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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 | | zmat.pbs
| 9
| redwood
| 7
| 2008-08-27
| 19340
| 1263
| 1
| 100mb
| Unknown
|
|
| -1
| -1
| -1
| | C1cpd3cis3tz
| 35540
| redwood
| 98
| 2009-07-24
| 2843891
| 2793219
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 148
| | C1cpd4trans1tz
| 35837
| redwood
| 99
| 2009-08-03
| 2843841
| 2804750
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 148
| | C1cpd2cis1tz
| 36201
| redwood
| 98
| 2009-08-17
| 2843852
| 2798545
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 148
| | C1cpd5trans1tz
| 36686
| redwood
| 99
| 2009-09-11
| 2843850
| 2803899
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 148
| | D2Ag30ADFfreq
| 13288
| sweetgum
| 92
| 2009-09-14
| 1492089
| 5510982
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 2nd
| 285
| 285
| 660
| | M6GpCa_M6_DZP
| 37561
| redwood
| 81
| 2009-10-07
| 1061951
| 3442885
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 146
| 145
| 880
| | C2cpd1ccsdtf
| 37592
| redwood
| 96
| 2009-10-07
| 2843921
| 2744368
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 2nd
| 25
| 25
| 161
| | X1dGpdGPCM_M5
| 20540
| mimosa
| -
| 2009-10-10
| 3624115
| 3334558
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 155
| 155
| 937
| | X1dCpdGra_M5
| 20537
| mimosa
| -
| 2009-10-10
| 3624258
| 3191209
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 146
| 145
| 880
| | D1flc6
| 20628
| mimosa
| -
| 2009-10-12
| 3428390
| 2397537
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 155
| 154
| 991
| | D1nac8
| 20621
| mimosa
| -
| 2009-10-12
| 3435746
| 2622128
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 206
| 205
| 1319
| | D1nna+c8
| 20622
| mimosa
| -
| 2009-10-12
| 3435765
| 2365605
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 205
| 204
| 1315
| | D1lic8
| 20618
| mimosa
| -
| 2009-10-12
| 3435991
| 2643639
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 202
| 201
| 1315
| | M6AApTT_AM6
| 37874
| redwood
| 81
| 2009-10-20
| 521225
| 1693869
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 290
| 290
| 1636
| | M6dGpdC_W8_Sym
| 37876
| redwood
| 86
| 2009-10-20
| 399639
| 1376811
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 330
| 330
| 1850
| | X2dTLdTa_M05x3
| 21006
| mimosa
| -
| 2009-10-22
| 2587747
| 2162870
| 2
| 819200kb
| Gaussian 03
| Exotic
| 2nd
| 144
| 143
| 805
| | M6GGpCC_AM6
| 37960
| redwood
| 78
| 2009-10-24
| 493897
| 1547163
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 290
| 290
| 1626
| | C2cpd6atztight
| 38012
| redwood
| 98
| 2009-10-25
| 2325130
| 2288551
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 2nd
| 16
| 16
| 148
| | X1AA_TTa_M52X
| 21397
| mimosa
| -
| 2009-10-28
| 2071517
| 1607579
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 153
| 152
| 906
| | X1dTCdTa_M5
| 22103
| mimosa
| -
| 2009-11-06
| 1296205
| 1012392
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 132
| 131
| 770
| | D1EN5acid
| 21497
| mimosa
| -
| 2009-10-29
| 1972298
| 187
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | DXdGpdC_W8_IP_
| 38138
| redwood
| 98
| 2009-10-30
| 573655
| 2258247
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| 330
| 329
| 2008
| | C1cpd3trans1tz
| 38153
| redwood
| 98
| 2009-11-01
| 1716155
