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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
| 2962703
| 2910913
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 148
| | C1cpd4trans1tz
| 35837
| redwood
| 99
| 2009-08-03
| 2962653
| 2923190
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 148
| | C1cpd2cis1tz
| 36201
| redwood
| 98
| 2009-08-17
| 2962664
| 2916772
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 148
| | C1cpd5trans1tz
| 36686
| redwood
| 99
| 2009-09-11
| 2962662
| 2921729
| 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
| | C2cpd1ccsdtf
| 37592
| redwood
| 97
| 2009-10-07
| 2962733
| 2861761
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 2nd
| 25
| 25
| 161
| | X1dGpdGPCM_M5
| 20540
| mimosa
| -
| 2009-10-10
| 3742918
| 3451037
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 155
| 155
| 937
| | X1dCpdGra_M5
| 20537
| mimosa
| -
| 2009-10-10
| 3743090
| 3256947
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 146
| 145
| 880
| | D1flc6
| 20628
| mimosa
| -
| 2009-10-12
| 3547208
| 2444223
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 155
| 154
| 991
| | D1nac8
| 20621
| mimosa
| -
| 2009-10-12
| 3554574
| 2734990
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 206
| 205
| 1319
| | D1nna+c8
| 20622
| mimosa
| -
| 2009-10-12
| 3554594
| 2469087
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 205
| 204
| 1315
| | D1lic8
| 20618
| mimosa
| -
| 2009-10-12
| 3554792
| 2746494
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 202
| 201
| 1315
| | M6AApTT_AM6
| 37874
| redwood
| 81
| 2009-10-20
| 640006
| 2061909
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 290
| 290
| 1636
| | M6dGpdC_W8_Sym
| 37876
| redwood
| 86
| 2009-10-20
| 518420
| 1782665
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 330
| 330
| 1850
| | X2dTLdTa_M05x3
| 21006
| mimosa
| -
| 2009-10-22
| 2706547
| 2260607
| 2
| 819200kb
| Gaussian 03
| Exotic
| 2nd
| 144
| 143
| 805
| | M6GGpCC_AM6
| 37960
| redwood
| 79
| 2009-10-24
| 612678
| 1941799
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 290
| 290
| 1626
| | C2cpd6atztight
| 38012
| redwood
| 98
| 2009-10-25
| 2443942
| 2407149
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 2nd
| 16
| 16
| 148
| | MMAg48HXB97Sb
| 38013
| redwood
| 95
| 2009-10-25
| 64478
| 245274
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 456
| 456
| 1488
| | X1AA_TTa_M52X
| 21397
| mimosa
| -
| 2009-10-28
| 2190324
| 1718823
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 153
| 152
| 906
| | D1EN5acid
| 21497
| mimosa
| -
| 2009-10-29
| 2091100
| 197
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | DXdGpdC_W8_IP_
| 38138
| redwood
| 98
| 2009-10-30
| 692436
| 2725800
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| 330
| 329
| 2008
| | C1cpd3trans1tz
| 38153
| redwood
| 98
| 2009-11-01
| 1834967
| 1802331
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 148
| | M6GCGa_M6
| 38162
| redwood
| 87
| 2009-11-01
| 635758
| 2209076
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 231
| 230
| 1378
| | M6dCpdGa_W8_M6
| 38161
| redwood
| 86
| 2009-11-01
| 493854
| 1689404
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 331
| 330
| 1850
| | M6GpC_M6_DZP
| 38212
| redwood
| 78
| 2009-11-02
| 608157
| 1889849
