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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
| 103
| 2007-09-22
| 34839
| 35751
| 1
| 3584mb
| Gaussian 03
| Density-Functional
| 2nd
| | IXGSlrndqds_ne
| 20124
| redwood
| 51
| 2007-12-18
| 34734
| 17600
| 1
| 800mb
| Gaussian 03
| Configuration Interaction
| none
| | C2MN3ccsdtbigf
| 20468
| redwood
| 21
| 2008-01-05
| 34711
| 7147
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C1cpd10bccsdt
| 20891
| redwood
| 45
| 2008-01-22
| 34726
| 15491
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1trip-180-631
| 21656
| redwood
| 22
| 2008-02-08
| 34704
| 7551
| 1
| 1500mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1cs-cl2-311
| 21722
| redwood
| 25
| 2008-02-09
| 34682
| 8736
| 1
| 1500mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1r-cl2so2-c2-
| 21721
| redwood
| 25
| 2008-02-09
| 34720
| 8595
| 1
| 1500mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1cpd11wccsdt
| 21804
| redwood
| 43
| 2008-02-11
| 34690
| 15082
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C2IPN1ccsdnbig
| 21806
| redwood
| 14
| 2008-02-11
| 34666
| 4961
| 1
| 1000mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | X1as42pdb1
| 21832
| redwood
| 97
| 2008-02-12
| 34688
| 33806
| 1
| 2500mb
| Gaussian 03
| Exotic
| 1st
| | myrun56
| 31874
| mimosa
| -
| 2008-02-12
| 780970
| 2135443
| 1
| 80mb
| Unknown
|
|
| | myrun64
| 31872
| mimosa
| -
| 2008-02-12
| 780377
| 2135564
| 1
| 80mb
| Unknown
|
|
| | myrun61
| 31869
| mimosa
| -
| 2008-02-12
| 779991
| 2134350
| 1
| 80mb
| Unknown
|
|
| | myrun62
| 31870
| mimosa
| -
| 2008-02-12
| 780007
| 2134300
| 1
| 80mb
| Unknown
|
|
| | myrun63
| 31871
| mimosa
| -
| 2008-02-12
| 780527
| 2135677
| 1
| 80mb
| Unknown
|
|
| | myrun55
| 31873
| mimosa
| -
| 2008-02-12
| 781296
| 2135747
| 1
| 80mb
| Unknown
|
|
| | C2EGDN3ccsdf
| 3699
| sweetgum
| 42
| 2008-02-13
| 127770
| 53796
| 1
| 450mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C2cisfox1ccsd6
| 3700
| sweetgum
| 45
| 2008-02-13
| 127765
| 57909
| 1
| 420mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C2PN1ccsdbignf
| 3709
| sweetgum
| 42
| 2008-02-13
| 127772
| 53055
| 1
| 450mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C1cpd10bccsddf
| 22028
| redwood
| 28
| 2008-02-18
| 34637
| 9593
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C2cpd10bccsddf
| 3805
| sweetgum
| 68
| 2008-02-20
| 127762
| 86858
| 1
| 450mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C2trafox1ccsd6
| 3810
| sweetgum
| 61
| 2008-02-20
| 127762
| 78366
| 1
| 450mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C1dadne3ccsd63
| 3809
| sweetgum
| 57
| 2008-02-20
| 127766
| 72777
| 1
| 420mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1hsnnh-rr-311
| 33018
| mimosa
| -
| 2008-03-04
| 598342
| 117614
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1cisfox2ccsd6
| 3950
| sweetgum
| 27
| 2008-02-25
| 127760
| 34507
| 1
| 450mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1CCSDT-Ring
| 22295
| redwood
| 35
| 2008-03-04
| 34677
| 12228
| 1
| 1000mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1CCSDT-Ring-2
| 22308
| redwood
| 28
| 2008-03-04
| 34702
| 9868
| 1
| 1000mb
| Gaussian 03
| Coupled Cluster
| 1st
| | X1AT_w4_BHH
| 22625
| redwood
| 76
| 2008-03-13
| 34863
| 106261
