Results from an EMSL Arrows Request
Making molecular modeling accessible by combining NWChem, databases, web APIs (https://arrows.emsl.pnnl.gov/api), and email (arrows@emsl.pnnl.gov)
#chemdb_queue_nwchem - version 1.0
queue_entry fetched finished stopped eap_calculation machine_type queue_name label::
224153 (zip)(remove) 1 yes no no myconstance nwchem nwchem-952.nw H4C1.out01 1556657432.322457
224207 (zip)(remove) 1 yes no no david nwchem nwchem-452.nw test_input 1556905897.742252
264817 (remove) 0 no no no Harsono nwchem nwchem-937.nw Cu53Ta47.out00 for Harsono curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Samsung/Cu53Ta47-scoord9 1569448407.889428
265408 (remove) 1 no no no constancetsen nwchem nwchem-149.nw O3La2 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Tsen/O3La2 1572372177.818173
265466 (remove) 1 no no no constancetsen nwchem nwchem-60.nw NWChem Job #60 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Tsen/O56La32_LP-freeze 1572977452.585427
265467 (remove) 1 no no no constancetsen nwchem nwchem-382.nw NWChem Job #382 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Tsen/O56Lu32_LP-freeze 1572977721.921528
265599 (remove) 1 no no no constancetsen nwchem nwchem-777.nw NWChem Job #777 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Tsen/O56Y32_LP-phonon 1573577865.119871
265600 (remove) 1 no no no constancetsen nwchem nwchem-989.nw NWChem Job #989 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Tsen/O56Tm32_LP-phonon 1573577890.717000
265601 (remove) 1 no no no constancetsen nwchem nwchem-312.nw NWChem Job #312 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Tsen/O56Tb32_LP-phonon 1573577914.200573
265602 (remove) 1 no no no constancetsen nwchem nwchem-967.nw NWChem Job #967 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Tsen/O56Sm32_LP-phonon 1573577942.619535
265603 (remove) 1 no no no constancetsen nwchem nwchem-966.nw NWChem Job #966 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Tsen/O56Pr32_LP-phonon 1573577970.163803
265604 (remove) 1 no no no constancetsen nwchem nwchem-828.nw NWChem Job #828 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Tsen/O56Nd32_LP-phonon 1573577998.286070
265605 (remove) 1 no no no constancetsen nwchem nwchem-425.nw NWChem Job #425 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Tsen/O56Lu32_LP-phonon 1573578026.651552
265606 (remove) 1 no no no constancetsen nwchem nwchem-650.nw NWChem Job #650 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Tsen/O56Er32_LP-phonon 1573578050.824304
265607 (remove) 1 no no no constancetsen nwchem nwchem-504.nw NWChem Job #504 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Tsen/O56Dy32_LP-phonon 1573578079.266553
265608 (remove) 1 no no no constancetsen nwchem nwchem-542.nw NWChem Job #542 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Tsen/O56Ce32_LP-phonon 1573578099.965833
265776 (remove) 1 no no no constancetsen nwchem nwchem-168.nw NWChem Job #168 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Tsen/O8Tb4_F-phonon_30hr 1574203896.409885
266022 (remove) 1 no no no eric-test nwchem nwchem-49.nw mytest curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Other/C1H4Pt27-aimdmm 1578077984.738249
266035 (remove) 0 no no no cascade nwchem nwchem-9635.nw Neeraj2 Test2 curdir=WE33234:~/Projects/00CME/0AMD/ArrowsTest 1578379198.901604
294078 (remove) 1 no no no harsono nwchem nwchem-367.nw Al27Cu27.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Eric/Samsung/Harsono/Al27Cu27-model-2meta_stage 1589493605.139339
294079 (remove) 1 no no no harsono nwchem nwchem-460.nw Al27Cu27.out01 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Eric/Samsung/Harsono/Al27Cu27-model-2meta_stage QWAIT:: 294078 ::QWAIT 1589493611.474321