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 145
| 145
| 880
| | DXdGpdC_W8_ani
| 38207
| redwood
| 99
| 2009-11-02
| 648424
| 2568794
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| 331
| 330
| 2008
| | M6CpG_M6x
| 38216
| redwood
| 77
| 2009-11-02
| 481106
| 1486268
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 165
| 165
| 925
| | M6BB1B_bh
| 38251
| redwood
| 83
| 2009-11-03
| 722983
| 2399573
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | M6AApTT_M6
| 38255
| redwood
| 74
| 2009-11-03
| 620821
| 1832910
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 290
| 290
| 1636
| | MMAg66HwB97Sb
| 38267
| redwood
| 99
| 2009-11-03
| 1151204
| 4553307
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 627
| 627
| 2046
| | M6BBB_M6
| 38275
| redwood
| 82
| 2009-11-03
| 530730
| 1748975
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | FMAg60HHfccD3d
| 38287
| redwood
| 72
| 2009-11-03
| 1220346
| 3504369
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| 570
| 570
| 2280
| | M6dGpdCa_W8_M6
| 38298
| redwood
| 88
| 2009-11-04
| 474150
| 1665073
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 331
| 330
| 1850
| | M6BB1B1_M6T
| 38351
| redwood
| 87
| 2009-11-05
| 461587
| 1614289
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 192
| 190
| 1146
| | X1dGpdGa_M5_DZ
| 22289
| mimosa
| -
| 2009-11-09
| 1118468
| 837073
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 156
| 155
| 937
| | M6BB1B_TM6
| 9949
| sequoia
| 100
| 2009-11-05
| 1196441
| 4782600
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | P1MP2opt
| 22080
| mimosa
| -
| 2009-11-05
| 1467310
| 1423774
| 2
| 1638400kb
| Gaussian 03
| Many-body Perturbative
| 1st
| 74
| 74
| 404
| | C14568cco1
| 22104
| mimosa
| -
| 2009-11-06
| 1411335
| 280199
| 2
| 819200kb
| Gaussian 03
| Coupled Cluster
| 1st
| 31
| 31
| 126
| | M6BB1B_TM6
| 38400
| redwood
| 85
| 2009-11-06
| 708295
| 2406012
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 192
| 190
| 1146
| | M6BBB1_TM6
| 38399
| redwood
| 85
| 2009-11-06
| 830762
| 2825866
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 192
| 190
| 1146
| | X2dApdA_M5
| 22191
| mimosa
| -
| 2009-11-07
| 1284480
| 1140610
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 2nd
| 147
| 147
| 831
| | M6AT_ds_dry_co
| 10001
| sequoia
| 100
| 2009-11-08
| 1036250
| 4143656
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6AT_ds_dry_M6
| 10000
| sequoia
| 100
| 2009-11-08
| 1039008
| 4154527
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6TTpAAa_M6
| 9999
| sequoia
| 100
| 2009-11-08
| 1056050
| 4219852
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6CG_ds_31_w8_
| 10002
| sequoia
| 100
| 2009-11-08
| 1032235
| 4127638
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6TTpAA_AM6_a
| 10008
| sequoia
| 100
| 2009-11-08
| 1002819
| 4009877
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6dGpdCa_W8_rM
| 10006
| sequoia
| 100
| 2009-11-08
| 1013193
| 4051469
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6dGpdCa_W8_M6
| 10005
| sequoia
| 100
| 2009-11-08
| 1016431
| 4064487
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6dGpdGa_DZPM6
| 10024
| sequoia
| 100
| 2009-11-09
| 943022
| 3770649
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6dGpdGa_PCM_D