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| | D1dCpdG_w8_dif
| 22702
| redwood
| 77
| 2008-03-14
| 34875
| 107588
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| 1st
| | D1dG_HpdCH
| 22829
| redwood
| 75
| 2008-03-16
| 34868
| 105046
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| 1st
| | C1r-nsnh2-6311
| 33474
| mimosa
| -
| 2008-03-19
| 458837
| 115242
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | D2nit_s_sf
| 22904
| redwood
| 98
| 2008-03-18
| 34732
| 33940
| 1
| 1500mb
| Gaussian 03
| Density-Functional
| 2nd
| | C1EN2ccsdtcctz
| 23104
| redwood
| 33
| 2008-03-22
| 34707
| 11588
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1cpd9bccsdnt
| 33880
| mimosa
| -
| 2008-03-28
| 390544
| 194353
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1trafox2ccsd6
| 23227
| redwood
| 23
| 2008-03-31
| 34689
| 7981
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1cpd8cccsdt
| 33957
| mimosa
| -
| 2008-03-31
| 363814
| 156311
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1IPN1ccsdbig4
| 23277
| redwood
| 19
| 2008-04-01
| 34668
| 6599
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C2PN1ccsdbignf
| 23280
| redwood
| 17
| 2008-04-01
| 34731
| 5944
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | dmsol_2000-2.pb
| 23298
| redwood
| 51
| 2008-04-01
| 34694
| 35401
| 2
| 1gb
| Unknown
|
|
| | C2IPN3ccsdbigf
| 23317
| redwood
| 18
| 2008-04-01
| 34673
| 6178
| 1
| 1200mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C1dadne1ccsd
| 23319
| redwood
| 23
| 2008-04-01
| 34709
| 8027
| 1
| 1200mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C2EGDN3ccsdf
| 23315
| redwood
| 17
| 2008-04-01
| 34691
| 5992
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C2EGDN2ccsdf
| 23318
| redwood
| 16
| 2008-04-01
| 34658
| 5377
| 1
| 1200mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C1FA2CCSD631PL
| 4731
| sweetgum
| 19
| 2008-04-01
| 127773
| 24835
| 1
| 450mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1FA1CCSD631PL
| 4739
| sweetgum
| 18
| 2008-04-02
| 127771
| 22807
| 1
| 450mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1FA5CCSD631PL
| 4742
| sweetgum
| 20
| 2008-04-02
| 127769
| 25348
| 1
| 450mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1FA3CCSD631PL
| 4743
| sweetgum
| 27
| 2008-04-02
| 127764
| 35070
| 1
| 450mb
| Gaussian 03
| Coupled Cluster
| 1st
| | X1DIM_2
| 23407
| redwood
| 73
| 2008-04-04
| 34887
| 102199
| 4
| 3400mb
| Gaussian 03
| Exotic
| 1st
| | X1DIM_4
| 23414
| redwood
| 65
| 2008-04-04
| 34889
| 90768
| 4
| 3400mb
| Gaussian 03
| Exotic
| 1st
| | C1cpd10bccsddf
| 23512
| redwood
| 33
| 2008-04-07
| 34727
| 11453
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1stra-HNSN-2d
| 34486
| mimosa
| -
| 2008-04-13
| 257819
| 91425
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1cyc-TZT-R
| 4941
| sweetgum
| 42
| 2008-04-13
| 127742
| 54175
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1cyc-c2-r-TZ
| 34502
| mimosa
| -
| 2008-04-13
| 248712
| 86823
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1cyc-c2-r-3df
| 34508
| mimosa
| -
| 2008-04-13
| 246226
| 92401
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1fq-R-cyc-non
| 34512
| mimosa
| -
| 2008-04-13
| 243856
| 87796
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1r-nsnh2-2df
| 34516
| mimosa
| -
