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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 | | D2TA_w4_La
| 17860
| redwood
| 77
| 2007-09-22
| 5439
| 4176
| 1
| 3584mb
| Gaussian 03
| Density-Functional
| 2nd
| | IXGSlrndqds_ne
| 20124
| redwood
| 39
| 2007-12-18
| 5171
| 1998
| 1
| 800mb
| Gaussian 03
| Configuration Interaction
| none
| | C2MN3ccsdtbigf
| 20468
| redwood
| 67
| 2008-01-05
| 5148
| 3434
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C1cpd10bccsdt
| 20891
| redwood
| 80
| 2008-01-22
| 5163
| 4155
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1trip-180-631
| 21656
| redwood
| 70
| 2008-02-08
| 5141
| 3584
| 1
| 1500mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1cs-cl2-311
| 21722
| redwood
| 58
| 2008-02-09
| 5119
| 2967
| 1
| 1500mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1r-cl2so2-c2-
| 21721
| redwood
| 57
| 2008-02-09
| 5157
| 2956
| 1
| 1500mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1cpd11wccsdt
| 21804
| redwood
| 92
| 2008-02-11
| 5127
| 4736
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C2IPN1ccsdnbig
| 21806
| redwood
| 28
| 2008-02-11
| 5103
| 1429
| 1
| 1000mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | X1as42pdb1
| 21832
| redwood
| 85
| 2008-02-12
| 5125
| 4341
| 1
| 2500mb
| Gaussian 03
| Exotic
| 1st
| | myrun56
| 31874
| mimosa
| -
| 2008-02-12
| 751535
| 2135443
| 1
| 80mb
| Unknown
|
|
| | myrun64
| 31872
| mimosa
| -
| 2008-02-12
| 750812
| 2135564
| 1
| 80mb
| Unknown
|
|
| | myrun61
| 31869
| mimosa
| -
| 2008-02-12
| 750459
| 2134350
| 1
| 80mb
| Unknown
|
|
| | myrun62
| 31870
| mimosa
| -
| 2008-02-12
| 750476
| 2134300
| 1
| 80mb
| Unknown
|
|
| | myrun63
| 31871
| mimosa
| -
| 2008-02-12
| 750957
| 2135677
| 1
| 80mb
| Unknown
|
|
| | myrun55
| 31873
| mimosa
| -
| 2008-02-12
| 751783
| 2135747
| 1
| 80mb
| Unknown
|
|
| | C2EGDN3ccsdf
| 3699
| sweetgum
| 48
| 2008-02-13
| 98190
| 47602
| 1
| 450mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C2cisfox1ccsd6
| 3700
| sweetgum
| 53
| 2008-02-13
| 98185
| 52362
| 1
| 420mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C2PN1ccsdbignf
| 3709
| sweetgum
| 44
| 2008-02-13
| 98192
| 42966
| 1
| 450mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C1cpd10bccsddf
| 22028
| redwood
| 84
| 2008-02-18
| 5074
| 4251
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C2cpd10bccsddf
| 3805
| sweetgum
| 67
| 2008-02-20
| 98182
| 65694
| 1
| 450mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C2trafox1ccsd6
| 3810
| sweetgum
| 62
| 2008-02-20
| 98182
| 60680
| 1
| 450mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C1dadne3ccsd63
| 3809
| sweetgum
| 58
| 2008-02-20
| 98186
| 56502
| 1
| 420mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1cpd7cisaccsd
| 32507
| mimosa
| -
| 2008-02-27
| 615150
| 232275
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1hsnnh-rr-311
| 33018
| mimosa
| -
| 2008-03-04
| 568791
| 110154
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1cisfox2ccsd6
| 3950
| sweetgum
| 31
| 2008-02-25
| 98180
| 29979
| 1
| 450mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1CCSDT-Ring
| 22295
| redwood
| 84
| 2008-03-04
| 5114
| 4283
| 1
| 1000mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1CCSDT-Ring-2
| 22308
| redwood
| 48
| 2008-03-04
| 5139
| 2449
| 1
| 1000mb
| Gaussian 03
| Coupled Cluster
| 1st
| | X1AT_w4_BHH
| 22625
| redwood
| 65
| 2008-03-13
| 5463
| 14274
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| | C2ccsdt3ag
| 4369
| sweetgum