| 10025
| sequoia
| 100
| 2009-11-09
| 941014
| 3763272
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6CG_dry_AM6
| 10023
| sequoia
| 100
| 2009-11-09
| 956663
| 3825186
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6dGapdG_PCM_D
| 10022
| sequoia
| 100
| 2009-11-09
| 957368
| 3828461
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6bBB1B_TM6
| 10032
| sequoia
| 100
| 2009-11-09
| 860395
| 3439111
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6bBB1B1_TM6
| 10027
| sequoia
| 100
| 2009-11-09
| 907510
| 3627504
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6bBB1B_M6
| 10031
| sequoia
| 100
| 2009-11-09
| 869573
| 3474878
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6bBB1B_M6
| 38456
| redwood
| 81
| 2009-11-09
| 907497
| 2939556
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | D2H8LIodifnfrq
| 38459
| redwood
| 76
| 2009-11-09
| 1144729
| 3488358
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 2nd
| 170
| 170
| 1326
| | M6bBB1B_TM6
| 38457
| redwood
| 86
| 2009-11-09
| 883294
| 3045868
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 192
| 190
| 1146
| | D1as23b-cf3
| 22261
| mimosa
| -
| 2009-11-09
| 1141642
| 962042
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 245
| 245
| 985
| | C1cpd2ccsdt
| 38462
| redwood
| 97
| 2009-11-09
| 1138602
| 1106635
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 25
| 25
| 161
| | D2H8LSO4odiffr
| 38463
| redwood
| 76
| 2009-11-09
| 883446
| 2694607
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 2nd
| 191
| 191
| 1436
| | C1cpd1trans1tz
| 38467
| redwood
| 99
| 2009-11-09
| 1138597
| 1129149
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 16
| 16
| 148
| | D2H8LBrodiffrq
| 38460
| redwood
| 75
| 2009-11-09
| 1144655
| 3431878
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 2nd
| 184
| 184
| 1366
| | M6bBBB_M6
| 38468
| redwood
| 84
| 2009-11-09
| 756454
| 2551164
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | M6GC_ds_AM6r
| 10039
| sequoia
| 100
| 2009-11-09
| 847824
| 3390130
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6GCG_M6
| 10043
| sequoia
| 100
| 2009-11-09
| 776143
| 3104016
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6GCGa_M6
| 10042
| sequoia
| 100
| 2009-11-09
| 786215
| 3142937
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | D2H8L3NO3-mod-
| 38477
| redwood
| 76
| 2009-11-09
| 1109809
| 3358396
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 2nd
| 182
| 182
| 1406
| | M6GGpCCa_M6
| 10059
| sequoia
| 100
| 2009-11-10
| 710585
| 2841276
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6TA_ds_conM6
| 10060
| sequoia
| 100
| 2009-11-11
| 706857
| 2826415
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | GMk01lbs
| 10066
| sequoia
| 100
| 2009-11-11
| 676509
| 2705076
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | GMk03lbs
| 10067
| sequoia
| 100
| 2009-11-11
| 654857
| 2618522
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | GMk02lbs
| 10065
| sequoia
| 100
| 2009-11-11
| 686028
| 2743135
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | X1dGpdGa_M5
| 22377
| mimosa
| -
| 2009-11-11
| 974909
| 887477
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 156
| 155
| 937
| | C2cpd3cis1tzf
| 38529
| redwood
| 93
| 2009-11-11
| 970717
| 902696
