Results from an HeteroFAM Request
Making molecular modeling accessible by combining NWChem, databases, web APIs (https://heterofam.pnnl.gov/api/arrows), and email (arrows@emsl.pnnl.gov)
#chemdb_queue_nwchem - version 2.0 - arrows_api url= http://localhost:8080/api/
queue_entry fetched finished stopped eap_calculation machine_type queue_name label::
155 (remove) 1 running no no sperlmutter nwchem nwchem-520.nw NWChem Job #520 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-80F 1761698866.474268
177 (remove) 1 running no no dconstance nwchem nwchem-63.nw NWChem Job #63 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H12O14S2Dy1-opt 1764723312.836153
245 (remove) 1 running no no dconstance nwchem nwchem-837.nw H223O119S2Dy1.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H223O119S2Dy1-twomono-212F 1764840194.961602
249 (remove) 1 no no no dconstance nwchem nwchem-464.nw H223O119S2Dy1.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H223O119S2Dy1-twobi-212F QWAIT:: 248 ::QWAIT 1764840246.496592
250 (remove) 0 no no no dconstance nwchem nwchem-763.nw H223O119S2Dy1.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H223O119S2Dy1-twobi-212F QWAIT:: 249 ::QWAIT 1764840252.924782
252 (remove) 1 running no no dconstance nwchem nwchem-339.nw H223O119S2Dy1.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H223O119S2Dy1-onemonoonebi-212F 1764840284.567194
253 (remove) 0 no no no dconstance nwchem nwchem-863.nw H223O119S2Dy1.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H223O119S2Dy1-onemonoonebi-212F QWAIT:: 252 ::QWAIT 1764840291.330316
254 (remove) 0 no no no dconstance nwchem nwchem-286.nw H223O119S2Dy1.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H223O119S2Dy1-onemonoonebi-212F QWAIT:: 253 ::QWAIT 1764840297.953667
255 (remove) 0 no no no dconstance nwchem nwchem-461.nw H223O119S2Dy1.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H223O119S2Dy1-onemonoonebi-212F QWAIT:: 254 ::QWAIT 1764840304.337846
267 (remove) 1 no no no sperlmutter nwchem nwchem-923.nw H225O120S2Dy1.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-302F QWAIT:: 260 ::QWAIT 1764917538.830343
274 (remove) 1 running no no dconstance nwchem nwchem-813.nw NWChem Job #813 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/NEB/H2O/final 1764927319.571889
278 (remove) 1 running no no dconstance nwchem nwchem-65.nw NWChem Job #65 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/NEB/HCO3-bi/final 1764927475.705304
280 (remove) 1 no no no sperlmutter nwchem nwchem-51.nw NWChem Job #51 1764976439.129273
283 (remove) 1 running no no sperlmutter nwchem nwchem-993.nw H225O120S2Dy1.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/Metadynamics/WaterLayers 1765049539.504834
299 (remove) 1 running no no sperlmutter nwchem nwchem-514.nw H225O120S2Dy1.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-212F 1765175011.222163
300 (remove) 1 running no no sperlmutter nwchem nwchem-347.nw H225O120S2Dy1.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-302F 1765176125.754140
308 (remove) 1 running no no sperlmutter nwchem nwchem-384.nw H225O120S2Dy1.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-302F 1765238659.285322
310 (remove) 1 no no no dconstance nwchem nwchem-660.nw NWChem Job #660 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/NEB/H2O/ 1765241395.428973
317 (remove) 1 no no no dconstance nwchem nwchem-746.nw H12O70Mg32Si16.out06 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/NEB/H2O/ 1765256453.854898
326 (remove) 1 running no no dconstance nwchem nwchem-142.nw H8C1O71Mg32Si16.out07 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/NEB/HCO3-mono/ 1765268352.866818
330 (remove) 0 no no no aerosol3 nwchem nwchem-94.nw NWChem Job #94 curdir=/mlmd-default-H3C1O2Fe5 1765488122.997901
334 (remove) 1 running no no dconstance nwchem nwchem-676.nw NWChem Job #676 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/Metadynamics/H2O/ 1767312257.623744
337 (remove) 1 running no no dconstance nwchem nwchem-947.nw H174O151Mg32Si16.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/Metadynamics/H2O/ 1767342909.793932
339 (remove) 1 running no no dconstance nwchem nwchem-157.nw NWChem Job #157 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-212F 1767606935.051202
375 (zip)(remove) 1 yes no no dconstance nwchem nwchem-860.nw NWChem Job #860 curdir=/pspw-pbe-O12Mo4 1770229275.844969
377 (remove) 1 running no no sperlmutter nwchem nwchem-925.nw NWChem Job #925 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/MoO3-Gr-Ru/C128Ru196 1771035044.920519
385 (remove) 1 no no no sperlmutter nwchem nwchem-376.nw NWChem Job #376 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/MoO3-Gr-Ru/C128Ru196 1771204637.262217
386 (remove) 1 running no no sperlmutter nwchem nwchem-175.nw NWChem Job #175 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/MoO3-Gr-Ru/C128Ru196 1771204710.745092