294080 (remove) 2 no no no harsono nwchem nwchem-791.nw Al27Cu27.out02 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Eric/Samsung/Harsono/Al27Cu27-model-2meta_stage QWAIT:: 294079 ::QWAIT 1589493614.518695
294081 (remove) 2 no no no harsono nwchem nwchem-654.nw Al27Cu27.out03 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Eric/Samsung/Harsono/Al27Cu27-model-2meta_stage QWAIT:: 294080 ::QWAIT 1589493617.634715
294082 (remove) 0 no no no harsono nwchem nwchem-923.nw Al27Cu27.out04 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Eric/Samsung/Harsono/Al27Cu27-model-2meta_stage QWAIT:: 294081 ::QWAIT 1589493620.783683
294083 (remove) 0 no no no harsono nwchem nwchem-919.nw Al27Cu27.out05 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Eric/Samsung/Harsono/Al27Cu27-model-2meta_stage QWAIT:: 294082 ::QWAIT 1589493627.106682
294084 (remove) 0 no no no harsono nwchem nwchem-659.nw Al27Cu27.out06 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Eric/Samsung/Harsono/Al27Cu27-model-2meta_stage QWAIT:: 294083 ::QWAIT 1589493642.251826
294092 (remove) 1 no no no harsono nwchem nwchem-52.nw Cu74Ta80.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Eric/Samsung/New/pspw_pbe_Cu74Ta80-meta-1 1589820776.131007
294093 (remove) 2 no no no harsono nwchem nwchem-659.nw Cu76Ta96.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Eric/Samsung/New/pspw_pbe_Cu76Ta96-aimd-1 1589821845.816656
294111 (remove) 1 no no no harsono nwchem nwchem-757.nw NWChem Job #757 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Eric/Samsung/New/pspw_pbe_Cu53Ta47-meta-1 1590431438.397925
672272 (remove) 0 no no no toobig nwchem nwchem-606.nw AlCl4nPyCl 1627288401.406624
679350 (remove) 0 no no no qsharp nwchem tifany-135017.nw curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/ForTifany/tifany-135017 submit_machine:we34304:submit_machine submit_dir:/Users/bylaska/Projects/Tratnyek/ForTifany/tifany-135017:submit_dir 1637943014.692470
718369 (remove) 0 no no no qsharp nwchem tifany-152136.nw curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/ForTifany/tifany-152136 submit_machine:we34304:submit_machine submit_dir:/Volumes/LaCie/Projects/Tratnyek/ForTifany/tifany-152136:submit_dir 1648229904.134934
1221739 (remove) 1 no no no dtahoma nwchem nwchem-149.nw NWChem Job #149 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Ru/goethite_Ru93_m4H_mult5_dftu_relaxed_run2 1680912116.222696
1221740 (remove) 1 running no no dtahoma nwchem nwchem-781.nw NWChem Job #781 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Ru/goethite_Ru93_m4H_mult5_dftu_relaxed_run2 1680912484.802078
1221741 (remove) 1 running no no dtahoma nwchem nwchem-536.nw H23O48Fe23Ru1.out00 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Ru/goethite_Ru82_mH69_mult2_dftu 1680913275.915570
1223064 (remove) 1 running no no dtahoma nwchem nwchem-835.nw NWChem Job #835 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Ru/goethite_Ru93_m4H_mult5_dftu_relaxed_run3 1681152295.074942
1229924 (remove) 1 no no no stahoma nwchem nwchem-258.nw O128Mg64Si32.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/dry-surfaces/surf-010-M1 1681581523.233089
1231469 (remove) 1 no no no dcori nwchem nwchem-2.nw NWChem Job #2 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/surface-H12C4O68Zn64-0001-EG-opt 1681852051.732507
1231470 (remove) 0 no no no dcori nwchem nwchem-975.nw NWChem Job #975 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/surface-H12C4O68Zn64-0001-EG-opt QWAIT:: 1231469 ::QWAIT 1681852078.371726
1231471 (remove) 1 no no no dcori nwchem nwchem-736.nw NWChem Job #736 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/surface-H12C4O68Zn64-0001-EG-opt 1681888146.330085
1231914 (remove) 1 no no no dtahoma nwchem nwchem-952.nw H64O128Fe64.out00 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/antiferromagnetic_dftu_relaxed 1682015033.461449
