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
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 (zip)(remove) 1 yes 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
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
1259 (zip)(remove) 1 yes no no sperlmutter nwchem nwchem-447.nw NWChem Job #447 1777412494.024166
1260 (zip)(remove) 1 yes no no sperlmutter nwchem nwchem-763.nw C128O9Mo3.out00 1777412858.373968
1276 (remove) 1 no no no sperlmutter nwchem nwchem-11.nw C128O9Mo3Ru98.out00 1777508701.321228
1277 (zip)(remove) 1 yes no no sperlmutter nwchem nwchem-738.nw C128O9Mo3Ru98.out00 1777508921.625285
1278 (remove) 1 no no no sperlmutter nwchem nwchem-895.nw C128O9Mo3Ru98.out00 1777510126.917123
1279 (zip)(remove) 1 yes no no sperlmutter nwchem nwchem-387.nw C128O9Mo3Ru98.out00 1777510267.664682
1280 (remove) 1 no no no sperlmutter nwchem nwchem-18.nw NWChem Job #18 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Pt/goethite_Pt89_int_square_O6O9O17O21-dftu 1777669712.110390
1281 (remove) 1 no no no sperlmutter nwchem nwchem-994.nw NWChem Job #994 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/Metadynamics/H2O/ 1777674920.913750
1294 (remove) 1 no no no sperlmutter nwchem nwchem-20.nw H18O46Fe24Pt1.out00 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Pt/goethite_Pt89_int_square_O6O9O17O21-dftu 1777681669.496181
1339 (remove) 1 no no no sperlmutter nwchem nwchem-46.nw H176O151Mg32Si16.out00 1777868965.507045
1340 (remove) 1 no no no sperlmutter nwchem nwchem-287.nw NWChem Job #287 1777869072.118322
1341 (zip)(remove) 1 yes no no sperlmutter nwchem nwchem-824.nw NWChem Job #824 1777869176.584988
1342 (remove) 1 no no no sperlmutter nwchem nwchem-192.nw H18O46Fe24Pt1.out00 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Pt/goethite_Pt89_int_square_O6O9O17O21-dftu 1777870992.111877
1353 (zip)(remove) 1 yes no no sperlmutter nwchem nwchem-618.nw NWChem Job #618 1777929049.529667
1355 (zip)(remove) 1 yes no no sperlmutter nwchem nwchem-564.nw NWChem Job #564 1777973272.832299
1398 (zip)(remove) 1 yes no no sperlmutter nwchem nwchem-521.nw H225O120S2Dy1.out01 1778117319.213648
1399 (remove) 1 no no no sperlmutter nwchem nwchem-785.nw H225O120S2Dy1.out01 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-80F-paw 1778142275.932807
1400 (remove) 1 no no no sperlmutter nwchem nwchem-69.nw H225O120S2Dy1.out02 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-212F-paw 1778143141.188306
1401 (remove) 1 no no no sperlmutter nwchem nwchem-489.nw H18O46Fe24Pt1.out04 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Pt/goethite_Pt89_int_square_O9O11O23O39-dftu 1778146125.769756
1425 (zip)(remove) 1 yes no no sperlmutter nwchem nwchem-545.nw H225O120S2Dy1.out02 1778239094.849613
1641 (remove) 1 running no no dconstance nwchem nwchem-527.nw H225O120S2Dy1.out05 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-212F-paw 1779282059.268140
1642 (remove) 1 running no no dconstance nwchem nwchem-875.nw H225O120S2Dy1.out05 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-80F-paw 1779282745.434003
1643 (remove) 1 running no no dconstance nwchem nwchem-202.nw H225O120S2Dy1.out02 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-302F-paw 1779442205.141073
1647 (remove) 1 no no no sperlmutter nwchem nwchem-94.nw H18O44Fe22Pt2.out02 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-80F-paw 1779507897.228648
1649 (remove) 1 no no no sperlmutter nwchem nwchem-993.nw H225O120S2Dy1.out05 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-212F-paw 1779508108.953971
1650 (remove) 1 no no no sperlmutter nwchem nwchem-826.nw H225O120S2Dy1.out05 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-212F-paw 1779508155.751478
1651 (remove) 1 no no no sperlmutter nwchem nwchem-669.nw H225O120S2Dy1.out05 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-212F-paw 1779508262.212859
1652 (remove) 1 no no no sperlmutter nwchem nwchem-785.nw H225O120S2Dy1.out05 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-80F-paw 1779508331.112313
1653 (remove) 1 no no no sperlmutter nwchem nwchem-63.nw H225O120S2Dy1.out05 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-212F-paw 1779508342.486004
1661 (remove) 1 running no no dconstance nwchem nwchem-859.nw NWChem Job #859 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-302F-paw 1779759210.550925