| 1684483
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 148
| | M6GCGa_M6
| 38162
| redwood
| 90
| 2009-11-01
| 516977
| 1870905
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 231
| 230
| 1378
| | M6dCpdGa_W8_M6
| 38161
| redwood
| 86
| 2009-11-01
| 375073
| 1283831
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 331
| 330
| 1850
| | M6GpC_M6_DZP
| 38212
| redwood
| 81
| 2009-11-02
| 489376
| 1584046
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 145
| 145
| 880
| | DXdGpdC_W8_ani
| 38207
| redwood
| 99
| 2009-11-02
| 529643
| 2098463
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| 331
| 330
| 2008
| | M6CpG_M6x
| 38216
| redwood
| 78
| 2009-11-02
| 362325
| 1134551
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 165
| 165
| 925
| | M6BB1B_bh
| 38251
| redwood
| 82
| 2009-11-03
| 604202
| 1990083
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | M6AApTT_M6
| 38255
| redwood
| 75
| 2009-11-03
| 502040
| 1507095
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 290
| 290
| 1636
| | MMAg66HwB97Sb
| 38267
| redwood
| 99
| 2009-11-03
| 1032423
| 4083990
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 627
| 627
| 2046
| | M6BBB_M6
| 38275
| redwood
| 82
| 2009-11-03
| 411949
| 1357409
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | FMAg60HHfccD3d
| 38287
| redwood
| 69
| 2009-11-03
| 1101565
| 3034862
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| 570
| 570
| 2280
| | M6dGpdCa_W8_M6
| 38298
| redwood
| 89
| 2009-11-04
| 355369
| 1265423
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 331
| 330
| 1850
| | M6BB1B1_M6T
| 38351
| redwood
| 89
| 2009-11-05
| 342806
| 1222893
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 192
| 190
| 1146
| | X1dGpdGa_M5_DZ
| 22289
| mimosa
| -
| 2009-11-09
| 999627
| 771085
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 156
| 155
| 937
| | M6BB1B_TM6
| 9949
| sequoia
| 100
| 2009-11-05
| 1077671
| 4307838
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | P1MP2opt
| 22080
| mimosa
| -
| 2009-11-05
| 1348497
| 1305692
| 2
| 1638400kb
| Gaussian 03
| Many-body Perturbative
| 1st
| 74
| 74
| 404
| | D1newref
| 9974
| sequoia
| 100
| 2009-11-05
| 1026279
| 4104955
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | D1newref
| 9973
| sequoia
| 100
| 2009-11-05
| 1030496
| 4118507
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | C14568cco1
| 22104
| mimosa
| -
| 2009-11-06
| 1292531
| 258905
| 2
| 819200kb
| Gaussian 03
| Coupled Cluster
| 1st
| 31
| 31
| 126
| | G6dftaugccpvtz
| 38385
| redwood
| 80
| 2009-11-06
| 542107
| 1724291
| 4
| 3500mb
| Gaussian 09
| Density-Functional
|
| 59
| 59
| 1035
| | M6BB1B_TM6
| 38400
| redwood
| 85
| 2009-11-06
| 589514
| 2008052
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 192
| 190
| 1146
| | M6BBB1_TM6
| 38399
| redwood
| 85
| 2009-11-06
| 711981
| 2412389
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 192
| 190
| 1146
| | M6TTpAAa_AM6
| 9998
| sequoia
| 100
| 2009-11-08
| 940967
| 3762508
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | X2dApdA_M5
| 22191
| mimosa
| -
| 2009-11-07
| 1165679
| 1052265
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 2nd
| 147
| 147
| 831
| | M6AT_ds_dry_co
| 10001
| sequoia
| 100
| 2009-11-08
| 917479
| 3668737
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6AT_ds_dry_M6