| 2008-04-13
| 246853
| 74965
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C10-180r
| 23665
| redwood
| 22
| 2008-04-13
| 34679
| 7535
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 1st
| | X1DIM_3
| 23681
| redwood
| 74
| 2008-04-14
| 34848
| 102862
| 4
| 3400mb
| Gaussian 03
| Exotic
| 1st
| | D1dGpdC_W8raDi
| 23711
| redwood
| 83
| 2008-04-14
| 34834
| 115025
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| 1st
| | C10-r-sh2n2
| 4978
| sweetgum
| 52
| 2008-04-15
| 127739
| 65847
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1trip-0-311
| 4983
| sweetgum
| 25
| 2008-04-15
| 127735
| 32456
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1trip-snn-h2-
| 4982
| sweetgum
| 36
| 2008-04-15
| 127736
| 46126
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C10-180-r-sh2n
| 4976
| sweetgum
| 28
| 2008-04-15
| 127741
| 35577
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C2trip-180-2df
| 4981
| sweetgum
| 36
| 2008-04-15
| 127737
| 45759
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C1trip-non-cyc
| 4984
| sweetgum
| 22
| 2008-04-15
| 127734
| 28162
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | P1nitro-addsca
| 34639
| mimosa
| -
| 2008-04-15
| 239826
| 86976
| 2
| 800mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | D1a2ga-znl
| 23758
| redwood
| 80
| 2008-04-15
| 34697
| 55248
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| | C2trans-SNHNH-
| 23786
| redwood
| 25
| 2008-04-16
| 34641
| 8627
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C1trafox1ccsd6
| 23800
| redwood
| 14
| 2008-04-16
| 34653
| 4695
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1cpd12cccsdtn
| 23819
| redwood
| 53
| 2008-04-17
| 5124
| 2730
| 1
| 800mb
| Gaussian 03
| Coupled Cluster
| 1st
| | X1DIM_1
| 23873
| redwood
| 80
| 2008-04-18
| 34881
| 112190
| 4
| 3400mb
| Gaussian 03
| Exotic
| 1st
| | C1RRR-0
| 5087
| sweetgum
| 20
| 2008-04-18
| 127740
| 26108
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1ccsd-cyclic-
| 5083
| sweetgum
| 30
| 2008-04-18
| 127745
| 38751
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1ccsd-cyclic-
| 5084
| sweetgum
| 45
| 2008-04-18
| 127743
| 56887
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1RRR-0-180
| 5086
| sweetgum
| 24
| 2008-04-18
| 127742
| 30804
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C2fq-HNS-n-h-r
| 5082
| sweetgum
| 17
| 2008-04-18
| 127734
| 22045
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C1RRR-180
| 5088
| sweetgum
| 18
| 2008-04-18
| 127738
| 23371
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C2NSN-H2-RRR-3
| 5089
| sweetgum
| 40
| 2008-04-18
| 127737
| 51539
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C1r-HNNSHN-REA
| 34797
| mimosa
| -
| 2008-04-19
| 205552
| 19955
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1nsnh2-rR-TZ
| 34795
| mimosa
| -
| 2008-04-19
| 207238
| 66480
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1r-snhnh-TZ
| 34796
| mimosa
| -
| 2008-04-19
| 206810
| 26620
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | dmsol_600-3.pbs
| 23896
| redwood
| 51
| 2008-04-19
| 34685
| 35271
| 2
| 1gb
| Unknown
|
|
| | dmsol_2000-3.pb
| 23897
| redwood
| 51
| 2008-04-19
| 34648
| 35305
| 2
| 1gb
| Unknown
|
|
| | C2NSN-H2-r-311
| 23930
| redwood
| 35
| 2008-04-21
| 34632
| 12051