1231915 (remove) 1 no no no dtahoma nwchem nwchem-136.nw H64O128Fe64.out00 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/ferrimagnetic_dftu_relaxed 1682015644.436713
1231918 (remove) 1 running no no dtahoma nwchem nwchem-759.nw H64O128Fe64.out00 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/antiferromagnetic_dftu_relaxed 1682028001.512340
1231919 (remove) 1 running no no dtahoma nwchem nwchem-230.nw H64O128Fe64.out01 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/ferrimagnetic_dftu_relaxed 1682033675.201882
1232587 (remove) 1 running no no stahoma nwchem nwchem-692.nw NWChem Job #692 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/surface-H12C4O68Zn64-0001-EG-opt 1682114284.502450
1233261 (remove) 1 no no no dtahoma nwchem nwchem-342.nw NWChem Job #342 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/unit_cell_optimization 1682379917.307110
1233267 (remove) 1 running no no dtahoma nwchem nwchem-675.nw NWChem Job #675 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/AFM_unit_cell_optimization 1682440155.997352
1233269 (remove) 1 no no no dtahoma nwchem nwchem-233.nw NWChem Job #233 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/FM_unit_cell_optimization 1682444649.140956
1271103 (remove) 1 no no no stahoma nwchem nwchem-948.nw NWChem Job #948 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/surface-H12C4O68Zn64-10m10-EG-opt-lda 1683760864.292836
1287725 (remove) 1 no no no stahoma nwchem nwchem-357.nw NWChem Job #357 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/hydrated-surfaces/surf-021 QWAIT:: 1287724 ::QWAIT 1684088637.840784
1287726 (remove) 0 no no no stahoma nwchem nwchem-313.nw NWChem Job #313 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/hydrated-surfaces/surf-021 QWAIT:: 1287725 ::QWAIT 1684088645.845385
1288828 (remove) 1 no no no dtahoma nwchem nwchem-866.nw NWChem Job #866 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Fh_FM_dftu QWAIT:: 1288827 ::QWAIT 1684122073.694210
1288829 (remove) 0 no no no dtahoma nwchem nwchem-933.nw NWChem Job #933 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Fh_FM_dftu QWAIT:: 1288828 ::QWAIT 1684122081.636291
1288830 (remove) 0 no no no dtahoma nwchem nwchem-76.nw NWChem Job #76 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Fh_FM_dftu QWAIT:: 1288829 ::QWAIT 1684122089.016795
1288832 (remove) 1 no no no stahoma nwchem nwchem-532.nw NWChem Job #532 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/surface-H20C4O72Zn64-0001-EG-opt-lda QWAIT:: 1288831 ::QWAIT 1684122439.331374
1295026 (remove) 1 running no no dconstance nwchem nwchem-860.nw NWChem Job #860 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/surface-H20C4O72Zn64-0001-EG-opt-lda 1684350758.100041
1295028 (remove) 1 running no no dconstance nwchem nwchem-439.nw H20C4O70Zn64.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/surface-H20C4O70Zn64-0001-EtOH-opt-lda 1684351245.248538
1302176 (remove) 1 running no no stahoma nwchem nwchem-888.nw NWChem Job #888 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/surface-O64Zn64-0001-opt2-lda 1684874343.084696
1302190 (remove) 1 running no no stahoma nwchem nwchem-6.nw NWChem Job #6 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/surface-H12C4O68Zn64-0001-EG-opt2-lda 1685121231.053002
1302206 (remove) 1 no no no stahoma nwchem nwchem-624.nw H12C4O68Zn64.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/surface-H12C4O68Zn64-0001-EG-opt3-lda 1685330969.632340
1305622 (remove) 1 running no no dtahoma nwchem nwchem-217.nw NWChem Job #217 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Fh_AFM_dftu 1686118775.323756
1306288 (remove) 2 running no no dtahoma nwchem nwchem-323.nw NWChem Job #323 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite-Ru/ferrihydrite_Ru13_mult2_dftu_oldpsp 1686246117.296704