| 53
| 2008-03-13
| 98165
| 52231
| 1
| 200mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | D1dCpdG_w8_dif
| 22702
| redwood
| 61
| 2008-03-14
| 5475
| 13468
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| 1st
| | D1dG_HpdCH
| 22829
| redwood
| 77
| 2008-03-16
| 5468
| 16826
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| 1st
| | C1r-nsnh2-6311
| 33474
| mimosa
| -
| 2008-03-19
| 429361
| 105136
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | D2nit_s_sf
| 22904
| redwood
| 102
| 2008-03-18
| 5169
| 5271
| 1
| 1500mb
| Gaussian 03
| Density-Functional
| 2nd
| | C1EN2ccsdtcctz
| 23104
| redwood
| 31
| 2008-03-22
| 5144
| 1608
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1cpd9bccsdnt
| 33880
| mimosa
| -
| 2008-03-28
| 360994
| 180393
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1trafox2ccsd6
| 23227
| redwood
| 45
| 2008-03-31
| 5126
| 2291
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1cpd8cccsdt
| 33957
| mimosa
| -
| 2008-03-31
| 334398
| 144408
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1IPN1ccsdbig4
| 23277
| redwood
| 78
| 2008-04-01
| 5105
| 3974
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C2PN1ccsdbignf
| 23280
| redwood
| 79
| 2008-04-01
| 5168
| 4094
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | dmsol_2000-2.pb
| 23298
| redwood
| 39
| 2008-04-01
| 5131
| 3998
| 2
| 1gb
| Unknown
|
|
| | C2IPN3ccsdbigf
| 23317
| redwood
| 69
| 2008-04-01
| 5110
| 3546
| 1
| 1200mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C1dadne1ccsd
| 23319
| redwood
| 78
| 2008-04-01
| 5146
| 4011
| 1
| 1200mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C2EGDN3ccsdf
| 23315
| redwood
| 39
| 2008-04-01
| 5128
| 2017
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C2EGDN2ccsdf
| 23318
| redwood
| 38
| 2008-04-01
| 5095
| 1919
| 1
| 1200mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C1FA2CCSD631PL
| 4731
| sweetgum
| 22
| 2008-04-01
| 98193
| 21433
| 1
| 450mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1FA1CCSD631PL
| 4739
| sweetgum
| 20
| 2008-04-02
| 98191
| 19670
| 1
| 450mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1FA5CCSD631PL
| 4742
| sweetgum
| 22
| 2008-04-02
| 98189
| 21270
| 1
| 450mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1FA3CCSD631PL
| 4743
| sweetgum
| 27
| 2008-04-02
| 98184
| 26460
| 1
| 450mb
| Gaussian 03
| Coupled Cluster
| 1st
| | X1DIM_2
| 23407
| redwood
| 78
| 2008-04-04
| 5487
| 17210
| 4
| 3400mb
| Gaussian 03
| Exotic
| 1st
| | X1DIM_4
| 23414
| redwood
| 59
| 2008-04-04
| 5489
| 12860
| 4
| 3400mb
| Gaussian 03
| Exotic
| 1st
| | C1cpd10bccsddf
| 23512
| redwood
| 85
| 2008-04-07
| 5164
| 4366
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1stra-HNSN-2d
| 34486
| mimosa
| -
| 2008-04-13
| 228383
| 82339
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1cyc-TZT-R
| 4941
| sweetgum
| 47
| 2008-04-13
| 98162
| 46084
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1Star-S-Cente
| 34492
| mimosa
| -
| 2008-04-13
| 228969
| 94995
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1cyc-c2-r-TZ
| 34502
| mimosa
| -
| 2008-04-13
| 219209
| 78189
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1cyc-c2-r-3df
| 34508
| mimosa
| -
| 2008-04-13
| 216690
| 81910
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1fq-R-cyc-non
| 34512
| mimosa
| -
| 2008-04-13
| 214451
| 77502
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1r-nsnh2-2df
| 34516
| mimosa
| -
| 2008-04-13
| 217307
| 67691