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | D1a1gats10
| 23974
| redwood
| 72
| 2008-04-21
| 34687
| 49826
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| | C2ccsdt6agf
| 24024
| redwood
| 72
| 2008-04-22
| 4886
| 3533
| 1
| 880mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C1trafox3ccsd6
| 24023
| redwood
| 42
| 2008-04-22
| 34726
| 14612
| 1
| 880mb
| Gaussian 03
| Coupled Cluster
| 1st
| | D1vp
| 34934
| mimosa
| -
| 2008-04-23
| 172122
| 170077
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | C1FA5CCSD6312P
| 34951
| mimosa
| -
| 2008-04-23
| 157722
| 8472
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1FA3CCSD6312P
| 34949
| mimosa
| -
| 2008-04-23
| 161680
| 9847
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1FA1CCSD6312P
| 34947
| mimosa
| -
| 2008-04-23
| 167517
| 11388
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1FA2CCSD6312P
| 34948
| mimosa
| -
| 2008-04-23
| 161472
| 11536
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1FA4CCSD6312P
| 34950
| mimosa
| -
| 2008-04-23
| 160471
| 11007
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1hsnnh-Rr-311
| 34961
| mimosa
| -
| 2008-04-23
| 147613
| 6442
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1nSnH2-rR-2df
| 34960
| mimosa
| -
| 2008-04-23
| 149716
| 8541
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1cyTZ-H-on-R
| 34968
| mimosa
| -
| 2008-04-23
| 145825
| 8287
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | X1dTpdT
| 34982
| mimosa
| -
| 2008-04-24
| 162980
| 155016
| 4
| 500mb
| Gaussian 03
| Exotic
| 1st
| | D1nn3
| 34987
| mimosa
| -
| 2008-04-24
| 161500
| 162106
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | X1ATAT_w11BHH
| 24060
| redwood
| 80
| 2008-04-25
| 34844
| 111736
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| | H2d6sr2cdHFf
| 35042
| mimosa
| -
| 2008-04-26
| 143207
| 129084
| 4
| 900mb
| Gaussian 03
| Hartree-Fock
| 2nd
| | D1lala
| 35088
| mimosa
| -
| 2008-04-28
| 127603
| 126395
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | X1AT_AT_BHH
| 24127
| redwood
| 71
| 2008-04-28
| 32744
| 93050
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| | DX3b1lbs
| 24140
| redwood
| 91
| 2008-04-28
| 34861
| 126217
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | DX3a2-3b2-lbs
| 24141
| redwood
| 91
| 2008-04-28
| 34855
| 127335
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | D1dme4cu
| 35159
| mimosa
| -
| 2008-04-29
| 106845
| 107117
| 1
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D1a20
| 35161
| mimosa
| -
| 2008-04-29
| 108758
| 106606
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | runmd_2.0_rce.g
| 24159
| redwood
| 97
| 2008-04-29
| 34859
| 135264
| 4
| 2gb
| Unknown
|
|
| | P1b-fme2
| 24165
| redwood
| 66
| 2008-04-30
| 34713
| 22740
| 1
| 1024mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | C1true-HSNN-2d
| 35185
| mimosa
| -
| 2008-04-30
| 95091
| 6545
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1r-snhnh-3df
| 35183
| mimosa
| -
| 2008-04-30
| 94006
| 4563
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1r-HNN-S-H-N-
| 35182
| mimosa
| -
| 2008-04-30
| 98448
| 5136
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1Star-N-Cente
| 35186
| mimosa
| -
| 2008-04-30
| 95040
| 4220
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | D2ticl3_8lin_6