1310600 (remove) 1 running no no stahoma nwchem nwchem-660.nw H12C4O68Zn64.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/surface-H12C4O68Zn64-2m1m10-EG-opt4-lda 1686618001.405110
1310611 (remove) 1 running no no dtahoma nwchem nwchem-878.nw NWChem Job #878 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Fh_AFM_pbe_restart 1686702114.022476
1310634 (remove) 1 no no no dtahoma nwchem nwchem-131.nw NWChem Job #131 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Fh_AFM_pbe_restart_new 1687026286.535611
1310635 (remove) 1 running no no dtahoma nwchem nwchem-494.nw NWChem Job #494 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Fh_AFM_pbe_restart_new 1687026966.886662
1310636 (remove) 1 no no no dtahoma nwchem nwchem-242.nw NWChem Job #242 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Fh_AFM_pbe_restart_new 1687031387.203015
1310645 (remove) 1 no no no dtahoma nwchem nwchem-326.nw NWChem Job #326 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Fh_AFM_pbe0_restart_new 1687059888.637468
1310646 (remove) 1 no no no stahoma nwchem nwchem-862.nw H20C4O70Zn64.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/surface-H20C4O70Zn64-0001-EtOH-opt4-lda 1687060708.958762
1310650 (remove) 1 running no no dconstance nwchem nwchem-34.nw H20C4O70Zn64.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/surface-H20C4O70Zn64-0001-EtOH-opt5-lda 1687209234.181551
1310652 (remove) 1 no no no stahoma nwchem nwchem-468.nw H4C1.out00 1687286851.030594
1310653 (remove) 1 no no no stahoma nwchem nwchem-824.nw H4C1.out00 1687388636.155907
1310655 (remove) 1 no no no stahoma nwchem nwchem-728.nw H4C1.out00 1687395090.699983
1310661 (remove) 1 running no no stahoma nwchem nwchem-881.nw H2O65Zn64.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/surface-H2O65Zn64-0001-opt-lda 1687486195.326665
1312330 (remove) 1 no no no dtahoma nwchem nwchem-502.nw NWChem Job #502 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite-Ru/ferrihydrite_Ru13_mult2_pbe_oldpsp_restart 1688060267.843114
1312331 (remove) 1 no no no dtahoma nwchem nwchem-542.nw NWChem Job #542 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite-Ru/ferrihydrite_Ru13_mult2_scan_oldpsp_restart 1688060326.478009
1312772 (remove) 1 no no no dtahoma nwchem nwchem-302.nw H64O128Fe63Ru1.out00 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite-Ru/ferrihydrite_Ru13_mult2_pbe_oldpsp_restart 1688104328.783215
1312773 (remove) 1 no no no dtahoma nwchem nwchem-577.nw H64O128Fe63Ru1.out00 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite-Ru/ferrihydrite_Ru13_mult2_pbe0_oldpsp_restart 1688104394.908770
1312774 (remove) 1 no no no dtahoma nwchem nwchem-207.nw H64O128Fe63Ru1.out00 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite-Ru/ferrihydrite_Ru13_mult2_scan_oldpsp_restart 1688104491.301233
1315208 (remove) 1 no no no dperlmutter nwchem nwchem-253.nw H4C1.out00 1688449360.022426
1315431 (zip)(remove) 1 yes no no dperlmutter nwchem nwchem-522.nw H4C1.out00 1688505058.929696
1315656 (remove) 1 running no no dperlmutter nwchem nwchem-436.nw H108C16O238Zn192.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/nanorod-H108C16O238Zn192-EG-opt 1688531310.947377
1316100 (remove) 1 no no no dperlmutter nwchem nwchem-620.nw H108C16O238Zn192.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/nanorod-H108C16O238Zn192-EG-opt 1688578387.394692
1316101 (remove) 1 no no no dperlmutter nwchem nwchem-109.nw H108C16O238Zn192.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/nanorod-H108C16O238Zn192-EG-opt 1688578491.747375
1316102 (remove) 1 no no no dperlmutter nwchem nwchem-185.nw H108C16O238Zn192.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/nanorod-H108C16O238Zn192-EG-opt 1688578556.102887
1316103 (remove) 1 no no no dperlmutter nwchem nwchem-367.nw H108C16O238Zn192.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/nanorod-H108C16O238Zn192-EG-opt 1688578623.369304