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C10-180r
| 23665
| redwood
| 84
| 2008-04-13
| 5116
| 4318
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 1st
| | X1DIM_3
| 23681
| redwood
| 52
| 2008-04-14
| 5448
| 11313
| 4
| 3400mb
| Gaussian 03
| Exotic
| 1st
| | D1dGpdC_W8raDi
| 23711
| redwood
| 72
| 2008-04-14
| 5434
| 15725
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| 1st
| | C10-r-sh2n2
| 4978
| sweetgum
| 54
| 2008-04-15
| 98159
| 53098
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1trip-0-311
| 4983
| sweetgum
| 30
| 2008-04-15
| 98155
| 29388
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1trip-snn-h2-
| 4982
| sweetgum
| 38
| 2008-04-15
| 98156
| 37508
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C10-180-r-sh2n
| 4976
| sweetgum
| 31
| 2008-04-15
| 98161
| 30446
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C2trip-180-2df
| 4981
| sweetgum
| 39
| 2008-04-15
| 98157
| 38461
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C1trip-non-cyc
| 4984
| sweetgum
| 24
| 2008-04-15
| 98154
| 23323
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | P1nitro-addsca
| 34639
| mimosa
| -
| 2008-04-15
| 210362
| 80121
| 2
| 800mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | D1a2ga-znl
| 23758
| redwood
| 67
| 2008-04-15
| 5134
| 6896
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| | C2trans-SNHNH-
| 23786
| redwood
| 37
| 2008-04-16
| 5078
| 1874
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C1trafox1ccsd6
| 23800
| redwood
| 37
| 2008-04-16
| 5090
| 1883
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| | X1aui6_cis
| 5063
| sweetgum
| 47
| 2008-04-18
| 98150
| 91985
| 2
| 400mb
| Gaussian 03
| Exotic
| 1st
| | X1DIM_1
| 23873
| redwood
| 63
| 2008-04-18
| 5481
| 13879
| 4
| 3400mb
| Gaussian 03
| Exotic
| 1st
| | C1RRR-0
| 5087
| sweetgum
| 21
| 2008-04-18
| 98160
| 20324
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1ccsd-cyclic-
| 5083
| sweetgum
| 29
| 2008-04-18
| 98165
| 28802
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1ccsd-cyclic-
| 5084
| sweetgum
| 46
| 2008-04-18
| 98163
| 45074
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1RRR-0-180
| 5086
| sweetgum
| 23
| 2008-04-18
| 98162
| 22697
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C2fq-HNS-n-h-r
| 5082
| sweetgum
| 18
| 2008-04-18
| 98154
| 17935
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C1RRR-180
| 5088
| sweetgum
| 19
| 2008-04-18
| 98158
| 18457
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C2NSN-H2-RRR-3
| 5089
| sweetgum
| 39
| 2008-04-18
| 98157
| 38013
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C1r-HNNSHN-REA
| 34797
| mimosa
| -
| 2008-04-19
| 172836
| 20401
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1nsnh2-rR-TZ
| 34795
| mimosa
| -
| 2008-04-19
| 177743
| 57108
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1r-snhnh-TZ
| 34796
| mimosa
| -
| 2008-04-19
| 177385
| 28075
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | dmsol_600-3.pbs
| 23896
| redwood
| 38
| 2008-04-19
| 5122
| 3873
| 2
| 1gb
| Unknown
|
|
| | dmsol_2000-3.pb
| 23897
| redwood
| 38
| 2008-04-19
| 5085
| 3864
| 2
| 1gb
| Unknown
|
|
| | D1cproanionDFT
| 5123
| sweetgum
| 96
| 2008-04-19
| 98189
| 94652
| 1
| 450mb
| Gaussian 03
| Density-Functional
| 1st
| | C2NSN-H2-r-311
| 23930
| redwood
| 96
| 2008-04-21
| 5069
| 4880
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | D1a1gats10
| 23974
| redwood
| 72
| 2008-04-21
| 5124
| 7349
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| | C1trafox3ccsd6