1684 (remove) 1 no no no dconstance nwchem nwchem-415.nw NWChem Job #415 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/T2/MoO3-GrRu/C128O9Mo3Ru98-bader 1779902436.966552
1686 (remove) 1 no no no dconstance nwchem nwchem-175.nw C128O9Mo3Ru98.out01 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/T2/MoO3-GrRu/C128O9Mo3Ru98-backup 1779904192.132147
1688 (remove) 1 no no no dconstance nwchem nwchem-649.nw C128O9Mo3Ru98.out01 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/T2/MoO3-GrRu/C128O9Mo3Ru98-backup 1779907564.436132
1693 (remove) 1 running no no sperlmutter nwchem nwchem-386.nw C128O9Mo3Ru196.out00 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/T2/MoO3-GrRu/C128O9Mo3Ru196 1779993171.866603
1800 (remove) 1 running no no sperlmutter nwchem nwchem-89.nw NWChem Job #89 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/T2/MoO3-GrRu/C128O9Mo3Ru196 1780248222.326889
1801 (remove) 1 running no no sperlmutter nwchem nwchem-859.nw NWChem Job #859 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-302F-paw 1780606068.482459
1802 (remove) 1 running no no sperlmutter nwchem nwchem-761.nw H225O120S2Dy1.out04 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-80F-paw 1780606108.075464
1803 (remove) 1 no no no sperlmutter nwchem nwchem-744.nw H225O120S2Dy1.out10 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/LDRD/NETS/Dy-SO4/H225O120S2Dy1-twomono-212F-paw 1780606329.661768
1804 (remove) 1 running no no dconstance nwchem nwchem-827.nw NWChem Job #827 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Pt/goethite_Pt8_sub_square_woFevac-dftu 1780623947.663300
1805 (remove) 1 no no no dconstance nwchem nwchem-193.nw H18O44Fe22Pt2.out02 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Pt/goethite_Pt8Pt14_sub_square_woFevac-dftu 1780624347.349574
1806 (remove) 1 running no no dconstance nwchem nwchem-504.nw H21O46Fe23Pt1.out03 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Pt/goethite_Pt8_sub_square_woFevac-dftu 1780624792.145341
1807 (remove) 1 no no no dconstance nwchem nwchem-396.nw H18O44Fe22Pt2.out03 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Pt/goethite_Pt8Pt14_sub_square_woFevac-dftu 1780624809.591740
1808 (remove) 1 no no no dconstance nwchem nwchem-14.nw H18O44Fe22Pt2.out03 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Pt/goethite_Pt8Pt14_sub_square_woFevac-dftu 1780624910.975726
1809 (remove) 1 no no no dconstance nwchem nwchem-214.nw H18O44Fe22Pt2.out03 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Pt/goethite_Pt8Pt14_sub_square_woFevac-dftu 1780625010.708627
1831 (remove) 1 running no no dconstance nwchem nwchem-872.nw C128O9Mo3.out01 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/T2/MoO3-GrRu/C128O9Mo3Ru98 1780972490.041115
1834 (remove) 1 running no no dconstance nwchem nwchem-240.nw C128O9Mo3Ru98.out02 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/T2/MoO3-GrRu/C128O9Mo3 1781029174.886993
1840 (remove) 1 running no no dconstance nwchem nwchem-212.nw C128O9Mo3Ru98.out03 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/T2/MoO3-GrRu/C128O9Mo3Ru98 1781052441.184616
1841 (remove) 1 running no no dconstance nwchem nwchem-702.nw C128O9Mo3Ru98.out03 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/T2/MoO3-GrRu/C128O9Mo3Ru98 1781054915.675200
1845 (remove) 1 running no no dconstance nwchem nwchem-160.nw C128O9Mo3Ru98.out03 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/BES_MSE/T2/MoO3-GrRu/C128O9Mo3Ru98 1781099765.049760
1848 (remove) 1 no no no dconstance nwchem nwchem-691.nw C128O9Mo3Ru98.out05 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Pt/goethite_Pt8_sub_square_woFevac-dftu QWAIT:: 1847 ::QWAIT 1781140433.241082
1849 (remove) 0 no no no dconstance nwchem nwchem-235.nw C128O9Mo3Ru98.out05 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Pt/goethite_Pt8_sub_square_woFevac-dftu QWAIT:: 1848 ::QWAIT 1781140444.713815
1887 (remove) 1 no no no dconstance nwchem nwchem-27.nw H21O46Fe23Pt1.out10 curdir=we31869.emsl.pnl.gov:/home/bylaska/Projects/BES/Goethite-Pt/goethite_Pt8_sub_square_woFevac-dftu 1781203901.737964
1917 (remove) 1 running no no dconstance nwchem nwchem-553.nw NWChem Job #553 curdir=we31869.emsl.pnl.gov:/media/seagate2/Projects/Duo/Forsterite/PMF/H2O/H184O156Mg32Si16 1781312678.770613