| 10000
| sequoia
| 100
| 2009-11-08
| 920237
| 3679606
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6TTpAAa_M6
| 9999
| sequoia
| 100
| 2009-11-08
| 937159
| 3744482
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6CG_ds_31_w8_
| 10002
| sequoia
| 100
| 2009-11-08
| 913425
| 3652538
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6TTpAA_AM6_a
| 10008
| sequoia
| 100
| 2009-11-08
| 884048
| 3535009
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6dGpdCa_W8_rM
| 10006
| sequoia
| 100
| 2009-11-08
| 894422
| 3576537
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6bBB1B_M6
| 10009
| sequoia
| 100
| 2009-11-08
| 863058
| 3449277
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6dGpdCa_W8_M6
| 10005
| sequoia
| 100
| 2009-11-08
| 897581
| 3589221
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6dGpdGa_DZPM6
| 10024
| sequoia
| 100
| 2009-11-09
| 824192
| 3295742
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6dGpdGa_PCM_D
| 10025
| sequoia
| 100
| 2009-11-09
| 822203
| 3288135
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6CG_dry_AM6
| 10023
| sequoia
| 100
| 2009-11-09
| 837873
| 3350188
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6dGapdG_PCM_D
| 10022
| sequoia
| 100
| 2009-11-09
| 838558
| 3353334
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6bBB1B_TM6
| 10032
| sequoia
| 100
| 2009-11-09
| 741655
| 2964585
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6bBB1B1_TM6
| 10027
| sequoia
| 100
| 2009-11-09
| 788620
| 3152245
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6bBB1B_M6
| 10031
| sequoia
| 100
| 2009-11-09
| 750753
| 3000018
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6bBB1B_M6
| 38456
| redwood
| 81
| 2009-11-09
| 788716
| 2540568
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | D2H8LIodifnfrq
| 38459
| redwood
| 77
| 2009-11-09
| 1025948
| 3178654
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 2nd
| 170
| 170
| 1326
| | M6bBB1B_TM6
| 38457
| redwood
| 86
| 2009-11-09
| 764513
| 2621012
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 192
| 190
| 1146
| | D1as23b-cf3
| 22261
| mimosa
| -
| 2009-11-09
| 1022816
| 943696
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 245
| 245
| 985
| | D1as23b-cl-coo
| 22258
| mimosa
| -
| 2009-11-09
| 1023297
| 845200
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 244
| 244
| 973
| | C1cpd2ccsdt
| 38462
| redwood
| 97
| 2009-11-09
| 1019790
| 988265
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 25
| 25
| 161
| | D2H8LSO4odiffr
| 38463
| redwood
| 77
| 2009-11-09
| 764665
| 2343761
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 2nd
| 191
| 191
| 1436
| | C1cpd1trans1tz
| 38467
| redwood
| 99
| 2009-11-09
| 1019785
| 1010593
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 148
| | D2H8LBrodiffrq
| 38460
| redwood
| 74
| 2009-11-09
| 1025874
| 3045536
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 2nd
| 184
| 184
| 1366
| | M6bBBB_M6
| 38468
| redwood
| 84
| 2009-11-09
| 637673
| 2145235
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | M6GC_ds_AM6r
| 10039
| sequoia
| 100
| 2009-11-09
| 729034
| 2915140
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6GCG_M6
| 10043
| sequoia
| 100
| 2009-11-09
| 657372
| 2629025
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6GCGa_M6