| 24023
| redwood
| 71
| 2008-04-22
| 5163
| 3655
| 1
| 880mb
| Gaussian 03
| Coupled Cluster
| 1st
| | D1vp
| 34934
| mimosa
| -
| 2008-04-23
| 142546
| 140071
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | C1FA5CCSD6312P
| 34951
| mimosa
| -
| 2008-04-23
| 128220
| 7357
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1FA3CCSD6312P
| 34949
| mimosa
| -
| 2008-04-23
| 132086
| 10971
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1FA1CCSD6312P
| 34947
| mimosa
| -
| 2008-04-23
| 137990
| 11173
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1FA2CCSD6312P
| 34948
| mimosa
| -
| 2008-04-23
| 131901
| 9285
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1FA4CCSD6312P
| 34950
| mimosa
| -
| 2008-04-23
| 130919
| 8284
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1hsnnh-Rr-311
| 34961
| mimosa
| -
| 2008-04-23
| 118098
| 6332
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1nSnH2-rR-2df
| 34960
| mimosa
| -
| 2008-04-23
| 120212
| 5171
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1cyTZ-H-on-R
| 34968
| mimosa
| -
| 2008-04-23
| 116321
| 8604
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | X1dTpdT
| 34982
| mimosa
| -
| 2008-04-24
| 133434
| 128825
| 4
| 500mb
| Gaussian 03
| Exotic
| 1st
| | D1nn3
| 34987
| mimosa
| -
| 2008-04-24
| 131966
| 131586
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | X1ATAT_w11BHH
| 24060
| redwood
| 76
| 2008-04-25
| 5444
| 16443
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| | H2d6sr2cdHFf
| 35042
| mimosa
| -
| 2008-04-26
| 113674
| 102014
| 4
| 900mb
| Gaussian 03
| Hartree-Fock
| 2nd
| | D1lala
| 35088
| mimosa
| -
| 2008-04-28
| 98078
| 95240
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | X1AT_AT_BHH
| 24127
| redwood
| 67
| 2008-04-28
| 3344
| 8982
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| | D11a-whlbs
| 24134
| redwood
| 46
| 2008-04-28
| 5466
| 10027
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | DX3b1lbs
| 24140
| redwood
| 66
| 2008-04-28
| 5461
| 14326
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | DX3a2-3b2-lbs
| 24141
| redwood
| 59
| 2008-04-28
| 5455
| 12969
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | P1aui6_dz_mp2
| 5353
| sweetgum
| 71
| 2008-04-29
| 67101
| 189916
| 4
| 1800mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | D1dme4cu
| 35159
| mimosa
| -
| 2008-04-29
| 77301
| 75155
| 1
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1a20
| 35161
| mimosa
| -
| 2008-04-29
| 79203
| 75478
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | runmd_2.0_rce.g
| 24159
| redwood
| 70
| 2008-04-29
| 5459
| 15223
| 4
| 2gb
| Unknown
|
|
| | P1b-fme2
| 24165
| redwood
| 69
| 2008-04-30
| 5150
| 3564
| 1
| 1024mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | C1true-HSNN-2d
| 35185
| mimosa
| -
| 2008-04-30
| 65605
| 5081
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1r-snhnh-3df
| 35183
| mimosa
| -
| 2008-04-30
| 64452
| 1918
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1r-HNN-S-H-N-
| 35182
| mimosa
| -
| 2008-04-30
| 68887
| 3159
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1Star-N-Cente
| 35186
| mimosa
| -
| 2008-04-30
| 65471
| 4448
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | X1CIS_2M1NN_S2
| 5423
| sweetgum
| 60
| 2008-05-01
| 69520
| 84045
| 2
| 900mb
| Gaussian 03
| Exotic
| 1st
| | D2ticl3_8lin_6
| 35221
| mimosa
| -
| 2008-05-02
| 65452
| 41296
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 2nd
| | D2idme4cu11
| 24205
| redwood
