008-08-19
| 794983
| 638401
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| 80
| 79
| 430
| | D1Cys-SS-HB-mi
| 2293
| mimosa
| -
| 2008-08-19
| 785773
| 659098
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 85
| 85
| 716
| | DX1atz
| 27359
| redwood
| 94
| 2008-08-19
| 541769
| 4082118
| 8
| 6400mb
| Gaussian 03
| Density-Functional
| none
| 94
| 94
| 1840
| | PXbs_mp26_tcl1
| 27371
| redwood
| 48
| 2008-08-20
| 741244
| 718163
| 2
| 1900mb
| Gaussian 03
| Many-body Perturbative
| none
| 220
| 220
| 829
| | D1p3ts_sol
| 2303
| mimosa
| -
| 2008-08-20
| 732860
| 661709
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 56
| 56
| 309
| | X1l9b
| 2312
| mimosa
| -
| 2008-08-20
| 706239
| 674959
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| 76
| 76
| 428
| | X1Ag24pbe
| 2336
| mimosa
| -
| 2008-08-21
| 604584
| 550997
| 2
| 1843200kb
| Gaussian 03
| Exotic
| 1st
| 228
| 228
| 528
| | C13df2pd-non-c
| 2363
| mimosa
| -
| 2008-08-22
| 528286
| 251976
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 155
| | D1eto_cnbreak
| 27412
| redwood
| 98
| 2008-08-21
| 543312
| 533134
| 1
| 2000mb
| Gaussian 03
| Density-Functional
| 1st
| 84
| 84
| 477
| | C1M-trans-3df2
| 8073
| sweetgum
| 79
| 2008-08-23
| 435807
| 345745
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 145
| | D1c2_optall
| 27416
| redwood
| 73
| 2008-08-22
| 224579
| 326326
| 2
| 1900mb
| Gaussian 03
| Density-Functional
| 1st
| 154
| 154
| 414
| | D1tol_ts1
| 2357
| mimosa
| -
| 2008-08-22
| 530715
| 496028
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 76
| 76
| 431
| | D1tol_ts1_s
| 2358
| mimosa
| -
| 2008-08-22
| 530366
| 500697
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 76
| 76
| 431
| | D1V7H_1
| 2361
| mimosa
| -
| 2008-08-22
| 531255
| 459166
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 217
| 217
| 1380
| | C1mod-snnh2-2d
| 2364
| mimosa
| -
| 2008-08-22
| 527457
| 269224
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 130
| | C1mod-snn-h2-2
| 8069
| sweetgum
| 82
| 2008-08-22
| 528865
| 436270
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 130
| | C1mod-snnh2-3d
| 27425
| redwood
| 27
| 2008-08-22
| 525597
| 143207
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 145
| | C1mod-3df2pd-n
| 27423
| redwood
| 23
| 2008-08-22
| 526628
| 122621
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 155
| | C1mod-trans-3d
| 27426
| redwood
| 29
| 2008-08-22
| 478112
| 139981
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 155
| | C1M-SNHNH-3df
| 2386
| mimosa
| -
| 2008-08-23
| 433673
| 210778
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 145
| | X2as42pd22
| 27458
| redwood
| 100
| 2008-08-24
| 340804
| 339418
| 1
| 1900mb
| Gaussian 03
| Exotic
| 2nd
| 208
| 208
| 850
| | C2fq-M-trans-2
| 8074
| sweetgum
| 85
| 2008-08-23
| 435625
| 371509
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 2nd
| 16
| 16
| 140
| | C2fq-m-trans-3
| 8072
| sweetgum
| 83
| 2008-08-23
| 436371
| 360778
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 2nd
| 16
| 16
| 155
| | C2M-trans-SNHN
| 2385
| mimosa
| -
| 2008-08-23
| 434168
| 236951
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 2nd
| 16
| 16
| 130
| | D1V7H_1s
| 2398
| mimosa
| -
| 2008-08-25
| 274694
| 246636
| 4
| 3276800kb
| Gaussian 03
| Density-Functional
| 1st
| 217
| 217
| 631
| | C2fq-mod-0-180
| 2394
| mimosa
| -
| 2008-08-24
| 339519
| 138109
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 2nd
| 16
| 16
| 145
| | D1vp
| 2389
| mimosa
| -
| 2008-08-24
| 384935
| 380674
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 378
| 378
| 1260
| | D1lala
| 2391
| mimosa
| -
| 2008-08-24
| 379556
| 376943
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 378
| 378
| 1260
| | D1nn2
| 2388
| mimosa
| -
| 2008-08-24
| 385778
| 382986
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 504
| 504
| 1260
| | D1vp21
| 2390
| mimosa