| 10042
| sequoia
| 100
| 2009-11-09
| 667334
| 2668455
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | D2H8L3NO3-mod-
| 38477
| redwood
| 77
| 2009-11-09
| 991028
| 3041149
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 2nd
| 182
| 182
| 1406
| | M6GGpCCa_M6
| 10059
| sequoia
| 100
| 2009-11-10
| 591815
| 2366365
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6TA_ds_conM6
| 10060
| sequoia
| 100
| 2009-11-11
| 588007
| 2351195
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | GMk01lbs
| 10066
| sequoia
| 100
| 2009-11-11
| 557809
| 2230439
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | GMk03lbs
| 10067
| sequoia
| 100
| 2009-11-11
| 536037
| 2143465
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | GMk02lbs
| 10065
| sequoia
| 100
| 2009-11-11
| 567218
| 2268113
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | X1dGpdGa_M5
| 22377
| mimosa
| -
| 2009-11-11
| 856103
| 840149
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 156
| 155
| 937
| | C2cpd3cis1tzf
| 38529
| redwood
| 92
| 2009-11-11
| 851905
| 785682
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 2nd
| 16
| 16
| 148
| | X1TA_ds_conM5
| 10069
| sequoia
| 100
| 2009-11-11
| 516074
| 2059901
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | X1GGpCC_AM5
| 10070
| sequoia
| 100
| 2009-11-11
| 474143
| 1892903
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | G6k01-09
| 10071
| sequoia
| 100
| 2009-11-11
| 456632
| 1825581
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | GMk14lbs-09
| 10073
| sequoia
| 100
| 2009-11-11
| 445117
| 1779844
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | G6k08-09
| 10075
| sequoia
| 100
| 2009-11-11
| 436840
| 1746408
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | G6k02-09
| 10072
| sequoia
| 100
| 2009-11-11
| 449170
| 1795593
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | GMk04lbs-09
| 22396
| mimosa
| -
| 2009-11-11
| 840770
| 840096
| 1
| 409600kb
| Gaussian 09
| Density-Functional
|
| 149
| 149
| 1154
| | X1dTLdTa_M05x3
| 22449
| mimosa
| -
| 2009-11-12
| 758156
| 410695
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | X1dTLdTa_M05x3
| 22478
| mimosa
| -
| 2009-11-13
| 592856
| 506903
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | D1Opt7NR-2AP
| 38590
| redwood
| 80
| 2009-11-13
| 632533
| 1007335
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 34
| 670
| | X1GCGa_M5X_DZP
| 10092
| sequoia
| 100
| 2009-11-13
| 397265
| 1587674
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | X1dTLdTa_TS_M5
| 10128
| sequoia
| 100
| 2009-11-13
| 195012
| 776392
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | FMAg35hfocksbk
| 10117
| sequoia
| 100
| 2009-11-13
| 260926
| 1043691
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| -1
| -1
| -1
| | FMAg35F17
| 10120
| sequoia
| 100
| 2009-11-13
| 220966
| 883756
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| -1
| -1
| -1
| | FMAg35F16
| 10119
| sequoia
| 100
| 2009-11-13
| 231393
| 925432
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| -1
| -1
| -1
| | FMAg35F25
| 10127
| sequoia
| 100
| 2009-11-13
| 29502
| 117992
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| -1
| -1
| -1
| | FMAg35F23
| 10125
| sequoia
| 100
| 2009-11-13
| 89098
| 356312
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| -1