| 71
| 2008-05-02
| 5132
| 3640
| 1
| 1200mb
| Gaussian 03
| Density-Functional
| 2nd
| | C1hgo3-ccsd-c2
| 24206
| redwood
| 78
| 2008-05-02
| 5137
| 4005
| 1
| 1500mb
| Gaussian 03
| Coupled Cluster
| 1st
| | D1Ag25l2dzecp
| 24235
| redwood
| 77
| 2008-05-03
| 5500
| 17001
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | D1a16
| 35233
| mimosa
| -
| 2008-05-02
| 51242
| 49173
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | C2cisfox1ccsd6
| 35235
| mimosa
| -
| 2008-05-02
| 60705
| 20811
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C1Rr-OOSCL-TZ
| 35238
| mimosa
| -
| 2008-05-02
| 56581
| 5206
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | D11a1p2-34
| 5535
| sweetgum
| 74
| 2008-05-06
| 27628
| 41121
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D15n67
| 24228
| redwood
| 107
| 2008-05-03
| 5167
| 5523
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | C1tri-clso2-TZ
| 35260
| mimosa
| -
| 2008-05-04
| 46220
| 4203
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | D1dmecu8
| 35275
| mimosa
| -
| 2008-05-04
| 39367
| 38787
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1Ag57
| 24238
| redwood
| 80
| 2008-05-03
| 5499
| 17531
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | D1idme-4cu11
| 24241
| redwood
| 128
| 2008-05-04
| 5129
| 6563
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | C1rR-trn-snhnh
| 24251
| redwood
| 30
| 2008-05-04
| 5071
| 1511
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1r-hns-n-h-31
| 35267
| mimosa
| -
| 2008-05-04
| 9578
| 2879
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | D1tr_dm_cc
| 5487
| sweetgum
| 88
| 2008-05-04
| 39009
| 137020
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | C1osocl-TZ
| 35261
| mimosa
| -
| 2008-05-04
| 49256
| 5372
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1hgo3-ccsd-tr
| 24242
| redwood
| 16
| 2008-05-04
| 5160
| 847
| 1
| 1500mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1rRr-nsnh2-TZ
| 35264
| mimosa
| -
| 2008-05-04
| 31133
| 2180
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1rrR-nSnH2-31
| 35263
| mimosa
| -
| 2008-05-04
| 48624
| 3884
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1rRr-SNN-H2-3
| 35265
| mimosa
| -
| 2008-05-04
| 27712
| 3359
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1R-HSN-N-H-3d
| 35266
| mimosa
| -
| 2008-05-04
| 21060
| 3545
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | D1dmecu12
| 35276
| mimosa
| -
| 2008-05-04
| 37965
| 37565
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | CXCCSD2
| 24256
| redwood
| 47
| 2008-05-05
| 5166
| 2440
| 1
| 3000mb
| Gaussian 03
| Coupled Cluster
| none
| | rnapolsoldm.pbs
| 24253
| redwood
| 39
| 2008-05-04
| 5073
| 3948
| 2
| 1gb
| Unknown
|
|
| | D1Au57al2dz
| 24248
| redwood
| 92
| 2008-05-04
| 5168
| 9513
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| | C1rRR-trans-sn
| 24250
| redwood
| 46
| 2008-05-04
| 5082
| 2325
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 1st
| | D1GC14AU-STG
| 24278
| redwood
| 70
| 2008-05-05
| 5501
| 15334
| 4
| 3584mb
| Gaussian 03
| Density-Functional
| 1st
| | X1dCpdT
| 35323
| mimosa
| -
| 2008-05-05
| 35310
| 33689
| 4
| 500mb
| Gaussian 03
| Exotic
| 1st
| | D1Au57bl2dz
| 24257
| redwood
| 79
| 2008-05-05
| 5497
| 17285
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | CXCCSD1
| 24255
| redwood
| 29
| 2008-05-05
| 5170
| 1508
| 1
| 3000mb
| Gaussian 03
| Coupled Cluster
| none
| | D11a1pes2
| 5500
| sweetgum
| 91
| 2008-05-05
| 37954
| 69349