1316104 (remove) 1 no no no dperlmutter nwchem nwchem-314.nw H108C16O238Zn192.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/nanorod-H108C16O238Zn192-EG-opt 1688578780.891846
1316105 (remove) 1 no no no dperlmutter nwchem nwchem-646.nw H108C16O238Zn192.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/nanorod-H108C16O238Zn192-EG-opt 1688578847.952477
1316107 (remove) 1 no no no dperlmutter nwchem nwchem-561.nw H108C16O238Zn192.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/nanorod-H108C16O238Zn192-EG-opt 1688580013.644051
1316598 (remove) 1 running no no dperlmutter nwchem nwchem-968.nw H108C16O238Zn192.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/nanorod-H108C16O238Zn192-EG-opt 1688662207.400394
1316606 (remove) 1 running no no dperlmutter nwchem nwchem-522.nw H108C16O238Zn192.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/nanorod-H108C16O238Zn192-EG-opt 1688708326.949375
1317052 (remove) 1 running no no dperlmutter nwchem nwchem-197.nw H108C16O238Zn192.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/nanorod-H108C16O238Zn192-EG-opt 1688759848.736020
1317979 (remove) 1 running no no dtahoma nwchem nwchem-899.nw NWChem Job #899 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite-Ru/ferrihydrite_Ru13_mult2_dftu_oldpsp 1688876374.056840
1317980 (remove) 1 running no no dtahoma nwchem nwchem-779.nw NWChem Job #779 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Fh_AFM_pbe_restart_new 1688876477.535494
1318643 (remove) 1 running no no stahoma nwchem nwchem-944.nw NWChem Job #944 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/surface010-H2O-CO2-AIMD 1688925239.202442
1318657 (remove) 1 running no no dperlmutter nwchem nwchem-858.nw H108C16O238Zn192.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/nanorod-H108C16O238Zn192-EG-opt 1689093071.953111
1323399 (remove) 1 running no no dtahoma nwchem nwchem-59.nw H64O128Fe64.out00 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Fh_AFM_pbe_restart_new 1689616054.380979
1436977 (remove) 1 running no no dconstance nwchem nwchem-703.nw H96N10O133Al40.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128-001 1691537889.056570
1465397 (remove) 1 running no no dconstance nwchem nwchem-999.nw O192Fe128Au33.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128Au33-001 1693868951.683591
1465398 (remove) 1 running no no dconstance nwchem nwchem-646.nw O192Fe128Au33.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128-104 1693868992.743159
1466752 (remove) 1 no no no dperlmutter nwchem nwchem-870.nw H108C16O230Zn192.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/nanorod-H108C16O230Zn192-EtOH-opt 1693980588.283670
1466755 (remove) 1 no no no dconstance nwchem nwchem-78.nw NWChem Job #78 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128-104 1693982225.801924
1466756 (remove) 0 no no no dconstance nwchem nwchem-179.nw NWChem Job #179 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128-104 QWAIT:: 1466755 ::QWAIT 1693982277.491864
1466757 (remove) 0 no no no dconstance nwchem nwchem-533.nw NWChem Job #533 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128-104 QWAIT:: 1466756 ::QWAIT 1693982296.388398
1466758 (remove) 1 no no no dconstance nwchem nwchem-721.nw NWChem Job #721 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128-104 1693982319.315601
1466759 (remove) 1 running no no dconstance nwchem nwchem-922.nw NWChem Job #922 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128-104 1693982400.438273
1466760 (remove) 0 no no no dconstance nwchem nwchem-134.nw NWChem Job #134 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128-104 QWAIT:: 1466759 ::QWAIT 1693982422.476955
1466761 (remove) 0 no no no dconstance nwchem nwchem-819.nw NWChem Job #819 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128-104 QWAIT:: 1466760 ::QWAIT 1693982441.796186