| -1
| -1
| | FMAg35F24
| 10126
| sequoia
| 100
| 2009-11-13
| 35146
| 140560
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| -1
| -1
| -1
| | X1dTLdTM5_TSR
| 22506
| mimosa
| -
| 2009-11-13
| 648264
| 368863
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | D2H8LCl-H8Clod
| 38611
| redwood
| 83
| 2009-11-13
| 640093
| 1061352
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 2nd
| 166
| 166
| 1262
| | D2H8LCl-H8Clod
| 38610
| redwood
| 77
| 2009-11-13
| 609311
| 1882282
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 2nd
| 166
| 166
| 1262
| | M6BBB1_Tm6
| 10132
| sequoia
| 100
| 2009-11-14
| 191535
| 765588
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | G4cooh_ts1_eth
| 10146
| sequoia
| 50
| 2009-11-16
| 37201
| 73676
| 4
| 3000mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | X1dTLdTM5_TSR
| 10137
| sequoia
| 100
| 2009-11-14
| 149742
| 596590
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | M6GCG_M6
| 38629
| redwood
| 89
| 2009-11-14
| 501801
| 1782121
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 230
| 230
| 1378
| | X1dTLdTa_M05x3
| 22545
| mimosa
| -
| 2009-11-15
| 457543
| 322813
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | M6dCpdG_W8_M6
| 38643
| redwood
| 73
| 2009-11-15
| 347360
| 1009927
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 330
| 330
| 1850
| | HXAg35F01
| 22534
| mimosa
| -
| 2009-11-15
| 479761
| 463803
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F02
| 22535
| mimosa
| -
| 2009-11-15
| 479537
| 472668
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F03
| 22536
| mimosa
| -
| 2009-11-15
| 478924
| 472448
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F06
| 22538
| mimosa
| -
| 2009-11-15
| 478667
| 472341
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F07
| 22540
| mimosa
| -
| 2009-11-15
| 475553
| 472468
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F05
| 22539
| mimosa
| -
| 2009-11-15
| 478600
| 472711
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F08
| 22541
| mimosa
| -
| 2009-11-15
| 475184
| 471489
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | X1Au10D4dCoTPS
| 22546
| mimosa
| -
| 2009-11-15
| 471941
| 470520
| 4
| 3686400kb
| Gaussian 03
| Exotic
| 1st
| 109
| 108
| 624
| | M6BBB_M06
| 10143
| sequoia
| 100
| 2009-11-15
| 89600
| 358094
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | X1Au10D4dMoTPS
| 22547
| mimosa
| -
| 2009-11-15
| 471276
| 469570
| 4
| 3686400kb
| Gaussian 03
| Exotic
| 1st
| 102
| 102
| 616
| | HXAg35F25
| 22561
| mimosa
| -
| 2009-11-16
| 430219
| 422607
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | G6tylo_1
| 10152
| sequoia
| 100
| 2009-11-16
| 26389
| 105412
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | D1mepea_1
| 22564
| mimosa
| -
| 2009-11-16
| 428320
| 428139
| 1
| 409600kb
| Gaussian 03
| Density-Functional
| 1st
| 120
| 120
| 692
| | X2dTLdTa1F_M05
| 10154
| sequoia
| 98
| 2009-11-16
| 10530
| 41128
| 4
| 3500mb
| Gaussian 03
| Exotic
| 2nd
| -1
| -1
| -1
| | M6BBBr_M6
| 38665
| redwood
| 86
| 2009-11-16
| 425391
| 731803
| 2
| 1500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | MMBB1B1_M6t
| 38664
| redwood
| 99
| 2009-11-16
| 425475
| 845003
| 2
| 1500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | MMFBFBFBF_tTM6
| 38663
| redwood
