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
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
266035 (remove) 0 no no no cascade nwchem nwchem-9635.nw Neeraj2 Test2 curdir=WE33234:~/Projects/00CME/0AMD/ArrowsTest 1578379198.901604
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
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
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
1683195 (remove) 0 no no no mark nwchem nwchem-967.nw NWChem Job #967 curdir=mark.utep.edu:/home/bylaska/Projects/AQE/markrun1 1715384593.208468
1685704 (remove) 1 running no no dtahoma nwchem nwchem-112.nw NWChem Job #112 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/hydrated-surfaces/surf-0m41 1716342240.377086
1685706 (remove) 1 no no no dtahoma nwchem nwchem-576.nw NWChem Job #576 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/H2/Ontop/Gamma/H2Cu36 1716421187.730612
1685708 (remove) 1 running no no dtahoma nwchem nwchem-740.nw NWChem Job #740 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/H2/Ontop/Band/H2Cu36 1716421351.627448
1685710 (remove) 1 running no no dtahoma nwchem nwchem-839.nw NWChem Job #839 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/H2/Ontop/Band/Cu36 1716421509.432054
1685713 (remove) 1 no no no dtahoma nwchem nwchem-761.nw NWChem Job #761 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/H2/Ontop/Band/H2 1716422001.125862
1685724 (remove) 1 no no no dtahoma nwchem nwchem-343.nw NWChem Job #343 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/H2/Ontop/Gamma/H2 1716513268.711377
1685725 (remove) 1 no no no dtahoma nwchem nwchem-948.nw NWChem Job #948 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/H2/Ontop/Gamma/H2 1716513339.556499
1685748 (remove) 1 running no no dtahoma nwchem nwchem-585.nw NWChem Job #585 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Relaxed/Fh_AFM_T12_pbe 1716742018.629775
1685749 (remove) 1 no no no dtahoma nwchem nwchem-919.nw NWChem Job #919 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Relaxed/Fh_AFM_T16_pbe 1716742586.136474
1685758 (remove) 1 no no no dtahoma nwchem nwchem-537.nw NWChem Job #537 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Pt/104/O72Fe48Pt1 1716828518.725118
1685759 (remove) 1 no no no dtahoma nwchem nwchem-104.nw NWChem Job #104 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Pt/104/O72Fe48 1716828576.064757
1685761 (remove) 1 running no no dtahoma nwchem nwchem-309.nw NWChem Job #309 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Pt/104/O72Fe48Pt1 1716828730.298600
1685765 (remove) 1 no no no dtahoma nwchem nwchem-817.nw NWChem Job #817 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/001/O72Fe48Au1 1716873849.129702
1685766 (remove) 1 no no no dtahoma nwchem nwchem-726.nw NWChem Job #726 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/001/O72Fe48Au1 1716873945.464030
1685772 (remove) 1 no no no dtahoma nwchem nwchem-84.nw NWChem Job #84 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/H2/LDA/Ontop/Gamma/H2 1717128289.634605
1685782 (remove) 1 running no no dconstance nwchem nwchem-241.nw NWChem Job #241 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Pt/001/O72Fe48Pt1 1717478935.905327
1685787 (remove) 1 running no no dtahoma nwchem nwchem-950.nw NWChem Job #950 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Pt/001/O72Fe48Pt1-PBE0 1717550337.911740
1685804 (remove) 1 no no no dtahoma nwchem nwchem-116.nw NWChem Job #116 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Pt/001/O72Fe48Pt1-Fe35dn 1717736922.969480
1685820 (remove) 1 no no no dtahoma nwchem nwchem-19.nw NWChem Job #19 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Pt/001/O72Fe48Pt1-PBE0 1717877282.641029
1685821 (remove) 1 no no no dtahoma nwchem nwchem-398.nw NWChem Job #398 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Pt/104/O72Fe48Pt1-PBE0 1717877335.592384