| -
| 2008-08-24
| 380998
| 378368
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 388
| 368
| 1260
| | D1pcl5_4mol
| 8077
| sweetgum
| 96
| 2008-08-24
| 394336
| 1516236
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| 200
| 200
| 720
| | D1pcl5_4ion
| 8076
| sweetgum
| 98
| 2008-08-24
| 394463
| 1545779
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| 200
| 200
| 720
| | C13df2pd-non-C
| 2396
| mimosa
| -
| 2008-08-24
| 338252
| 161463
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 155
| | D1pcl5_8ion_r
| 8083
| sweetgum
| 97
| 2008-08-24
| 366209
| 1422540
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| 400
| 400
| 1440
| | D2da2omc13
| 2407
| mimosa
| -
| 2008-08-25
| 259573
| 259396
| 1
| 409600kb
| Gaussian 03
| Density-Functional
| 2nd
| 90
| 90
| 677
| | D1pcl5_8mol
| 8085
| sweetgum
| 98
| 2008-08-24
| 354583
| 1385748
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| 400
| 400
| 1440
| | D1pcl5_8ion2
| 8084
| sweetgum
| 90
| 2008-08-24
| 354756
| 1280737
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| 400
| 400
| 1440
| | D1nn3
| 2393
| mimosa
| -
| 2008-08-24
| 350517
| 343628
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 546
| 462
| 1260
| | D1x8i
| 8087
| sweetgum
| 96
| 2008-08-24
| 346607
| 1326500
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| 400
| 400
| 1440
| | X1dTpdA_c
| 2397
| mimosa
| -
| 2008-08-25
| 306503
| 294549
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 145
| 144
| 886
| | C2FreqFA1D
| 2413
| mimosa
| -
| 2008-08-26
| 179300
| 85775
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 2nd
| 24
| 24
| 150
| | HXpcl5_2mol_14
| 8108
| sweetgum
| 29
| 2008-08-25
| 304856
| 348336
| 4
| 1800mb
| Gaussian 03
| Hartree-Fock
| none
| 100
| 100
| 360
| | X1l12as
| 2400
| mimosa
| -
| 2008-08-25
| 273262
| 268689
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| 112
| 111
| 606
| | D1pbr5_2moln
| 8111
| sweetgum
| 97
| 2008-08-25
| 300923
| 1169205
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| 190
| 190
| 540
| | D1pbr5_2moln1
| 8112
| sweetgum
| 97
| 2008-08-25
| 299277
| 1166271
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| 136
| 136
| 432
| | D131rota
| 27487
| redwood
| 93
| 2008-08-26
| 35790
| 133783
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| 1st
| 79
| 79
| 648
| | X1l4a
| 2399
| mimosa
| -
| 2008-08-25
| 273585
| 164364
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| 93
| 92
| 511
| | X2l5a
| 27470
| redwood
| 79
| 2008-08-25
| 273946
| 434440
| 2
| 3000mb
| Gaussian 03
| Exotic
| 2nd
| 89
| 88
| 505
| | X1Me-Hans-1
| 2403
| mimosa
| -
| 2008-08-25
| 267007
| 236419
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| 169
| 169
| 557
| | D1dme4ags
| 2406
| mimosa
| -
| 2008-08-25
| 260335
| 260018
| 1
| 409600kb
| Gaussian 03
| Density-Functional
| 1st
| 111
| 111
| 202
| | D1dmee4ags
| 2411
| mimosa
| -
| 2008-08-26
| 217080
| 216835
| 1
| 409600kb
| Gaussian 03
| Density-Functional
| 1st
| 107
| 107
| 198
| | C1NH2-2df-3df-
| 8169
| sweetgum
| 68
| 2008-08-28
| 17578
| 11950
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| 5
| 4
| 54
| | P1MMG76-MP321d
| 27484
| redwood
| 48
| 2008-08-26
| 132864
| 253134
| 4
| 3584mb
| Gaussian 03
| Many-body Perturbative
| 1st
| 219
| 219
| 649
| | D130rota
| 27486
| redwood
| 93
| 2008-08-26
| 37856
| 141202
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| 1st
| 79
| 79
| 648
| | DX1albs
| 27489
| redwood
| 72
| 2008-08-26
| 99971
| 289875
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| 94
| 94
| 760
| | D15fb-or
| 27503
| redwood
| 62
| 2008-08-26
| 101852
| 252720
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| 207
| 207
| 898
| | D16-31+ssKeto9
| 27504
| redwood
| 76
| 2008-08-26
| 173123
| 262112
| 2
| 2000mb
| Gaussian 03
| Density-Functional
| 1st
| 74
| 74
| 440
| | D16-311GssEnol
| 8135
| sweetgum
| 99
| 2008-08-26
| 172902