| 72
| 2009-11-16
| 426339
| 617381
| 2
| 1500mb
| Gaussian 09
| Exotic
|
| 275
| 275
| 1686
| | D1b3c3l
| 22571
| mimosa
| -
| 2009-11-16
| 423347
| 422775
| 1
| 153600kb
| Gaussian 03
| Density-Functional
| 1st
| 224
| 224
| 615
| | X1bcc31n
| 22573
| mimosa
| -
| 2009-11-16
| 423227
| 422813
| 1
| 153600kb
| Gaussian 03
| Exotic
| 1st
| 177
| 177
| 906
| | X1bcc31
| 22572
| mimosa
| -
| 2009-11-16
| 423242
| 422932
| 1
| 153600kb
| Gaussian 03
| Exotic
| 1st
| 177
| 177
| 906
| | D1alodssw1
| 22570
| mimosa
| -
| 2009-11-16
| 423347
| 423068
| 1
| 153600kb
| Gaussian 03
| Density-Functional
| 1st
| 180
| 180
| 600
| | M6BBB_1M6
| 38668
| redwood
| 93
| 2009-11-16
| 424516
| 790416
| 2
| 1500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | K45
| 38671
| redwood
| 58
| 2009-11-16
| 157787
| 366591
| 4
| 3500mb
| Gaussian 09
| Configuration Interaction
|
| 59
| 59
| 293
| | HXAg35hfsbkj
| 22584
| mimosa
| -
| 2009-11-16
| 405842
| 396778
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 1085
| | D1Opt11NR2APw
| 38689
| redwood
| 95
| 2009-11-17
| 199700
| 379627
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 34
| 670
| | FMAg35hfsbk
| 38684
| redwood
| 96
| 2009-11-17
| 260812
| 1000278
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| 333
| 332
| 1085
| | D1Opt10NR2APw
| 38690
| redwood
| 95
| 2009-11-17
| 113308
| 216096
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 34
| 670
| | X1dTLdTa_M05x3
| 22611
| mimosa
| -
| 2009-11-17
| 324451
| 299609
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | D1elim_r
| 38712
| redwood
| 75
| 2009-11-17
| 258601
| 389861
| 2
| 1000mb
| Gaussian 03
| Density-Functional
| 1st
| 33
| 33
| 644
| | D2ts_elim
| 38714
| redwood
| 88
| 2009-11-17
| 244264
| 431987
| 2
| 1000mb
| Gaussian 03
| Density-Functional
| 2nd
| 33
| 33
| 644
| | C1cpd3ccsdt
| 38718
| redwood
| 98
| 2009-11-17
| 184748
| 181101
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 25
| 25
| 161
| | D1H8LClodif
| 38719
| redwood
| 93
| 2009-11-17
| 180006
| 336009
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 175
| 175
| 1348
| | X1dGpdGa_M5_PC
| 22668
| mimosa
| -
| 2009-11-18
| 205897
| 187075
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 156
| 155
| 937
| | GM8x6-6-31G2df
| 38727
| redwood
| 92
| 2009-11-18
| 194187
| 718391
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 336
| 336
| 1440
| | D1Initial
| 22636
| mimosa
| -
| 2009-11-18
| 252358
| 224979
| 4
| 2867200kb
| Gaussian 03
| Density-Functional
| 1st
| 85
| 85
| 522
| | D1Final
| 22633
| mimosa
| -
| 2009-11-18
| 253801
| 222599
| 4
| 2867200kb
| Gaussian 03
| Density-Functional
| 1st
| 85
| 85
| 522
| | X1dTLdTM5_TSR1
| 22632
| mimosa
| -
| 2009-11-18
| 255219
| 180384
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | M6FBF_TM6
| 38741
| redwood
| 88
| 2009-11-18
| 186205
| 329276
| 2
| 1500mb
| Gaussian 09
| Exotic
|
| 122
| 120
| 758
| | isoB_1_longDT
| 10195
| sequoia
| 100
| 2009-11-18
| 241573
| 1929032
| 8
| 15728640kb
|
| PSI
|
| -1
| -1
| -1
| | isoB_1_long
| 10196
| sequoia
| 100
| 2009-11-18
| 241491
| 1926577
| 8
| 15728640kb
|
| PSI
|
| -1
| -1
| -1
| | M6irmrdx6b
| 22649
| mimosa
| -
| 2009-11-18
| 240462
| 240202
| 1
| 153600kb
| Gaussian 09
| Exotic
|
| 334
| 334
| 960
| | M6irmrdx2b
| 22648
| mimosa
| -
| 2009-11-18
| 240481
| 240216