1466762 (remove) 0 no no no dconstance nwchem nwchem-253.nw NWChem Job #253 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128-104 QWAIT:: 1466761 ::QWAIT 1693982462.005350
1466763 (remove) 0 no no no dconstance nwchem nwchem-117.nw NWChem Job #117 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128-104 QWAIT:: 1466762 ::QWAIT 1693982470.964868
1466764 (remove) 0 no no no dconstance nwchem nwchem-94.nw NWChem Job #94 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128-104 QWAIT:: 1466763 ::QWAIT 1693982478.810439
1466765 (remove) 1 running no no stahoma nwchem nwchem-516.nw H128O192Mg64Si32.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/hydrated-surfaces/surf-0m41 1693985103.185922
1468755 (remove) 1 running no no stahoma nwchem nwchem-877.nw H128O192Mg64Si32.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/hydrated-surfaces/surf-0m41 1694154883.301182
1471844 (remove) 1 running no no dtahoma nwchem nwchem-960.nw H64O128Fe64.out00 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Fh_AFM_T16_pbe 1694409470.496622
1472289 (remove) 1 running no no dconstance nwchem nwchem-493.nw NWChem Job #493 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/hydrated-surfaces/surf-0m41 1694585383.981235
1481165 (remove) 1 running no no stahoma nwchem nwchem-221.nw NWChem Job #221 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/surface010-H2O-AIMD 1696010870.134941
1481166 (remove) 1 no no no dtahoma nwchem nwchem-984.nw NWChem Job #984 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Fh_AFM_T16_pbe 1696041877.127734
1481167 (remove) 1 no no no stahoma nwchem nwchem-637.nw NWChem Job #637 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/surface010-H2O-AIMD 1696041989.996703
1492203 (remove) 1 running no no dconstance nwchem nwchem-602.nw NWChem Job #602 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128-104 1697564934.752327
1492205 (remove) 1 running no no dconstance nwchem nwchem-857.nw O192Fe128Au33.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128Au33-001 1697569593.498337
1492208 (remove) 1 running no no dconstance nwchem nwchem-833.nw O192Fe128Au33.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128Au33-104 1697604621.240602
1492210 (remove) 1 running no no dperlmutter nwchem nwchem-965.nw NWChem Job #965 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/nanorod-H108C16O238Zn192-EG-opt 1697767850.704521
1492211 (remove) 1 running no no dperlmutter nwchem nwchem-185.nw NWChem Job #185 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/nanorod-H108C16O230Zn192-EtOH-opt 1697768444.908963
1492230 (remove) 1 running no no dperlmutter nwchem nwchem-985.nw NWChem Job #985 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/nanorod-H108C16O238Zn192-EG-opt 1697943146.473302
1492231 (remove) 1 running no no dperlmutter nwchem nwchem-169.nw NWChem Job #169 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/nanorod-H108C16O230Zn192-EtOH-opt 1697943247.792430
1492232 (remove) 1 running no no dperlmutter nwchem nwchem-371.nw NWChem Job #371 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/nanorod-H108C16O238Zn192-EG-opt 1698002447.140167
1492233 (remove) 1 running no no dperlmutter nwchem nwchem-896.nw NWChem Job #896 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/nanorod-H108C16O230Zn192-EtOH-opt 1698002510.015761
1492721 (remove) 1 no no no dperlmutter nwchem nwchem-846.nw NWChem Job #846 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/nanorod-H108C16O230Zn192-EtOH-opt 1698520754.889659
1492722 (remove) 1 no no no dperlmutter nwchem nwchem-327.nw NWChem Job #327 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Zincite/nanorod-H108C16O238Zn192-EG-opt 1698520789.949639
1517269 (remove) 1 running no no dconstance nwchem nwchem-613.nw Cu2.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/COVOs/Cu2-aperiodic-8covos-2p44 1702492262.170414