1685823 (remove) 1 no no no dtahoma nwchem nwchem-525.nw NWChem Job #525 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Pt/104/O72Fe48Pt1-PBE0 1717877535.881243
1686000 (remove) 1 running no no dtahoma nwchem nwchem-998.nw NWChem Job #998 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Fh_AFM_T20_pbe 1718157069.544647
1686002 (remove) 1 running no no dtahoma nwchem nwchem-568.nw NWChem Job #568 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Fh_AFM_T20_pbe 1718256392.420721
1686003 (remove) 1 running no no dperlmutter nwchem nwchem-657.nw NWChem Job #657 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/CO/LDA/Bridge/Gamma/C1O1Cu36 1718387864.459610
1686028 (remove) 1 no no no dperlmutter nwchem nwchem-637.nw C1O1Cu36.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/H2O/LDA/Bridge/Band/H2O1 1718478281.742476
1686029 (remove) 1 no no no dperlmutter nwchem nwchem-866.nw C1O1Cu36.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/H2O/LDA/Bridge/Band/H2O1 1718478282.543363
1686036 (remove) 1 running no no dperlmutter nwchem nwchem-194.nw NWChem Job #194 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/CO/LDA/Bridge/Gamma/C1O1Cu36 1718504090.476286
1697112 (remove) 1 no no no dtahoma nwchem nwchem-56.nw NWChem Job #56 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Pt/goethite_PtH82b_mult6-dftu 1719553021.150540
1697113 (remove) 1 no no no dtahoma nwchem nwchem-781.nw NWChem Job #781 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Pt/goethite_PtH82b_mult6-dftu 1719553112.823877
1697116 (remove) 1 no no no dtahoma nwchem nwchem-608.nw NWChem Job #608 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Pt/001/O72Fe48Pt1-PtII-PBE 1719599904.260876
1697117 (remove) 1 running no no dtahoma nwchem nwchem-267.nw NWChem Job #267 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Pt/104/O72Fe48Pt1-PtII-PBE 1719600253.734464
1697118 (remove) 1 no no no dtahoma nwchem nwchem-978.nw NWChem Job #978 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Pt/001/O72Fe48Pt1-PtII-PBE 1719600436.300862
1698010 (remove) 1 no no no dtahoma nwchem nwchem-329.nw NWChem Job #329 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Pt/001/O72Fe48Pt1-PtII-PBE 1719637898.909686
1698012 (remove) 1 no no no dtahoma nwchem nwchem-875.nw NWChem Job #875 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Fh_AFM_T20_pbe 1719638222.383808
1699554 (remove) 1 no no no dtahoma nwchem nwchem-129.nw NWChem Job #129 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Pt/goethite_PtH81_mult6-dftu 1719692941.021544
1699555 (remove) 1 no no no dtahoma nwchem nwchem-967.nw NWChem Job #967 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Fh_AFM_T20_pbe 1719692963.557842
1699996 (remove) 1 no no no dtahoma nwchem nwchem-648.nw NWChem Job #648 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Pt/goethite_PtH81_mult6-dftu 1719711820.748781
1699997 (remove) 1 no no no dtahoma nwchem nwchem-957.nw NWChem Job #957 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Fh_AFM_T20_pbe 1719711870.313959
1699998 (remove) 1 no no no dtahoma nwchem nwchem-804.nw NWChem Job #804 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Pt/goethite_PtH81_mult6-dftu 1719712316.394221
1699999 (remove) 1 no no no dtahoma nwchem nwchem-626.nw NWChem Job #626 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Pt/goethite_PtH81_mult6-dftu 1719712715.659399
1701761 (remove) 1 no no no dtahoma nwchem nwchem-573.nw NWChem Job #573 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Pt/goethite_PtH81_mult6-dftu 1719771470.632937
1701762 (remove) 1 no no no dtahoma nwchem nwchem-310.nw NWChem Job #310 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Fh_AFM_T20_pbe 1719771518.279561