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 2nd
| 16
| 16
| 148
| | X1TA_ds_conM5
| 10069
| sequoia
| 100
| 2009-11-11
| 634965
| 2534527
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | X1GGpCC_AM5
| 10070
| sequoia
| 100
| 2009-11-11
| 592953
| 2367293
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | G6k19-09
| 38531
| redwood
| 83
| 2009-11-11
| 66862
| 222102
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 149
| 149
| 795
| | G6k01-09
| 10071
| sequoia
| 100
| 2009-11-11
| 575442
| 2300655
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | GMk14lbs-09
| 10073
| sequoia
| 100
| 2009-11-11
| 563937
| 2254938
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | G6k08-09
| 10075
| sequoia
| 100
| 2009-11-11
| 555650
| 2221453
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | G6k02-09
| 10072
| sequoia
| 100
| 2009-11-11
| 568060
| 2270944
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | G6k07-09
| 38532
| redwood
| 68
| 2009-11-11
| 61609
| 167760
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| 149
| 149
| 795
| | GMk04lbs-09
| 22396
| mimosa
| -
| 2009-11-11
| 959542
| 958739
| 1
| 409600kb
| Gaussian 09
| Density-Functional
|
| 149
| 149
| 1154
| | X1dTLdTa_M05x3
| 22449
| mimosa
| -
| 2009-11-12
| 876957
| 520420
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | X1dTLdTa_M05x3
| 22478
| mimosa
| -
| 2009-11-13
| 711656
| 622640
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | X1GCGa_M5X_DZP
| 10092
| sequoia
| 100
| 2009-11-13
| 516005
| 2062245
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | X1dTLdTa_TS_M5
| 10128
| sequoia
| 100
| 2009-11-13
| 313832
| 1249471
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | FMAg35F16
| 10119
| sequoia
| 100
| 2009-11-13
| 350213
| 1400665
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| -1
| -1
| -1
| | FMAg35F25
| 10127
| sequoia
| 100
| 2009-11-13
| 148202
| 592738
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| -1
| -1
| -1
| | X1dTLdTM5_TSR
| 22506
| mimosa
| -
| 2009-11-13
| 767066
| 475704
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | D2H8LCl-H8Clod
| 38611
| redwood
| 84
| 2009-11-13
| 758905
| 1282513
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 2nd
| 166
| 166
| 1262
| | D2H8LCl-H8Clod
| 38610
| redwood
| 77
| 2009-11-13
| 728092
| 2255060
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 2nd
| 166
| 166
| 1262
| | M6BBB1_Tm6
| 10132
| sequoia
| 100
| 2009-11-14
| 310365
| 1240585
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | X1dTLdTM5_TSR
| 10137
| sequoia
| 99
| 2009-11-14
| 268462
| 1068362
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | M6GCG_M6
| 38629
| redwood
| 91
| 2009-11-14
| 620582
| 2255389
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 230
| 230
| 1378
| | X1dTLdTa_M05x3
| 22545
| mimosa
| -
| 2009-11-15
| 576401
| 439695
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | M6dCpdG_W8_M6
| 38643
| redwood
| 74
| 2009-11-15
| 466141
| 1386065
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 330
| 330
| 1850
| | HXAg35F01
| 22534
| mimosa
| -
| 2009-11-15
| 598565
| 578386
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F02
| 22535
| mimosa
| -
| 2009-11-15
| 598343
| 589636
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F03
| 22536