408 (remove) 1 no no no dconstance nwchem nwchem-304.nw NWChem Job #304 1771355058.342433
409 (zip)(remove) 1 yes no no dconstance nwchem nwchem-385.nw NWChem Job #385 1771355200.880937
410 (zip)(remove) 1 yes no no dconstance nwchem nwchem-791.nw O12Mo4.out00 1771355572.975218
418 (remove) 0 no no no eperlmutter nwchem nwchem-855.nw NWChem Job #855 curdir=/pspw-pbe-Fe2O2b 1771369829.246295
419 (zip)(remove) 1 yes no no dconstance nwchem nwchem-945.nw O12Mo4.out00 1771372195.164237
647 (remove) 1 no no no dconstance nwchem nwchem-453.nw O64U32.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/UO2-ET/Path00 1772587205.331975
648 (zip)(remove) 1 yes no no dconstance nwchem nwchem-969.nw O64U32.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/UO2-ET/Path00 1772587552.552910
670 (remove) 1 no no no sperlmutter nwchem nwchem-652.nw NWChem Job #652 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-80F 1773014798.434726
671 (remove) 1 running no no sperlmutter nwchem nwchem-390.nw NWChem Job #390 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-80F-paw 1773014881.095110
672 (remove) 1 running no no sperlmutter nwchem nwchem-710.nw H225O120S2Dy1.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-212F-paw 1773015124.270887
673 (remove) 1 running no no sperlmutter nwchem nwchem-544.nw H225O120S2Dy1.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-302F-paw 1773015239.680201
676 (remove) 1 running no no dconstance nwchem nwchem-513.nw NWChem Job #513 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-80F-paw 1773188601.235597
677 (remove) 1 running no no sperlmutter nwchem nwchem-386.nw NWChem Job #386 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-80F-paw 1773188624.811069
678 (remove) 1 running no no sperlmutter nwchem nwchem-241.nw NWChem Job #241 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-212F-paw 1773189151.345622
679 (remove) 1 running no no sperlmutter nwchem nwchem-326.nw NWChem Job #326 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-302F-paw 1773189201.914078
680 (zip)(remove) 2 yes no no sperlmutter nwchem nwchem-802.nw NWChem Job #802 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/MoO3-Gr-Ru/C128O12Mo4Ru196-p1 1773702032.735853
682 (remove) 1 running no no sperlmutter nwchem nwchem-606.nw NWChem Job #606 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/MoO3-Gr-Ru/C128O12Mo4Ru196-p1 1773702293.403280
683 (remove) 1 running no no sperlmutter nwchem nwchem-952.nw C128O12Mo4Ru196.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/MoO3-Gr-Ru/C128O12Mo4Ru196-p2 1773702377.935001
684 (zip)(remove) 1 yes no no dconstance nwchem nwchem-796.nw C128O12Mo4Ru196.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/MoO3-Gr-Ru/C128O12Mo4Ru196-p1 1773702584.050087
685 (zip)(remove) 1 yes no no dconstance nwchem nwchem-546.nw C128O12Mo4Ru196.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/MoO3-Gr-Ru/C128O12Mo4Ru196-p2 1773702602.285248
686 (zip)(remove) 1 yes no no dconstance nwchem nwchem-923.nw NWChem Job #923 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/MoO3-Gr-Ru/C128O12Mo4Ru196-p2 1773837613.615458
687 (zip)(remove) 1 yes no no dconstance nwchem nwchem-794.nw NWChem Job #794 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/MoO3-Gr-Ru/C128O12Mo4Ru196-p1 1773837625.551838
688 (zip)(remove) 1 yes no no dconstance nwchem nwchem-4.nw NWChem Job #4 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/MoO3-Gr-Ru/C128O12Mo4Ru196-p1 1773838350.748885
689 (zip)(remove) 1 yes no no dconstance nwchem nwchem-276.nw NWChem Job #276 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/MoO3-Gr-Ru/C128O12Mo4Ru196-p2 1773838369.986757
690 (zip)(remove) 1 yes no no dconstance nwchem nwchem-332.nw NWChem Job #332 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/Metadynamics/Proton-WHAM 1775006535.530435
854 (zip)(remove) 1 yes no no sperlmutter nwchem nwchem-68.nw NWChem Job #68 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/Metadynamics/Proton-WHAM 1775385850.100636
855 (zip)(remove) 1 yes no no sperlmutter nwchem nwchem-280.nw NWChem Job #280 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/Metadynamics/Proton-WHAM 1775464481.298860
1083 (remove) 1 no no no sperlmutter nwchem nwchem-627.nw NWChem Job #627 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/PMF/H2O 1776387042.395296
1144 (remove) 0 no no no unknown nwchem nwchem-612.nw NWChem Job #df 1776660698.681911
1202 (remove) 0 no no no tiny nwchem nwchem-755.nw Payload236 1776891903.979420
1203 (remove) 0 no no no tiny nwchem nwchem-534.nw FOOBAR 1776892558.401696
1204 (remove) 0 no no no tiny nwchem nwchem-931.nw FOOBAR 1776892589.466776
1206 (remove) 0 no no no tiny nwchem nwchem-133.nw NEW - In Template 1776893269.810487
1242 (remove) 0 no no no tiny nwchem nwchem-7.nw Test 1776951448.831986
1250 (remove) 0 no no no unknown nwchem nwchem-162.nw <TemplateReference 'results/molecule2716.html'> 1777045266.529794