1701766 (remove) 1 no no no dtahoma nwchem nwchem-986.nw NWChem Job #986 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/Cu/LDA/Gamma/Cu36 1719813744.033558
1702209 (remove) 1 no no no dtahoma nwchem nwchem-596.nw NWChem Job #596 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite/Fh_AFM_T20_pbe 1719876055.901489
1703987 (remove) 1 no no no dtahoma nwchem nwchem-844.nw NWChem Job #844 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/CO/LDA/Ontop/Gamma/C1O1Cu36 1720244903.916967
1704217 (remove) 1 no no no dtahoma nwchem nwchem-425.nw Cu4.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/Cu/LDA/Gamma/Cu144 1720296272.723456
1704218 (remove) 1 running no no dtahoma nwchem nwchem-217.nw Cu144.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/Cu/LDA/Gamma/Cu144 1720296430.881781
1704238 (remove) 1 running no no dtahoma nwchem nwchem-287.nw NWChem Job #287 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/H2O/LDA/Ontop/Gamma/H2Cu36 1720385742.062005
1704239 (remove) 1 no no no dtahoma nwchem nwchem-871.nw NWChem Job #871 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/H2O/LDA/Ontop/Band/H2Cu36 1720385777.287112
1704249 (remove) 1 no no no dtahoma nwchem nwchem-778.nw NWChem Job #778 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/CO/LDA/Bridge/Band/C1O1Cu36 1720390342.796044
1704253 (remove) 1 no no no dtahoma nwchem nwchem-37.nw H2O1.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/N2/LDA/Ontop/Gamma/N2 1720393035.356075
1704257 (remove) 1 no no no dtahoma nwchem nwchem-154.nw H2.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/H2/LDA/Ontop/band/H2 1720393313.730634
1704264 (remove) 1 no no no dtahoma nwchem nwchem-869.nw NWChem Job #869 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/CO/LDA/Bridge/Gamma/C1O1Cu36 1720454979.744150
1704267 (remove) 1 no no no dtahoma nwchem nwchem-479.nw NWChem Job #479 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/H2O/LDA/fcc/Gamma/H2O1Cu36 1720458739.101160
1704274 (remove) 1 no no no dtahoma nwchem nwchem-181.nw NWChem Job #181 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/Cu/LDA/Gamma/Cu32 1720501893.811354
1704275 (remove) 1 no no no dtahoma nwchem nwchem-338.nw NWChem Job #338 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/Cu/LDA/Gamma/Cu32 1720501955.797621
1704283 (remove) 1 no no no dtahoma nwchem nwchem-816.nw Cu32.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/Cu/LDA/Band/H2O1Cu32 1720504359.619522
1704284 (remove) 1 no no no dtahoma nwchem nwchem-217.nw N2Cu32.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/Cu/LDA/Band/N2Cu32 1720504546.661349
1704285 (remove) 1 no no no dtahoma nwchem nwchem-504.nw N2Cu32.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/Cu/LDA/Gamma/N2Cu32 1720504579.006400
1704287 (remove) 1 no no no dtahoma nwchem nwchem-554.nw N2Cu32.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/Cu/LDA/Gamma/N2Cu32 1720504672.253749
1704290 (remove) 1 no no no dtahoma nwchem nwchem-133.nw NWChem Job #133 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-ad/Cu/LDA/Band/C1O1Cu32 1720538186.985979
1704306 (remove) 1 no no no dtahoma nwchem nwchem-651.nw H534C5O277.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Isotopes/C-12-aq/H534C5O277 1720847072.504284
1704309 (remove) 1 running no no dtahoma nwchem nwchem-62.nw H534C5O277.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Isotopes/C-12-aq/H534C5O277 1720897492.393319
1704311 (remove) 1 no no no dtahoma nwchem nwchem-708.nw H534C5O277.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Isotopes/C-12-aq/H534C5O277 1720929816.626159
1704314 (remove) 1 running no no dtahoma nwchem nwchem-941.nw H534C5O277.out01 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Isotopes/C-12-aq/H534C5O277 1720969484.898126