| mimosa
| -
| 2009-11-15
| 597735
| 588401
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F06
| 22538
| mimosa
| -
| 2009-11-15
| 597470
| 587383
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F07
| 22540
| mimosa
| -
| 2009-11-15
| 594357
| 589278
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F05
| 22539
| mimosa
| -
| 2009-11-15
| 597419
| 588586
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | HXAg35F08
| 22541
| mimosa
| -
| 2009-11-15
| 593987
| 588270
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | X1Au10D4dCoTPS
| 22546
| mimosa
| -
| 2009-11-15
| 590745
| 588465
| 4
| 3686400kb
| Gaussian 03
| Exotic
| 1st
| 109
| 108
| 624
| | M6BBB_M06
| 10143
| sequoia
| 100
| 2009-11-15
| 208350
| 832707
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | X1Au10D4dMoTPS
| 22547
| mimosa
| -
| 2009-11-15
| 590084
| 588023
| 4
| 3686400kb
| Gaussian 03
| Exotic
| 1st
| 102
| 102
| 616
| | HXAg35F25
| 22561
| mimosa
| -
| 2009-11-16
| 549034
| 538935
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 770
| | G6tylo_1
| 10152
| sequoia
| 100
| 2009-11-16
| 145160
| 579784
| 4
| 3200mb
| Gaussian 09
| Density-Functional
|
| -1
| -1
| -1
| | D1mepea_1
| 22564
| mimosa
| -
| 2009-11-16
| 547064
| 546825
| 1
| 409600kb
| Gaussian 03
| Density-Functional
| 1st
| 120
| 120
| 692
| | X2dTLdTa1F_M05
| 10154
| sequoia
| 99
| 2009-11-16
| 129350
| 512666
| 4
| 3500mb
| Gaussian 03
| Exotic
| 2nd
| -1
| -1
| -1
| | M6BB1B_M6
| 10155
| sequoia
| 100
| 2009-11-16
| 108309
| 432887
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6BBBr_M6
| 38665
| redwood
| 85
| 2009-11-16
| 544203
| 920267
| 2
| 1500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | MMBB1B1_M6t
| 38664
| redwood
| 99
| 2009-11-16
| 544287
| 1081595
| 2
| 1500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | MMFBFBFBF_tTM6
| 38663
| redwood
| 78
| 2009-11-16
| 545151
| 845687
| 2
| 1500mb
| Gaussian 09
| Exotic
|
| 275
| 275
| 1686
| | D1b3c3l
| 22571
| mimosa
| -
| 2009-11-16
| 542101
| 541349
| 1
| 153600kb
| Gaussian 03
| Density-Functional
| 1st
| 224
| 224
| 615
| | X1bcc31n
| 22573
| mimosa
| -
| 2009-11-16
| 542040
| 541532
| 1
| 153600kb
| Gaussian 03
| Exotic
| 1st
| 177
| 177
| 906
| | X1bcc31
| 22572
| mimosa
| -
| 2009-11-16
| 542045
| 541666
| 1
| 153600kb
| Gaussian 03
| Exotic
| 1st
| 177
| 177
| 906
| | D1alodssw1
| 22570
| mimosa
| -
| 2009-11-16
| 542121
| 541772
| 1
| 153600kb
| Gaussian 03
| Density-Functional
| 1st
| 180
| 180
| 600
| | J6cooh_int1_et
| 10170
| sequoia
| 90
| 2009-11-17
| 51487
| 186276
| 4
| 3000mb
| Gaussian 09
| Many-body Perturbative
|
| -1
| -1
| -1
| | D1al2o3loh2wn
| 10156
| sequoia
| 99
| 2009-11-16
| 97938
| 388547
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| -1
| -1
| -1
| | M6BBB_1M6
| 38668
| redwood
| 93
| 2009-11-16
| 543328
| 1006434
| 2
| 1500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | K45
| 38671
| redwood
| 58
| 2009-11-16
| 276568
| 636246
| 4
| 3500mb
| Gaussian 09
| Configuration Interaction
|
| 59
| 59
| 293
| | X1molecule-thr
| 10160
| sequoia
| 99
| 2009-11-16
| 81151
| 322420
| 4
| 3200mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | X1molecule-thr
| 10159
| sequoia
| 100
| 2009-11-16
| 91844
| 365684
| 4
| 3200mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | HXAg35hfsbkj