| 35221
| mimosa
| -
| 2008-05-02
| 94933
| 56181
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 2nd
| | D2idme4cu11
| 24205
| redwood
| 96
| 2008-05-02
| 34695
| 33321
| 1
| 1200mb
| Gaussian 03
| Density-Functional
| 2nd
| | C1hgo3-ccsd-c2
| 24206
| redwood
| 24
| 2008-05-02
| 34700
| 8294
| 1
| 1500mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C2cisfox1ccsd6
| 35235
| mimosa
| -
| 2008-05-02
| 90179
| 32802
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | C1Rr-OOSCL-TZ
| 35238
| mimosa
| -
| 2008-05-02
| 86135
| 6108
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1SNNH-rR-2df2
| 35269
| mimosa
| -
| 2008-05-04
| 7912
| 2129
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | D11a1p2-34
| 5535
| sweetgum
| 71
| 2008-05-06
| 57208
| 81551
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | C1tri-clso2-TZ
| 35260
| mimosa
| -
| 2008-05-04
| 75763
| 3451
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | D1dmecu8
| 35275
| mimosa
| -
| 2008-05-04
| 68918
| 67044
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1Ag57
| 24238
| redwood
| 94
| 2008-05-03
| 34899
| 131196
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | D1idme-4cu11
| 24241
| redwood
| 97
| 2008-05-04
| 34692
| 33504
| 1
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | C1rR-trn-snhnh
| 24251
| redwood
| 25
| 2008-05-04
| 34634
| 8521
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1r-hns-n-h-31
| 35267
| mimosa
| -
| 2008-05-04
| 39043
| 3716
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1osocl-TZ
| 35261
| mimosa
| -
| 2008-05-04
| 78798
| 5992
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1rRr-nsnh2-TZ
| 35264
| mimosa
| -
| 2008-05-04
| 60586
| 1598
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1rrR-nSnH2-31
| 35263
| mimosa
| -
| 2008-05-04
| 78139
| 3490
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1rRr-SNN-H2-3
| 35265
| mimosa
| -
| 2008-05-04
| 54026
| 2599
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1R-HSN-N-H-3d
| 35266
| mimosa
| -
| 2008-05-04
| 50507
| 3838
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1Star-N-C-2df
| 35268
| mimosa
| -
| 2008-05-04
| 9939
| 3409
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | D1dmecu12
| 35276
| mimosa
| -
| 2008-05-04
| 67462
| 66462
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | CXCCSD2
| 24256
| redwood
| 22
| 2008-05-05
| 34729
| 7507
| 1
| 3000mb
| Gaussian 03
| Coupled Cluster
| none
| | rnapolsoldm.pbs
| 24253
| redwood
| 51
| 2008-05-04
| 34636
| 35221
| 2
| 1gb
| Unknown
|
|
| | D1Au57al2dz
| 24248
| redwood
| 93
| 2008-05-04
| 34731
| 64937
| 2
| 1600mb
| Gaussian 03
| Density-Functional
| 1st
| | C1rRR-trans-sn
| 24250
| redwood
| 20
| 2008-05-04
| 34645
| 6812
| 1
| 900mb
| Gaussian 03
| Coupled Cluster
| 1st
| | D1GC14AU-STG
| 24278
| redwood
| 72
| 2008-05-05
| 34901
| 100730
| 4
| 3584mb
| Gaussian 03
| Density-Functional
| 1st
| | D1Au57bl2dz
| 24257
| redwood
| 93
| 2008-05-05
| 34897
| 130074
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | CXCCSD1
| 24255
| redwood
| 23
| 2008-05-05
| 34733
| 7902
| 1
| 3000mb
| Gaussian 03
| Coupled Cluster
| none
| | D11a1pes2
| 5500
| sweetgum
| 90
| 2008-05-05
| 67534
| 122133
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1pes1a1
| 5499
| sweetgum
| 90
| 2008-05-05