| 1
| 153600kb
| Gaussian 09
| Exotic
|
| 394
| 394
| 1146
| | M6irmrdx4b
| 22651
| mimosa
| -
| 2009-11-18
| 239748
| 239555
| 1
| 153600kb
| Gaussian 09
| Exotic
|
| 334
| 334
| 960
| | M6irmrdx3b
| 22650
| mimosa
| -
| 2009-11-18
| 239984
| 239781
| 1
| 153600kb
| Gaussian 09
| Exotic
|
| 334
| 334
| 960
| | D1chit_8d1
| 22673
| mimosa
| -
| 2009-11-19
| 201510
| 184561
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 698
| 698
| 3030
| | H1mol1_5
| 22671
| mimosa
| -
| 2009-11-19
| 201739
| 169525
| 2
| 1638400kb
| Gaussian 03
| Hartree-Fock
| 1st
| 349
| 349
| 1595
| | X1dTCdTra_M531
| 22669
| mimosa
| -
| 2009-11-19
| 202533
| 159212
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 132
| 131
| 770
| | D1Opt12NR2APw
| 38750
| redwood
| 98
| 2009-11-19
| 34402
| 67208
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 34
| 670
| | G6newref
| 38752
| redwood
| 100
| 2009-11-19
| 119271
| 474939
| 4
| 3500mb
| Gaussian 09
| Density-Functional
|
| 182
| 182
| 1840
| | M6bBB1B_M6
| 38753
| redwood
| 82
| 2009-11-19
| 146685
| 483101
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | MMFBFBFBF_M6t
| 38754
| redwood
| 98
| 2009-11-19
| 165504
| 325881
| 2
| 1500mb
| Gaussian 09
| Exotic
|
| 275
| 275
| 1686
| | X1dTLdTa_M05x3
| 22677
| mimosa
| -
| 2009-11-19
| 160717
| 152976
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | M6DIM7
| 38774
| redwood
| 90
| 2009-11-19
| 9935
| 17959
| 2
| 800mb
| Gaussian 09
| Exotic
|
| 42
| 42
| 300
| | J4mp2
| 10229
| sequoia
| 87
| 2009-11-19
| 153800
| 533122
| 4
| 14000mb
| Gaussian 09
| Many-body Perturbative
|
| -1
| -1
| -1
| | M4r10cp
| 22701
| mimosa
| -
| 2009-11-19
| 143209
| 142548
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 43
| 43
| 252
| | M4r6cp
| 22704
| mimosa
| -
| 2009-11-19
| 142784
| 142170
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 43
| 43
| 270
| | D1jj11
| 22711
| mimosa
| -
| 2009-11-19
| 137632
| 123068
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| 128
| 128
| 685
| | GMk09lbs-09
| 22714
| mimosa
| -
| 2009-11-19
| 137729
| 137597
| 1
| 409600kb
| Gaussian 09
| Density-Functional
|
| 149
| 149
| 1154
| | D22a02
| 22716
| mimosa
| -
| 2009-11-19
| 130921
| 126835
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 2nd
| 128
| 128
| 685
| | E1jj12
| 22713
| mimosa
| -
| 2009-11-19
| 131031
| 113096
| 2
| 819200kb
| Gaussian 03
| Empirical
| 1st
| 93
| 93
| 172
| | E1pes-oh
| 22717
| mimosa
| -
| 2009-11-19
| 128610
| 96038
| 2
| 819200kb
| Gaussian 03
| Empirical
| 1st
| 61
| 61
| 117
| | D1jj14
| 22715
| mimosa
| -
| 2009-11-19
| 131022
| 125584
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| 128
| 128
| 685
| | G4endprc1
| 22792
| mimosa
| -
| 2009-11-21
| 4167
| 4042
| 1
| 409600kb
| Gaussian 09
| Density-Functional
|
| 108
| 108
| 472
| | G6ban4h2
| 38783
| redwood
| 79
| 2009-11-20
| 109047
| 172163
| 2
| 1600mb
| Gaussian 09
| Density-Functional
|
| 105
| 105
| 698
| | G6band5caldft+
| 38785
| redwood
| 84
| 2009-11-20
| 19631
| 33168
| 2
| 1600mb
| Gaussian 09
| Density-Functional
|
| 130
| 130
| 860
| | G6band5opt
| 38784
| redwood
| 98
| 2009-11-20
| 107507
| 210257
| 2
| 1600mb
| Gaussian 09
| Density-Functional
|
| 130
| 130
| 860
| | G6ban2h2
| 38790
| redwood
| 86
| 2009-11-20
| 84155
| 144763
| 2
| 1600mb
| Gaussian 09
| Density-Functional