| 22584
| mimosa
| -
| 2009-11-16
| 524653
| 512467
| 4
| 3686400kb
| Gaussian 03
| Hartree-Fock
| none
| 333
| 332
| 1085
| | M6dGapdG_DZPM6
| 10163
| sequoia
| 100
| 2009-11-16
| 64918
| 259617
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | J6cooch3_ish
| 10173
| sequoia
| 92
| 2009-11-17
| 48349
| 177202
| 4
| 3000mb
| Gaussian 09
| Many-body Perturbative
|
| -1
| -1
| -1
| | FMAg35hfsbk
| 38684
| redwood
| 97
| 2009-11-17
| 379593
| 1465402
| 4
| 3200mb
| Gaussian 09
| Hartree-Fock
|
| 333
| 332
| 1085
| | D1Opt10NR2APw
| 38690
| redwood
| 80
| 2009-11-17
| 232120
| 372389
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 34
| 670
| | X1Cu-PHGGGWGQ-
| 10178
| sequoia
| 99
| 2009-11-17
| 41038
| 162938
| 4
| 3200mb
| Gaussian 03
| Exotic
| 1st
| -1
| -1
| -1
| | X1dTLdTa_M05x3
| 22611
| mimosa
| -
| 2009-11-17
| 443253
| 365928
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | D1elim_r
| 38712
| redwood
| 67
| 2009-11-17
| 377413
| 508648
| 2
| 1000mb
| Gaussian 03
| Density-Functional
| 1st
| 33
| 33
| 644
| | D2ts_elim
| 38714
| redwood
| 91
| 2009-11-17
| 363076
| 658845
| 2
| 1000mb
| Gaussian 03
| Density-Functional
| 2nd
| 33
| 33
| 644
| | C1cpd3ccsdt
| 38718
| redwood
| 98
| 2009-11-17
| 303560
| 297481
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| 25
| 25
| 161
| | D1H8LClodif
| 38719
| redwood
| 96
| 2009-11-17
| 298818
| 572862
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 175
| 175
| 1348
| | X1dGpdGa_M5_PC
| 22668
| mimosa
| -
| 2009-11-18
| 324698
| 303981
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 156
| 155
| 937
| | D1Initial
| 22636
| mimosa
| -
| 2009-11-18
| 371168
| 323211
| 4
| 2867200kb
| Gaussian 03
| Density-Functional
| 1st
| 85
| 85
| 522
| | D1Final
| 22633
| mimosa
| -
| 2009-11-18
| 372613
| 330100
| 4
| 2867200kb
| Gaussian 03
| Density-Functional
| 1st
| 85
| 85
| 522
| | X1dTLdTM5_TSR1
| 22632
| mimosa
| -
| 2009-11-18
| 374023
| 253659
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | M6FBF_TM6
| 38741
| redwood
| 90
| 2009-11-18
| 305017
| 546578
| 2
| 1500mb
| Gaussian 09
| Exotic
|
| 122
| 120
| 758
| | isoB_1_longDT
| 10195
| sequoia
| 100
| 2009-11-18
| 360303
| 2877179
| 8
| 15728640kb
|
| PSI
|
| -1
| -1
| -1
| | isoB_1_long
| 10196
| sequoia
| 100
| 2009-11-18
| 360271
| 2874185
| 8
| 15728640kb
|
| PSI
|
| -1
| -1
| -1
| | M6irmrdx6b
| 22649
| mimosa
| -
| 2009-11-18
| 359264
| 358887
| 1
| 153600kb
| Gaussian 09
| Exotic
|
| 334
| 334
| 960
| | M6irmrdx2b
| 22648
| mimosa
| -
| 2009-11-18
| 359294
| 358904
| 1
| 153600kb
| Gaussian 09
| Exotic
|
| 394
| 394
| 1146
| | M6irmrdx4b
| 22651
| mimosa
| -
| 2009-11-18
| 358521
| 358219
| 1
| 153600kb
| Gaussian 09
| Exotic
|
| 334
| 334
| 960
| | M6irmrdx3b
| 22650
| mimosa
| -
| 2009-11-18
| 358758
| 358448
| 1
| 153600kb
| Gaussian 09
| Exotic
|
| 334
| 334
| 960
| | D1chit_8d1
| 22673
| mimosa
| -
| 2009-11-19
| 320229
| 279691
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 698
| 698
| 3030
| | H1mol1_5
| 22671
| mimosa
| -
| 2009-11-19
| 320466
| 254963
| 2
| 1638400kb
| Gaussian 03
| Hartree-Fock
| 1st
| 349
| 349
| 1595
| | D1Opt12NR2APw
| 38750
| redwood
| 89
| 2009-11-19
| 153214
| 273363
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 34
| 670
| | M6bBB1B_M6