| 340630
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| 74
| 74
| 432
| | D16-311GsEnol9
| 27507
| redwood
| 75
| 2008-08-26
| 171959
| 258906
| 2
| 2000mb
| Gaussian 03
| Density-Functional
| 1st
| 74
| 74
| 396
| | D16-31GsKeto9A
| 8136
| sweetgum
| 99
| 2008-08-26
| 171632
| 338159
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| 74
| 74
| 324
| | D16-31+ssEnol9
| 27510
| redwood
| 79
| 2008-08-26
| 60644
| 96220
| 2
| 2000mb
| Gaussian 03
| Density-Functional
| 1st
| 74
| 74
| 440
| | D1Ag24conv6
| 8142
| sweetgum
| 94
| 2008-08-26
| 157438
| 2373296
| 16
| 7200mb
| Gaussian 03
| Density-Functional
| 1st
| 228
| 228
| 528
| | C1M-SNHNH-3df2
| 2424
| mimosa
| -
| 2008-08-27
| 133985
| 72993
| 1
| 409600kb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 155
| | zmat.pbs
| 8
| redwood
| 12
| 2008-08-27
| 4082
| 490
| 1
| 1000mb
| Unknown
|
|
| -1
| -1
| -1
| | D132rota
| 27545
| redwood
| 92
| 2008-08-27
| 28617
| 105570
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| 1st
| 79
| 79
| 648
| | D1Ag35conv6
| 8146
| sweetgum
| 94
| 2008-08-27
| 94333
| 1419378
| 16
| 7200mb
| Gaussian 03
| Density-Functional
| 1st
| 333
| 332
| 770
| | D1dme-ag4
| 2430
| mimosa
| -
| 2008-08-27
| 91604
| 91428
| 1
| 409600kb
| Gaussian 03
| Density-Functional
| 1st
| 107
| 107
| 198
| | zmat.pbs
| 9
| redwood
| 7
| 2008-08-27
| 19340
| 1263
| 1
| 100mb
| Unknown
|
|
| -1
| -1
| -1
| | D16-31GsKeto7A
| 8150
| sweetgum
| 98
| 2008-08-27
| 88068
| 172521
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| 74
| 74
| 324
| | D16-31GsEnol7A
| 8149
| sweetgum
| 96
| 2008-08-27
| 88217
| 169430
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| 74
| 74
| 324
| | D16-31GKeto7Ac
| 8147
| sweetgum
| 92
| 2008-08-27
| 89345
| 165135
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| 74
| 74
| 204
| | D12tfa-pcmor
| 27555
| redwood
| 95
| 2008-08-27
| 75905
| 289051
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| 104
| 104
| 459
| | zmat.pbs
| 10
| redwood
| 5
| 2008-08-27
| 20728
| 954
| 1
| 1000mb
| Unknown
|
|
| -1
| -1
| -1
| | D1Tipt12d2d_1
| 2453
| mimosa
| -
| 2008-08-27
| 70050
| 61901
| 2
| 1024000kb
| Gaussian 03
| Density-Functional
| 1st
| 173
| 172
| 754
| | X1dApdC
| 2454
| mimosa
| -
| 2008-08-27
| 65971
| 62631
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 141
| 141
| 861
| | tune_molpro
| 2465
| mimosa
| -
| 2008-08-28
| 419
| 411
| 2
| 307200kb
| Unknown
|
|
| -1
| -1
| -1
| | CXmod-trans-SN
| 8155
| sweetgum
| 86
| 2008-08-27
| 55009
| 47569
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| 16
| 16
| 234
| | CXmod-non-c2-Q
| 8157
| sweetgum
| 87
| 2008-08-27
| 53485
| 46499
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| 16
| 16
| 234
| | D1dme-ag41
| 2455
| mimosa
| -
| 2008-08-28
| 43300
| 43237
| 1
| 409600kb
| Gaussian 03
| Density-Functional
| 1st
| 107
| 107
| 198
| | X2l12fc
| 2456
| mimosa
| -
| 2008-08-28
| 19047
| 18767
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 2nd
| 111
| 111
| 606
| | X1l4as
| 2457
| mimosa
| -
| 2008-08-28
| 18457
| 17819
| 2
| 1638400kb
| Gaussian 03
| Exotic
| 1st
| 93
| 92
| 511
| | X1l24s
| 27567
| redwood
| 71
| 2008-08-28
| 17020
| 24279
| 2
| 3000mb
| Gaussian 03
| Exotic
| 1st
| 51
| 51
| 302
| | X2l10an
| 27570
| redwood
| 86
| 2008-08-28
| 12872
| 22255
| 2
| 3000mb
| Gaussian 03
| Exotic
| 2nd
| 74
| 73
| 410
| | X1l12an1
| 27566
| redwood
| 94
| 2008-08-28
| 17620
| 32958
| 2
| 3000mb
| Gaussian 03
| Exotic
| 1st
| 112
| 111
| 606
| | H2Cd4Se6beta
| 2462
| mimosa
| -
| 2008-08-28
| 4775
| 4175
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| 2nd
| 42
| 42
| 120
| | D1conf1
| 27589
| redwood
| 86
| 2008-08-28
| 4510
| 61872
| 16
| 15000mb
| Gaussian 03
| Density-Functional
| 1st
| 148
| 148
| 1846
| | D1conf2
| 27590
| redwood
| 84
| 2008-08-28
| 4505
| 60562
| 16
| 15000mb
| Gaussian 03
| Density-Functional
| 1st
| 148
| 148
| 1846
|
|