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1pes1a1
| 5499
| sweetgum
| 88
| 2008-05-05
| 38046
| 66782
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11b1pes
| 5501
| sweetgum
| 90
| 2008-05-05
| 37420
| 67053
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1vp21
| 35332
| mimosa
| -
| 2008-05-06
| 31395
| 29679
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | P15sc1-nitro
| 35334
| mimosa
| -
| 2008-05-06
| 30708
| 12506
| 2
| 500mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | X1mGmC_BHaH
| 35329
| mimosa
| -
| 2008-05-05
| 32746
| 33877
| 4
| 800mb
| Gaussian 03
| Exotic
| 1st
| | D1GC16AU1-STG
| 24279
| redwood
| 81
| 2008-05-05
| 5498
| 17843
| 4
| 3584mb
| Gaussian 03
| Density-Functional
| 1st
| | D1FB_DFT
| 5586
| sweetgum
| 92
| 2008-05-07
| 14880
| 27431
| 2
| 500mb
| Gaussian 03
| Density-Functional
| 1st
| | P2aui6_sdd_mp2
| 5519
| sweetgum
| 79
| 2008-05-06
| 29967
| 95011
| 4
| 1800mb
| Gaussian 03
| Many-body Perturbative
| 2nd
| | DX4a1lbs
| 24284
| redwood
| 58
| 2008-05-06
| 5432
| 12686
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | D1diatrizoate
| 5529
| sweetgum
| 29
| 2008-05-06
| 30309
| 17366
| 2
| 500mb
| Gaussian 03
| Density-Functional
| 1st
| | DX4b1lbs
| 24287
| redwood
| 54
| 2008-05-06
| 5430
| 11785
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | D11a1p2-30
| 5539
| sweetgum
| 83
| 2008-05-06
| 26233
| 43445
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1p2-33
| 5536
| sweetgum
| 71
| 2008-05-06
| 27204
| 38789
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1p2-31
| 5538
| sweetgum
| 84
| 2008-05-06
| 26537
| 44654
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1p2-29
| 5540
| sweetgum
| 84
| 2008-05-06
| 26125
| 43992
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1p2-35
| 5534
| sweetgum
| 67
| 2008-05-06
| 27635
| 37011
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1p2-32
| 5537
| sweetgum
| 72
| 2008-05-06
| 26867
| 38626
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | runmd_9_hce21.g
| 24288
| redwood
| 73
| 2008-05-06
| 5413
| 63392
| 16
| 9216mb
| Unknown
|
|
| | runmd_7_hice.go
| 24290
| redwood
| 77
| 2008-05-06
| 5417
| 33318
| 8
| 5376mb
| Unknown
|
|
| | D11b1p-36
| 5541
| sweetgum
| 78
| 2008-05-06
| 28632
| 44587
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1p2-28
| 24292
| redwood
| 60
| 2008-05-06
| 5457
| 13178
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | D11b1p-31
| 5546
| sweetgum
| 89
| 2008-05-06
| 24596
| 44016
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11b1p-32
| 5545
| sweetgum
| 82
| 2008-05-06
| 24969
| 40786
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11b1p-34
| 5543
| sweetgum
| 83
| 2008-05-06
| 25158
| 41989
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11b1p-33
| 5544
| sweetgum
| 83
| 2008-05-06
| 25063
| 41611
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11b1p-35
| 5542
| sweetgum
| 84
| 2008-05-06
| 25302
| 42489
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes-7
| 35476
| mimosa
| -
| 2008-05-08
| 3972
| 3114
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1p2-27
| 24293
| redwood
| 74
| 2008-05-06
| 5456
| 16099
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | D1nn2
| 35395
| mimosa
| -
| 2008-05-07
| 22266
| 19063
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1aui6_2_sym1
| 5563
| sweetgum
| 73
| 2008-05-07
| 22281
| 64894
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | C1NSNH2-R-ADT
| 5574
| sweetgum
| 26
| 2008-05-07
| 21394
| 5617