1704319 (remove) 1 running no no dtahoma nwchem nwchem-871.nw NWChem Job #871 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128Au29-001 1721023188.753043
1704321 (remove) 1 no no no dtahoma nwchem nwchem-222.nw NWChem Job #222 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128Au29-104 1721023277.874997
1704324 (remove) 1 no no no dtahoma nwchem nwchem-241.nw H534C5O277.out01 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Isotopes/C-12-aq/H534C5O277 1721056553.913421
1704327 (remove) 1 no no no dtahoma nwchem nwchem-972.nw NWChem Job #972 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite-Zn/T12-ZnH4 1721089438.056948
1704329 (remove) 1 no no no dtahoma nwchem nwchem-729.nw NWChem Job #729 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128Au29-001 1721110092.187444
1704330 (remove) 1 no no no dtahoma nwchem nwchem-812.nw NWChem Job #812 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128Au29-104 1721110170.080994
1704339 (remove) 1 no no no dtahoma nwchem nwchem-88.nw Cu144Zn48.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T2/Zn-Cu111/E_interface/H18C6O3Cu144Zn48-002 1721154788.560270
1704340 (remove) 1 no no no dtahoma nwchem nwchem-219.nw H18C6O3Cu144Zn48.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T2/Zn-Cu111/E_interface/H18C6O3Cu144Zn48-100 1721155790.927352
1704347 (remove) 1 no no no dtahoma nwchem nwchem-754.nw Cu144Zn48.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T2/Zn-Cu111/E_interface/Cu144Zn48-002 1721166600.946738
1704360 (remove) 1 no no no dtahoma nwchem nwchem-834.nw NWChem Job #834 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T2/Zn-Cu111/E_interface/Zn48-002 1721239471.152185
1704361 (remove) 1 no no no dtahoma nwchem nwchem-982.nw NWChem Job #982 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/SP-T2/Zn-Cu111/E_interface/Cu144-002 1721239603.383427
1704373 (remove) 1 no no no dtahoma nwchem nwchem-234.nw Au29.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/Au29-104 1721367747.563460
1704376 (remove) 1 no no no dtahoma nwchem nwchem-535.nw NWChem Job #535 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Yb/Yb_2SO4_6H2O-geo-antiprismatic 1721404088.285231
1704380 (remove) 1 no no no dconstance nwchem nwchem-922.nw NWChem Job #922 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Yb/Yb_2SO4_6H2O-geo-antiprismatic 1721415514.903181
1704388 (remove) 1 no no no dtahoma nwchem nwchem-146.nw NWChem Job #146 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-slabs/3x3x4/Gamma/3p40 1721454389.054004
1704390 (remove) 1 no no no dtahoma nwchem nwchem-146.nw Cu36.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-slabs/3x3x4/Gamma/3p45 1721454609.523646
1704394 (remove) 1 no no no dtahoma nwchem nwchem-588.nw Cu36.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-slabs/3x3x4/Gamma/3p57 1721455224.891561
1704396 (remove) 1 no no no dtahoma nwchem nwchem-581.nw Cu36.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-slabs/3x3x4/Gamma/3p59 1721455368.331449
1704397 (remove) 1 no no no dtahoma nwchem nwchem-566.nw Cu36.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-slabs/3x3x4/Gamma/3p60 1721456025.264847
1704399 (remove) 1 no no no dtahoma nwchem nwchem-282.nw Cu36.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-slabs/3x3x4/Gamma/3p62 1721456150.924500
1704405 (remove) 1 no no no dtahoma nwchem nwchem-632.nw Cu36.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-slabs/3x3x4/Gamma/3p68 1721456456.884842
1704421 (remove) 1 no no no dtahoma nwchem nwchem-437.nw Cu36.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-slabs/3x3x4/Gamma/3p65 1721497884.143063
1704423 (remove) 1 no no no dtahoma nwchem nwchem-15.nw Cu36.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-slabs/3x3x4/Gamma/3p68 1721497921.073494