| 67626
| 121744
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11b1pes
| 5501
| sweetgum
| 90
| 2008-05-05
| 67000
| 120910
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1vp21
| 35332
| mimosa
| -
| 2008-05-06
| 60972
| 60645
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | X1dGpdC_W8BH
| 24268
| redwood
| 77
| 2008-05-05
| 30876
| 95137
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| | P15sc1-nitro
| 35334
| mimosa
| -
| 2008-05-06
| 60191
| 23393
| 2
| 500mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | X1TA_w4_BHH_a
| 24272
| redwood
| 83
| 2008-05-05
| 29613
| 98524
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| | X1mGmC_BHaH
| 35329
| mimosa
| -
| 2008-05-05
| 62241
| 60211
| 4
| 800mb
| Gaussian 03
| Exotic
| 1st
| | DX4a1lbs
| 24284
| redwood
| 92
| 2008-05-06
| 34832
| 127640
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | D1diatrizoate
| 5529
| sweetgum
| 32
| 2008-05-06
| 59889
| 38835
| 2
| 500mb
| Gaussian 03
| Density-Functional
| 1st
| | DX4b1lbs
| 24287
| redwood
| 91
| 2008-05-06
| 34830
| 126625
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | D11a1p2-30
| 5539
| sweetgum
| 83
| 2008-05-06
| 55813
| 92304
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1p2-33
| 5536
| sweetgum
| 72
| 2008-05-06
| 56784
| 81567
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1p2-31
| 5538
| sweetgum
| 84
| 2008-05-06
| 56117
| 94018
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1p2-29
| 5540
| sweetgum
| 84
| 2008-05-06
| 55705
| 93449
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1p2-35
| 5534
| sweetgum
| 67
| 2008-05-06
| 57215
| 76751
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1p2-32
| 5537
| sweetgum
| 71
| 2008-05-06
| 56447
| 80493
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | runmd_7_hice.go
| 24290
| redwood
| 96
| 2008-05-06
| 34817
| 266627
| 8
| 5376mb
| Unknown
|
|
| | D11b1p-36
| 5541
| sweetgum
| 80
| 2008-05-06
| 58212
| 93512
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | X1TA_TA_w11B
| 24300
| redwood
| 72
| 2008-05-07
| 30701
| 88668
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| | D11b1p-31
| 5546
| sweetgum
| 90
| 2008-05-06
| 54176
| 97249
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11b1p-32
| 5545
| sweetgum
| 83
| 2008-05-06
| 54549
| 90790
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11b1p-34
| 5543
| sweetgum
| 82
| 2008-05-06
| 54738
| 90267
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11b1p-33
| 5544
| sweetgum
| 81
| 2008-05-06
| 54643
| 88219
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11b1p-35
| 5542
| sweetgum
| 81
| 2008-05-06
| 54882
| 88906
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | C1NSNH2-R-ADT
| 5574
| sweetgum
| 19
| 2008-05-07
| 50974
| 9718
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1HSN-N-H-rrr-
| 5566
| sweetgum
| 18
| 2008-05-07
| 51465
| 9218
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1HSN-N-H-R-TZ
| 5565
| sweetgum
| 21
| 2008-05-07
| 52057
| 10703
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1HSN-N-H-RrR-
| 5569
| sweetgum
| 18
| 2008-05-07
| 50824
| 9152
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C1HNN-S-H-R-TZ
| 5570
| sweetgum
| 24
| 2008-05-07
| 49034
| 11530
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 1st
| | C2fq-HSNNH-Rr-