1563458 (remove) 1 no no no dtahoma nwchem nwchem-15.nw H24O48Fe24.out00 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite/goethite-pbe-elasticity 1704341841.474828
1565442 (remove) 1 no no no dtahoma nwchem nwchem-399.nw H24O48Fe24.out00 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite/goethite-pbe-elasticity-a11-plus 1704414437.636374
1565443 (remove) 1 no no no dtahoma nwchem nwchem-334.nw H24O48Fe24.out00 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite/goethite-pbe-elasticity-a11-minus 1704414633.132983
1565444 (remove) 1 no no no dtahoma nwchem nwchem-831.nw H24O48Fe24.out00 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite/goethite-pbe-elasticity-a12-plus 1704414774.696866
1565445 (remove) 1 no no no dtahoma nwchem nwchem-339.nw H24O48Fe24.out00 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite/goethite-pbe-elasticity-a12-minus 1704414816.153376
1566785 (remove) 1 no no no dtahoma nwchem nwchem-250.nw H24O48Fe24.out00 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite/goethite-pbe-elasticity-a21-minus 1704496189.470776
1575417 (zip)(remove) 1 yes no no aqe nwchem nwchem-674.nw NWChem Job #674 curdir=we31869:/home/bylaska/Projects/AQE/dft-b3lyp-H4C2 1705018430.270670
1575418 (zip)(remove) 1 yes no no aqe nwchem nwchem-838.nw NWChem Job #838 curdir=we31869:/home/bylaska/Projects/AQE/dft-b3lyp-H3C1N1 1705019508.304001
1579963 (remove) 1 no no no dperlmutter nwchem nwchem-483.nw NWChem Job #483 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T3/H36C20N4O4Se32Sn16-15p216 1705468924.977217
1579964 (remove) 1 no no no dperlmutter nwchem nwchem-341.nw NWChem Job #341 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T3/H36C20N4O4S32Sn16-14p596 1705468996.747230
1579965 (remove) 1 no no no dperlmutter nwchem nwchem-522.nw NWChem Job #522 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T3/H36C20N4O4S16Se16Sn16-15p216 1705469085.901266
1579966 (remove) 1 no no no dperlmutter nwchem nwchem-655.nw NWChem Job #655 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T3/H36C20N4O4S16Se16Sn16-14p596 1705469172.644916
1579967 (remove) 1 no no no dperlmutter nwchem nwchem-348.nw NWChem Job #348 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T3/H36C20N4O4Se32Sn16-15p216 1705597874.163866
1586651 (remove) 1 no no no dperlmutter nwchem nwchem-712.nw H18C10N2O2Se32Sn16.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T3/H18C10N2O2Se32Sn16-15p216 1705777222.406998
1598308 (remove) 1 no no no dperlmutter nwchem nwchem-23.nw S32Se32Sn32.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T3/S32Se32Sn32-15p216-3Se3S 1706052462.674653
1598537 (remove) 1 no no no aqe nwchem nwchem-808.nw NWChem Job #808 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/AQE/exachem-butanol2 1706059147.258270
1601081 (remove) 1 no no no dperlmutter nwchem nwchem-941.nw H36C20N4O4S32Se32Sn32.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T3/H36C20N4O4S32Se32Sn32-14p596-3Se3S 1706418482.953640
1606386 (remove) 1 no no no dperlmutter nwchem nwchem-998.nw S32Sn16.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T3/New/S32Sn16-14p596 1706911950.816250
1621651 (remove) 1 running no no dconstance nwchem nwchem-181.nw O192Fe128Au29.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128Au29-104 1708025143.021360
1621684 (remove) 1 running no no dperlmutter nwchem nwchem-422.nw O192Fe128Au29.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128Au29-001 1708321902.678666
1621692 (remove) 1 running no no dperlmutter nwchem nwchem-704.nw O192Fe128Au29.out01 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128Au29-001 1708454801.178817
1621693 (remove) 1 running no no dperlmutter nwchem nwchem-628.nw O192Fe128Au29.out04 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128Au29-104 1708454822.523771