| 38753
| redwood
| 84
| 2009-11-19
| 265466
| 892105
| 4
| 3500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | MMFBFBFBF_M6t
| 38754
| redwood
| 99
| 2009-11-19
| 284316
| 562401
| 2
| 1500mb
| Gaussian 09
| Exotic
|
| 275
| 275
| 1686
| | X1dTLdTa_M05x3
| 22677
| mimosa
| -
| 2009-11-19
| 279517
| 259597
| 2
| 819200kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | D1jj11
| 22711
| mimosa
| -
| 2009-11-19
| 256341
| 211846
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| 128
| 128
| 685
| | D22a02
| 22716
| mimosa
| -
| 2009-11-19
| 249725
| 232843
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 2nd
| 128
| 128
| 685
| | E1jj12
| 22713
| mimosa
| -
| 2009-11-19
| 249845
| 219661
| 2
| 819200kb
| Gaussian 03
| Empirical
| 1st
| 93
| 93
| 172
| | E1pes-oh
| 22717
| mimosa
| -
| 2009-11-19
| 247423
| 169466
| 2
| 819200kb
| Gaussian 03
| Empirical
| 1st
| 61
| 61
| 117
| | D1jj14
| 22715
| mimosa
| -
| 2009-11-19
| 249827
| 146478
| 2
| 819200kb
| Gaussian 03
| Density-Functional
| 1st
| 128
| 128
| 685
| | G6ban4h2
| 38783
| redwood
| 73
| 2009-11-20
| 227859
| 334342
| 2
| 1600mb
| Gaussian 09
| Density-Functional
|
| 105
| 105
| 698
| | G6band5caldft+
| 38785
| redwood
| 83
| 2009-11-20
| 138443
| 230612
| 2
| 1600mb
| Gaussian 09
| Density-Functional
|
| 130
| 130
| 860
| | G6band5opt
| 38784
| redwood
| 85
| 2009-11-20
| 226319
| 386823
| 2
| 1600mb
| Gaussian 09
| Density-Functional
|
| 130
| 130
| 860
| | G6ban2h2
| 38790
| redwood
| 76
| 2009-11-20
| 202967
| 307648
| 2
| 1600mb
| Gaussian 09
| Density-Functional
|
| 53
| 53
| 354
| | G6ban2K
| 38795
| redwood
| 81
| 2009-11-20
| 129164
| 209450
| 2
| 1600mb
| Gaussian 09
| Density-Functional
|
| 61
| 61
| 371
| | D1gold20
| 22738
| mimosa
| -
| 2009-11-20
| 210703
| 209778
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 190
| 190
| 440
| | MMBBB_TM06t
| 38798
| redwood
| 100
| 2009-11-20
| 199249
| 397070
| 2
| 1500mb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | M6nnzz4-UM05
| 38802
| redwood
| 95
| 2009-11-20
| 181060
| 688465
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 217
| 217
| 1120
| | M6nnzz6-M05
| 38804
| redwood
| 99
| 2009-11-20
| 162530
| 644290
| 4
| 3584mb
| Gaussian 09
| Exotic
|
| 301
| 301
| 1540
| | DXPx3
| 22864
| mimosa
| -
| 2009-11-22
| 1657
| 1567
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | MMbBB1B_TM6t
| 22776
| mimosa
| -
| 2009-11-20
| 154205
| 154092
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 191
| 191
| 1146
| | M4s3cp
| 22780
| mimosa
| -
| 2009-11-21
| 148186
| 146303
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 47
| 47
| 283
| | D1min12_n_orto
| 22784
| mimosa
| -
| 2009-11-21
| 145053
| 122662
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 530
| | D1min15_ts_dms
| 22788
| mimosa
| -
| 2009-11-21
| 130289
| 117698
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 72
| 72
| 508
| | D1min1_n_orto
| 22786
| mimosa
| -
| 2009-11-21
| 140768
| 121243
| 2
| 1638400kb
| Gaussian 03
| Density-Functional
| 1st
| 77
| 77
| 530
| | D1min15_2och3_
| 22787
| mimosa
| -
| 2009-11-21
| 134395
| 119761
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 88
| 88
| 620
| | D1PR7opt9H2AP
| 38823
| redwood
| 94
| 2009-11-21
| 11793
| 22275
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 35