| 5576
| sweetgum
| 43
| 2008-05-07
| 44458
| 19136
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| 2nd
| | D1a18
| 35425
| mimosa
| -
| 2008-05-07
| 47195
| 48243
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1a17
| 35426
| mimosa
| -
| 2008-05-07
| 47236
| 47100
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1Au25opt
| 5585
| sweetgum
| 96
| 2008-05-07
| 43682
| 167359
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | DXdip4cistr11
| 24312
| redwood
| 94
| 2008-05-08
| 33491
| 31406
| 1
| 1500mb
| Gaussian 03
| Density-Functional
| none
| | D1si16d4dArim1
| 35444
| mimosa
| -
| 2008-05-08
| 42486
| 42288
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | H1vin_mc1
| 5662
| sweetgum
| 58
| 2008-05-10
| 22782
| 13291
| 1
| 400mb
| Gaussian 03
| Hartree-Fock
| 1st
| | D1ATAT_w11a1_d
| 24342
| redwood
| 72
| 2008-05-08
| 28784
| 82719
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| 1st
| | X1DIM_1T
| 24338
| redwood
| 87
| 2008-05-08
| 34819
| 121271
| 4
| 3400mb
| Gaussian 03
| Exotic
| 1st
| | X2FBFBF_bh
| 24335
| redwood
| 24
| 2008-05-08
| 34851
| 32853
| 4
| 3400mb
| Gaussian 03
| Exotic
| 2nd
| | X1dCpdG_w8_BH
| 24341
| redwood
| 73
| 2008-05-08
| 34806
| 101470
| 4
| 3500mb
| Gaussian 03
| Exotic
| 1st
| | XXDIM_3_TD
| 24339
| redwood
| 69
| 2008-05-08
| 34822
| 96114
| 4
| 3400mb
| Gaussian 03
| Exotic
| none
| | XXDIM_4_TD
| 24354
| redwood
| 84
| 2008-05-09
| 31425
| 105396
| 4
| 3400mb
| Gaussian 03
| Exotic
| none
| | CXNSN-H2-QZ
| 5657
| sweetgum
| 53
| 2008-05-10
| 25339
| 13526
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | DX2b1lbs
| 24352
| redwood
| 40
| 2008-05-09
| 3089
| 4885
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | DX2a1lbs
| 24351
| redwood
| 80
| 2008-05-09
| 7564
| 24340
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| none
| | XXts2_g31
| 5638
| sweetgum
| 64
| 2008-05-09
| 32046
| 20412
| 1
| 400mb
| Gaussian 03
| Exotic
| none
| | D1Cd9Se9betsta
| 5681
| sweetgum
| 58
| 2008-05-11
| 12203
| 28133
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1a9
| 35533
| mimosa
| -
| 2008-05-09
| 30631
| 30420
| 2
| 800mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1pes26
| 35560
| mimosa
| -
| 2008-05-10
| 15074
| 11005
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1p-24
| 35561
| mimosa
| -
| 2008-05-10
| 10001
| 7262
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11b1p-3
| 35563
| mimosa
| -
| 2008-05-10
| 8805
| 8526
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | H1vin_mc2
| 5664
| sweetgum
| 50
| 2008-05-10
| 24830
| 12382
| 1
| 400mb
| Gaussian 03
| Hartree-Fock
| 1st
| | H1Au57ahfock
| 24395
| redwood
| 99
| 2008-05-10
| 15578
| 61574
| 4
| 3200mb
| Gaussian 03
| Hartree-Fock
| 1st
| | D1Au57bl2dz
| 5670
| sweetgum
| 80
| 2008-05-10
| 17419
| 55851
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1Au57al2dz
| 5669
| sweetgum
| 79
| 2008-05-10
| 17777
| 56481
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | D1Au57ahfock
| 5671
| sweetgum
| 89
| 2008-05-10
| 10933
| 38953
| 4
| 1800mb
| Gaussian 03
| Density-Functional
| 1st
| | H1Au25hfock
| 5668
| sweetgum
| 92
| 2008-05-10
| 17416
| 63773
| 4
| 1800mb
| Gaussian 03
| Hartree-Fock
| 1st
| | H1Au25hfock
| 24394
| redwood
| 69
| 2008-05-10
| 3459
| 9514
| 4
| 3200mb
| Gaussian 03