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | X1aaa_dz
| 5597
| sweetgum
| 34
| 2008-05-08
| 14404
| 19395
| 4
| 1800mb
| Gaussian 03
| Exotic
| 1st
| | C1HSN-N-H-rrr-
| 5566
| sweetgum
| 19
| 2008-05-07
| 21885
| 4107
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1HSN-N-H-R-TZ
| 5565
| sweetgum
| 28
| 2008-05-07
| 22477
| 6198
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1HSN-N-H-RrR-
| 5569
| sweetgum
| 33
| 2008-05-07
| 21244
| 6929
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1HNN-S-H-R-TZ
| 5570
| sweetgum
| 28
| 2008-05-07
| 19454
| 5479
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C2fq-HSNNH-Rr-
| 5576
| sweetgum
| 31
| 2008-05-07
| 14878
| 4615
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | D11a1pes-8
| 35427
| mimosa
| -
| 2008-05-07
| 11186
| 10887
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1a18
| 35425
| mimosa
| -
| 2008-05-07
| 17679
| 19840
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1a17
| 35426
| mimosa
| -
| 2008-05-07
| 17725
| 19579
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | CXcyc-c2-QZ
| 5617
| sweetgum
| 62
| 2008-05-08
| 9570
| 5975
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | D11b1p-3
| 35428
| mimosa
| -
| 2008-05-07
| 10280
| 7014
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | X1d73_opt
| 24309
| redwood
| 67
| 2008-05-07
| 5447
| 14679
| 4
| 3400mb
| Gaussian 03
| Exotic
| 1st
| | C1hgo3-ccsd-tr
| 24311
| redwood
| 53
| 2008-05-07
| 4583
| 2449
| 1
| 1500mb
| Gaussian 03
| Coupled Cluster
| 1st
| | D11a1pes33
| 35481
| mimosa
| -
| 2008-05-08
| 2853
| 5307
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1Au25opt
| 5585
| sweetgum
| 95
| 2008-05-07
| 14102
| 53756
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | CXHNS-N-H
| 5628
| sweetgum
| 31
| 2008-05-09
| 4851
| 1513
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | DXz-10
| 24331
| redwood
| 70
| 2008-05-08
| 5425
| 15142
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DXaui4_sdd_adm
| 35434
| mimosa
| -
| 2008-05-08
| 5141
| 4592
| 2
| 900mb
| Gaussian 03
| Density-Functional
| none
| | DXc2
| 35433
| mimosa
| -
| 2008-05-08
| 9542
| 8278
| 2
| 800mb
| Gaussian 03
| Density-Functional
| none
| | DXdip4cistr11
| 24312
| redwood
| 88
| 2008-05-08
| 3928
| 3438
| 1
| 1500mb
| Gaussian 03
| Density-Functional
| none
| | E1a2ga-onm
| 24318
| redwood
| 82
| 2008-05-08
| 5100
| 8394
| 2
| 1600mb
| Gaussian 03
| Empirical
| 1st
| | D1ticl3_14cyc
| 5598
| sweetgum
| 76
| 2008-05-08
| 12810
| 39125
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1si16d4dArim1
| 35444
| mimosa
| -
| 2008-05-08
| 12959
| 13122
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | bl35510510.pbs
| 35465
| mimosa
| -
| 2008-05-08
| 9087
| 9031
| 1
| 1gb
| Unknown
|
|
| | CXtetra-QZ
| 5620
| sweetgum
| 52
| 2008-05-08
| 7999
| 4174
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | D14aLi2
| 35467
| mimosa
| -
| 2008-05-08
| 4308
| 5404
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | CX180deg-QZ
| 5618
| sweetgum
| 27
| 2008-05-08
| 6920
| 1896
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | CX0deg-QZ
| 5621
| sweetgum
| 65
| 2008-05-08
| 7979
| 5160
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | DXz_25
| 24330
| redwood
| 70
| 2008-05-08
| 5452
| 15265
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DXz_0
| 24329
| redwood
| 59
| 2008-05-08
| 5494
| 13026
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | D11a1p-9
| 35477
| mimosa
| -
| 2008-05-08
| 3934
| 3161