| 730
| | D1PR6opt9H2AP
| 38822
| redwood
| 97
| 2009-11-21
| 81358
| 158511
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| 35
| 35
| 730
| | HXAg24HHfSbkj
| 22803
| mimosa
| -
| 2009-11-21
| 83266
| 82790
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 228
| 228
| 744
| | M6irmrdx2bs
| 22806
| mimosa
| -
| 2009-11-21
| 102025
| 101940
| 1
| 153600kb
| Gaussian 09
| Exotic
|
| 334
| 334
| 960
| | HXAg30HHfSbkj
| 22804
| mimosa
| -
| 2009-11-21
| 83263
| 82567
| 2
| 1843200kb
| Gaussian 03
| Hartree-Fock
| none
| 285
| 285
| 930
| | FMAg30HHfSbkjc
| 38829
| redwood
| 96
| 2009-11-21
| 61744
| 118508
| 2
| 1600mb
| Gaussian 09
| Hartree-Fock
|
| 285
| 285
| 930
| | M6r2dftb
| 22809
| mimosa
| -
| 2009-11-21
| 96989
| 94058
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 32
| 32
| 340
| | M6r2dftc
| 38830
| redwood
| 77
| 2009-11-21
| 76980
| 236360
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 32
| 32
| 529
| | M6irmrdx6b
| 10273
| sequoia
| 100
| 2009-11-21
| 66218
| 132341
| 2
| 1600mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M6irmrdx3b
| 10274
| sequoia
| 100
| 2009-11-21
| 66217
| 132335
| 2
| 1600mb
| Gaussian 09
| Exotic
|
| -1
| -1
| -1
| | M4mp3s
| 22823
| mimosa
| -
| 2009-11-22
| 54261
| 53672
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 22
| 21
| 144
| | X1dTaLdTa_M5
| 22837
| mimosa
| -
| 2009-11-22
| 26608
| 25769
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 144
| 143
| 805
| | M4mr6s
| 22826
| mimosa
| -
| 2009-11-22
| 52464
| 52239
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 43
| 43
| 270
| | M4mq1s
| 22824
| mimosa
| -
| 2009-11-22
| 53364
| 52995
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 29
| 28
| 176
| | M4mr2s
| 22825
| mimosa
| -
| 2009-11-22
| 52812
| 52394
| 1
| 409600kb
| Gaussian 09
| Exotic
|
| 32
| 32
| 201
| | M4mc2s
| 38837
| redwood
| 80
| 2009-11-22
| 11533
| 36881
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 35
| 34
| 226
| | M4mc1s
| 38836
| redwood
| 80
| 2009-11-22
| 25782
| 82742
| 4
| 3200mb
| Gaussian 09
| Exotic
|
| 48
| 47
| 314
| | D1metis2_sf
| 22831
| mimosa
| -
| 2009-11-22
| 30325
| 28809
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 64
| 64
| 355
| | D1metis1_sf
| 22832
| mimosa
| -
| 2009-11-22
| 30329
| 28750
| 2
| 1843200kb
| Gaussian 03
| Density-Functional
| 1st
| 64
| 64
| 355
| | PXnitim_mp2
| 38850
| redwood
| 96
| 2009-11-22
| 174
| 335
| 2
| 1600mb
| Gaussian 03
| Many-body Perturbative
| none
| -1
| -1
| -1
| | X1dGpadG_M5_PC
| 22839
| mimosa
| -
| 2009-11-22
| 17730
| 17536
| 4
| 2048000kb
| Gaussian 03
| Exotic
| 1st
| 156
| 155
| 937
| | P1GGneutoptMP2
| 22853
| mimosa
| -
| 2009-11-22
| 9091
| 9043
| 1
| 409600kb
| Gaussian 03
| Many-body Perturbative
| 1st
| 78
| 78
| 438
| | DXTP3
| 22857
| mimosa
| -
| 2009-11-22
| 6683
| 6318
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| 122
| 120
| 758
| | DXTQ3
| 22862
| mimosa
| -
| 2009-11-22
| 2731
| 2581
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | DXTP-Ph-T1
| 22866
| mimosa
| -
| 2009-11-22
| 1529
| 1445
| 4
| 1638400kb
| Gaussian 03
| Density-Functional
| none
| -1
| -1
| -1
| | XXdTCdTra_M531
| 22867
| mimosa
| -
| 2009-11-22
| 281
| 267
| 4
| 2048000kb
| Gaussian 03
| Exotic
| none
| -1
| -1
| -1
|
|