| Hartree-Fock
| 1st
| | I1aui6_cisd
| 5697
| sweetgum
| 12
| 2008-05-11
| 12009
| 5937
| 4
| 1800mb
| Gaussian 03
| Configuration Interaction
| 1st
| | CXHSN-N-H-QZ
| 5685
| sweetgum
| 56
| 2008-05-11
| 14135
| 7894
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | D1Ag19
| 35581
| mimosa
| -
| 2008-05-11
| 8786
| 8178
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | D1nn2
| 35580
| mimosa
| -
| 2008-05-11
| 8832
| 6893
| 2
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | P1aui6_dz_mp2
| 5693
| sweetgum
| 58
| 2008-05-11
| 7959
| 18555
| 4
| 1800mb
| Gaussian 03
| Many-body Perturbative
| 1st
| | X1aui6_cis
| 5692
| sweetgum
| 36
| 2008-05-11
| 11750
| 17109
| 4
| 1800mb
| Gaussian 03
| Exotic
| 1st
| | D1Ag19opt
| 24424
| redwood
| 43
| 2008-05-12
| 6956
| 11956
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | DX7x6
| 24409
| redwood
| 64
| 2008-05-11
| 7658
| 19719
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | DX8x6
| 24410
| redwood
| 55
| 2008-05-11
| 2850
| 6249
| 4
| 3500mb
| Gaussian 03
| Density-Functional
| none
| | D1Ag13opt
| 24426
| redwood
| 38
| 2008-05-12
| 5007
| 7645
| 4
| 3200mb
| Gaussian 03
| Density-Functional
| 1st
| | DXc2
| 35588
| mimosa
| -
| 2008-05-11
| 8788
| 7420
| 2
| 900mb
| Gaussian 03
| Density-Functional
| none
| | D11a1p-10
| 35626
| mimosa
| -
| 2008-05-12
| 6619
| 5506
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | D11a1p-9
| 35628
| mimosa
| -
| 2008-05-12
| 8274
| 7402
| 2
| 400mb
| Gaussian 03
| Density-Functional
| 1st
| | H1ts2x_met
| 5712
| sweetgum
| 67
| 2008-05-12
| 6600
| 4423
| 1
| 400mb
| Gaussian 03
| Hartree-Fock
| 1st
| | H1ts1x_met
| 5711
| sweetgum
| 61
| 2008-05-12
| 6614
| 4037
| 1
| 400mb
| Gaussian 03
| Hartree-Fock
| 1st
| | XX7x6
| 24420
| redwood
| 49
| 2008-05-12
| 8122
| 15842
| 4
| 3500mb
| Gaussian 03
| Exotic
| none
| | bl35510510.pbs
| 35638
| mimosa
| -
| 2008-05-12
| 7395
| 7349
| 1
| 1gb
| Unknown
|
|
| | DXTD_B3LYP_FB_
| 5716
| sweetgum
| 57
| 2008-05-12
| 6123
| 6997
| 2
| 500mb
| Gaussian 03
| Density-Functional
| none
| | DXTD_B3LYP_FB_
| 5715
| sweetgum
| 71
| 2008-05-12
| 7202
| 10228
| 2
| 500mb
| Gaussian 03
| Density-Functional
| none
| | XXTD_Ioprom2H2
| 5714
| sweetgum
| 50
| 2008-05-12
| 7203
| 7208
| 2
| 500mb
| Gaussian 03
| Exotic
| none
| | D2aui8_10_b
| 5717
| sweetgum
| 56
| 2008-05-12
| 1636
| 3655
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 2nd
| | XXVES_1NN_S2_P
| 5719
| sweetgum
| 122
| 2008-05-12
| 1894
| 4623
| 2
| 700mb
| Gaussian 03
| Exotic
| none
| | XXVES_1NN_S2_A
| 5718
| sweetgum
| 52
| 2008-05-12
| 4997
| 5240
| 2
| 700mb
| Gaussian 03
| Exotic
| none
| | D1rbcl
| 35646
| mimosa
| -
| 2008-05-12
| 2576
| 2524
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | CXHSN-N-H-QZ
| 5722
| sweetgum
| 67
| 2008-05-12
| 3548
| 2388
| 1
| 400mb
| Gaussian 03
| Coupled Cluster
| none
| | D1cscl
| 35647
| mimosa
| -
| 2008-05-12
| 2575
| 2499
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | DXca1_min1
| 35648
| mimosa
| -
| 2008-05-12
| 2473
| 2207
| 4
| 900mb
| Gaussian 03
| Density-Functional
| none
| | D1aui6_dz_nosy
| 5723
| sweetgum
| 25
| 2008-05-12
| 2990
| 3018
| 4
| 900mb
| Gaussian 03
| Density-Functional
| 1st
| | XX8x6
| 24432
| redwood
| 152
| 2008-05-12
| 877
| 5317
| 4
| 3500mb
| Gaussian 03
| Exotic
| none
|
|