1621697 (remove) 1 running no no dperlmutter nwchem nwchem-815.nw S32Se32Sn32.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T3/S32Se32Sn32-14p596-3Se3S-bvac-SeTSnT 1708461772.436183
1621709 (remove) 1 no no no dperlmutter nwchem nwchem-788.nw O192Fe128Au29.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128Au29-104 1708646749.555484
1621773 (remove) 1 no no no dperlmutter nwchem nwchem-583.nw NWChem Job #583 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T3/H36C20N4O4S32Se32Sn32-14p596-avac-001 1709189041.434533
1621774 (remove) 1 no no no dperlmutter nwchem nwchem-816.nw O72Fe48.out01 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O72Fe48Au8-001 1709227791.375452
1621775 (remove) 1 no no no dperlmutter nwchem nwchem-235.nw NWChem Job #235 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O72Fe48Au8-104 1709227842.731079
1621776 (remove) 1 no no no dperlmutter nwchem nwchem-118.nw NWChem Job #118 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T3/H36C20N4O4S32Se32Sn32-14p596-avac-001 1709228088.657835
1621889 (remove) 1 no no no dperlmutter nwchem nwchem-278.nw NWChem Job #278 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T3/H9C5N1O1S32Sn16-14p596-100 1709240640.815077
1623052 (remove) 1 no no no dperlmutter nwchem nwchem-816.nw H36C20N4O4S32Sn16.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T3/E_interface/H36C20N4O4S32Sn16-14p596-avac-001-100 1709334786.340752
1623235 (remove) 1 no no no dperlmutter nwchem nwchem-546.nw H27C15N3O3Se32Sn16.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T3/E_interface/H27C15N3O3Se32Sn16-15p216-avac-001-100 1709335235.932015
1626353 (remove) 1 no no no dtahoma nwchem nwchem-417.nw H24O48Fe24.out00 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite/bulk_modulus/DFTU/P_m5GPa 1709418223.472453
1636076 (remove) 1 running no no dperlmutter nwchem nwchem-850.nw H36C20N4O4Se32Sn16.out04 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T3/E_interface/H36C20N4O4Se32Sn16-15p216-avac-001-100 1709661952.641828
1636077 (remove) 1 running no no dperlmutter nwchem nwchem-417.nw NWChem Job #417 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T3/E_interface/H54C30N6O6S32Se32Sn32-14p596-avac-001-100 1709661980.357695
1636740 (remove) 1 no no no dperlmutter nwchem nwchem-794.nw S32Se32Sn32.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T3/E_interface/S32Se32Sn32-14p596-avac-001-100-polarization 1709679751.607881
1639611 (remove) 1 running no no dperlmutter nwchem nwchem-313.nw S32Se32Sn32.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T3/E_interface/H54C30N6O6S32Se32Sn32-14p596-avac-001-100 1709758324.418233
1641602 (remove) 1 no no no dtahoma nwchem nwchem-589.nw NWChem Job #589 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite/bulk_modulus/P_p5GPa-relaxed 1710098741.703059
1642722 (remove) 1 running no no dtahoma nwchem nwchem-729.nw NWChem Job #729 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Fh_AFM_T20_pbe 1710530847.329830
1642727 (remove) 1 running no no dtahoma nwchem nwchem-440.nw NWChem Job #440 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Fh_AFM_T20_pbe 1710649365.712619
1663662 (remove) 1 running no no dconstance nwchem nwchem-440.nw NWChem Job #440 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Pt/O72Fe48Pt2-001 1713489089.511625
1663664 (remove) 1 no no no dperlmutter nwchem nwchem-443.nw NWChem Job #443 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Pt/O72Fe48Pt2-104 1713502443.821286
1663665 (remove) 1 no no no dperlmutter nwchem nwchem-576.nw NWChem Job #576 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Pt/O72Fe48Pt2-001 1713502698.442585
1665896 (remove) 1 running no no dtahoma nwchem nwchem-310.nw NWChem Job #310 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Fh_AFM_T20_pbe 1713810559.131253