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes26
| 35479
| mimosa
| -
| 2008-05-08
| 4087
| 3434
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1p-10
| 35478
| mimosa
| -
| 2008-05-08
| 2877
| 2409
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1p-27
| 35475
| mimosa
| -
| 2008-05-08
| 4069
| 4056
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | X1DIM_1T
| 24338
| redwood
| 63
| 2008-05-08
| 5419
| 13563
| 4
| 3400mb
| Gaussian 03
| Exotic
| 1st
| | X2FBFBF_bh
| 24335
| redwood
| 49
| 2008-05-08
| 5451
| 10734
| 4
| 3400mb
| Gaussian 03
| Exotic
| 2nd
| | X1dCpdG_w8_BH
| 24341
| redwood
| 73
| 2008-05-08
| 5406
| 15704
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| | XXDIM_3_TD
| 24339
| redwood
| 43
| 2008-05-08
| 5422
| 9424
| 4
| 3400mb
| Gaussian 03
| Exotic
| none
| | D11a1pes21
| 35483
| mimosa
| -
| 2008-05-08
| 5006
| 4806
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes20
| 35482
| mimosa
| -
| 2008-05-08
| 8258
| 7334
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | CXcis-SNHNH-AT
| 5625
| sweetgum
| 99
| 2008-05-09
| 5071
| 5019
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | CXtrans-SNHNH-
| 5624
| sweetgum
| 49
| 2008-05-09
| 4860
| 2371
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | CXsnnh2-QZ
| 5627
| sweetgum
| 65
| 2008-05-09
| 5029
| 3284
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | CXHSN-N-H-atz
| 5626
| sweetgum
| 84
| 2008-05-09
| 5030
| 4221
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | D1ticl3_16lin
| 35529
| mimosa
| -
| 2008-05-09
| 3652
| 3462
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes25
| 35509
| mimosa
| -
| 2008-05-09
| 1509
| 4485
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | azo0_opt
| 35508
| mimosa
| -
| 2008-05-09
| 4849
| 3620
| 2
| 2000mb
| Unknown
|
|
| | XXVES_1NN_S1_A
| 5629
| sweetgum
| 23
| 2008-05-09
| 4197
| 1902
| 2
| 700mb
| Gaussian 03
| Exotic
| none
| | XXVES_1NN_S1_P
| 5630
| sweetgum
| 24
| 2008-05-09
| 4309
| 2027
| 2
| 700mb
| Gaussian 03
| Exotic
| none
| | DXz-50
| 24350
| redwood
| 67
| 2008-05-09
| 3934
| 10559
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | D2MgO-Au-dfpr
| 24355
| redwood
| 66
| 2008-05-09
| 3574
| 9474
| 4
| 3584mb
| Gaussian 03
| Density-Functional
| 2nd
| | XXts2_g31
| 5638
| sweetgum
| 94
| 2008-05-09
| 2466
| 2323
| 1
| 400mb
| Gaussian 03
| Exotic
| none
| | I1aui6_cisd
| 5633
| sweetgum
| 23
| 2008-05-09
| 3112
| 2813
| 4
| 1800mb
| Gaussian 03
| Configuration Interaction
| 1st
| | XX0
| 5640
| sweetgum
| 54
| 2008-05-09
| 1429
| 3107
| 4
| 1800mb
| Gaussian 03
| Exotic
| none
| | XXts2_g32
| 5639
| sweetgum
| 110
| 2008-05-09
| 2851
| 3138
| 1
| 400mb
| Gaussian 03
| Exotic
| none
| | D1a9
| 35533
| mimosa
| -
| 2008-05-09
| 1117
| 1061
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1a10
| 35534
| mimosa
| -
| 2008-05-09
| 1112
| 1054
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1ticl3_14lin
| 35545
| mimosa
| -
| 2008-05-09
| 276
| 251
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1t_16cyc
| 35539
| mimosa
| -
| 2008-05-09
| 1954
| 1870
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | DXca1_min1
| 35540
| mimosa
| -
| 2008-05-09
| 1835
| 1725
| 4
| 900mb
| Gaussian 03
| Density-Functional
| none
| | PXmp2_bst_cl1
| 35536
| mimosa
| -
| 2008-05-09
| 1118
| 1091
| 2
| 900mb
| Gaussian 03
| Many-body Perturbative
| none
| | PXmp2_bst_cl3
| 35537
| mimosa
| -
| 2008-05-09
| 1111
| 1079
| 2
| 900mb
| Gaussian 03
| Many-body Perturbative
| none
|
|