|
| 53
| 53
| 354
| | G6ban2K
| 38795
| redwood
| 79
| 2009-11-20
| 10352
| 16353
| 2
| 1600mb
| Gaussian 09
| Density-Functional
|
| 61
| 61
| 371
| | D1gold10
| 22739
| mimosa
| -
| 2009-11-20
| 91047
| 83268
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 95
| 95
| 220
| | D1gold20
| 22738
| mimosa
| -
| 2009-11-20
| 91899
| 91471
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 190
| 190
| 440
| | MMBBB_TM06t
| 38798
| redwood
| 99
| 2009-11-20
| 80437
| 159736
| 2
| 1500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | D1gold16
| 22745
| mimosa
| -
| 2009-11-20
| 82771
| 81876
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 152
| 152
| 352
| | M6nnzz4-UM05
| 38802
| redwood
| 90
| 2009-11-20
| 62279
| 224833
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 217
| 217
| 1120
| | M6nnzz6-M05
| 38804
| redwood
| 99
| 2009-11-20
| 43749
| 173864
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 301
| 301
| 1540
| | X1car7
| 22754
| mimosa
| -
| 2009-11-20
| 71264
| 56711
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 55
| 55
| 352
| | X2r9cp
| 22758
| mimosa
| -
| 2009-11-20
| 58218
| 57933
| 1
| 409600kb
| Gaussian 03
| Exotic
| 2nd
| 39
| 39
| 239
| | D1Px-T
| 22761
| mimosa
| -
| 2009-11-20
| 47494
| 22261
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 118
| 116
| 744
| | HXAg30HHfSbkj
| 22770
| mimosa
| -
| 2009-11-20
| 41731
| 38520
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 285
| 285
| 930
| | PXTS_F5Ura_SP
| 22779
| mimosa
| -
| 2009-11-20
| 29967
| 19570
| 4
| 2048000kb
| Gaussian 03
| Many-body Perturbative
| none
| 72
| 72
| 776
| | MMbBB1B_TM6t
| 22776
| mimosa
| -
| 2009-11-20
| 35366
| 35336
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | M4s3cp
| 22780
| mimosa
| -
| 2009-11-21
| 29395
| 29313
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 47
| 47
| 283
| | M4s5cp
| 38818
| redwood
| 81
| 2009-11-21
| 20437
| 33039
| 2
| 1600mb
| Gaussian 09
| Exotic
|
| 40
| 40
| 251
| | M4q8s
| 38817
| redwood
| 79
| 2009-11-21
| 22070
| 69718
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 58
| 57
| 296
| | M4q10s
| 38816
| redwood
| 77
| 2009-11-21
| 21230
| 65263
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 55
| 54
| 352
| | D1min12_n_orto
| 22784
| mimosa
| -
| 2009-11-21
| 26246
| 25851
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 530
| | D1min15_ts_dms
| 22788
| mimosa
| -
| 2009-11-21
| 11485
| 11126
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 72
| 72
| 508
| | D1wat_clu_1
| 22785
| mimosa
| -
| 2009-11-21
| 26246
| 10198
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 33
| 33
| 213
| | D1min1_n_orto
| 22786
| mimosa
| -
| 2009-11-21
| 22056
| 21773
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 530
| | D1min15_2och3_
| 22787
| mimosa
| -
| 2009-11-21
| 15581
| 15152
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 88
| 88
| 620
| | D1HydroxyCyt_C
| 22790
| mimosa
| -
| 2009-11-21
| 9209
| 3270
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 1st
| 33
| 33
| 233
| | D1Conf1_TS
| 22789
| mimosa
| -
| 2009-11-21
| 9567
| 3937
| 4
| 2048000kb
| Gaussian 03
| Density-Functional
| 1st
| 37
| 37
| 269
| | G4endpr1pds
| 22791
| mimosa
| -
| 2009-11-21
| 4295
| 4234
| 1
| 409600kb
| Gaussian 09
| Density-Functional
|
| 108
| 108
| 472
|
|