1704436 (remove) 1 no no no dtahoma nwchem nwchem-642.nw Cu36.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-slabs/3x3x4/Gamma/3p59 1721505823.225414
1704437 (remove) 1 no no no dtahoma nwchem nwchem-916.nw Cu36.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-slabs/3x3x4/Gamma/3p62 1721505872.055058
1704438 (remove) 1 no no no dtahoma nwchem nwchem-7.nw Cu36.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-slabs/3x3x4/Gamma/3p65 1721505902.760744
1704450 (remove) 1 no no no dtahoma nwchem nwchem-477.nw Cu36.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-slabs/3x3x4/Gamma/3p52 1721541817.462126
1704451 (remove) 1 no no no dtahoma nwchem nwchem-152.nw Cu36.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-slabs/3x3x4/Gamma/3p53 1721542054.831483
1704459 (remove) 1 no no no dtahoma nwchem nwchem-618.nw Cu64.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-slabs/4x4x4/Gamma/3p48 1721543865.860202
1704460 (remove) 1 no no no dtahoma nwchem nwchem-386.nw NWChem Job #386 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite-Zn/T12-ZnH4 1721544009.506499
1704463 (remove) 1 no no no dtahoma nwchem nwchem-41.nw O192Fe128Au29.out04 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128Au29-104 1721588549.728029
1704465 (remove) 1 no no no dtahoma nwchem nwchem-626.nw O192Fe128Au29.out04 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128Au29-104 1721588870.125059
1704485 (remove) 1 running no no dtahoma nwchem nwchem-849.nw Cu36.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-slabs/3x3x4/Gamma/3p53 1721626719.770169
1704500 (remove) 1 no no no dtahoma nwchem nwchem-440.nw Cu36.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/ECC/Cu-slabs/3x3x4/Gamma/3p53 1721628462.514812
1704511 (remove) 1 running no no dconstance nwchem nwchem-246.nw H12O14S2Yb1.out01 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Yb/Yb_2SO4_6H2O-geo-dodecahedral 1721694476.022781
1704514 (remove) 1 no no no dtahoma nwchem nwchem-414.nw NWChem Job #414 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Ferrihydrite-Zn/T12-ZnH4 1721773998.900137
1704517 (remove) 1 running no no dconstance nwchem nwchem-429.nw NWChem Job #429 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Yb/Yb_2SO4_6H2O-geo-antiprismatic 1721838418.566641
1704518 (remove) 1 running no no dconstance nwchem nwchem-888.nw H12O14S2Yb1.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Yb/Yb_2SO4_6H2O-geo-dodecahedral 1721838664.723502
1704519 (remove) 1 running no no dconstance nwchem nwchem-164.nw H12O14S2Yb1.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Yb/Yb_2SO4_6H2O-geo-hexa_bipyramid 1721838730.010898
1704520 (remove) 1 no no no dtahoma nwchem nwchem-334.nw H12O14S2Yb1.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Yb/Yb_2SO4_6H2O-geo-antiprismatic 1721842735.309359
1704523 (remove) 1 running no no dconstance nwchem nwchem-616.nw H12O14S2Yb1.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Yb/Yb_2SO4_6H2O-geo-dodecahedral 1721885134.143351
1704529 (remove) 1 running no no dtahoma nwchem nwchem-151.nw O192Fe128Au29.out06 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128Au29-001 1721922978.323550
1704762 (remove) 1 running no no dconstance nwchem nwchem-403.nw H12O14S2Yb1.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Yb/Yb_2SO4_6H2O-geo-dodecahedral 1722027902.257632
1704763 (remove) 1 no no no dtahoma nwchem nwchem-720.nw O192Fe128Au29.out08 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Hematite-Au/O192Fe128Au29-104 1722039291.034031
1704764 (remove) 1 no no no dtahoma nwchem nwchem-411.nw NWChem Job #411 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Pt/goethite_PtH81_O44H_O12H-dftu 1722040801.261190
1704765 (remove) 1 no no no dtahoma nwchem nwchem-930.nw NWChem Job #930 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Pt/goethite_PtH81_O58H_O74H-dftu 1722040840.296830