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  1. ======= derivatives/Si_2_Delta =======
  2. 0.94user 0.08system 0:00.41elapsed 248%CPU (0avgtext+0avgdata 22248maxresident)k
  3. 33088inputs+120outputs (175major+4364minor)pagefaults 0swaps
  4.  
  5. ======= legacy/Si2_oldSKinterp =======
  6. 0.43user 0.03system 0:00.11elapsed 398%CPU (0avgtext+0avgdata 24048maxresident)k
  7. 3000inputs+80outputs (13major+4469minor)pagefaults 0swaps
  8.  
  9. ======= legacy/Si2_polyRep =======
  10. 0.32user 0.04system 0:00.04elapsed 827%CPU (0avgtext+0avgdata 26140maxresident)k
  11. 0inputs+80outputs (0major+4479minor)pagefaults 0swaps
  12.  
  13. ======= non-scc/Si_2 =======
  14. 0.51user 0.04system 0:00.05elapsed 1105%CPU (0avgtext+0avgdata 24236maxresident)k
  15. 1384inputs+88outputs (6major+4511minor)pagefaults 0swaps
  16.  
  17. ======= non-scc/Si_2_independentk =======
  18. 0.37user 0.03system 0:00.04elapsed 870%CPU (0avgtext+0avgdata 22216maxresident)k
  19. 0inputs+88outputs (0major+4514minor)pagefaults 0swaps
  20.  
  21. ======= scc/H2O2_3rdfull-damp =======
  22. 1.08user 0.07system 0:00.09elapsed 1241%CPU (0avgtext+0avgdata 23232maxresident)k
  23. 488inputs+464outputs (2major+4776minor)pagefaults 0swaps
  24.  
  25. ======= scc/H3 =======
  26. 1.28user 0.06system 0:00.07elapsed 1856%CPU (0avgtext+0avgdata 22056maxresident)k
  27. 296inputs+256outputs (2major+4485minor)pagefaults 0swaps
  28.  
  29. ======= spin/H2 =======
  30. 0.20user 0.02system 0:00.03elapsed 652%CPU (0avgtext+0avgdata 21848maxresident)k
  31. 0inputs+128outputs (0major+4428minor)pagefaults 0swaps
  32.  
  33. ======= analysis/C2H4_localise =======
  34. 0.27user 0.03system 0:00.05elapsed 613%CPU (0avgtext+0avgdata 25492maxresident)k
  35. 656inputs+136outputs (4major+4910minor)pagefaults 0swaps
  36.  
  37. ======= dftb+u/CH3 =======
  38. 2.10user 0.10system 0:00.11elapsed 1936%CPU (0avgtext+0avgdata 21240maxresident)k
  39. 128inputs+752outputs (0major+4794minor)pagefaults 0swaps
  40.  
  41. ======= dispersion/2H2O =======
  42. 1.56user 0.08system 0:00.09elapsed 1713%CPU (0avgtext+0avgdata 23776maxresident)k
  43. 112inputs+368outputs (0major+5073minor)pagefaults 0swaps
  44.  
  45. ======= dispersion/2H2O_uff =======
  46. 1.13user 0.07system 0:00.08elapsed 1436%CPU (0avgtext+0avgdata 25740maxresident)k
  47. 312inputs+368outputs (0major+4998minor)pagefaults 0swaps
  48.  
  49. ======= geoopt/H2O-nonscc =======
  50. 2.11user 0.12system 0:00.11elapsed 1993%CPU (0avgtext+0avgdata 22760maxresident)k
  51. 8inputs+1144outputs (0major+4673minor)pagefaults 0swaps
  52.  
  53. ======= non-scc/CH4 =======
  54. 0.19user 0.03system 0:00.04elapsed 495%CPU (0avgtext+0avgdata 24912maxresident)k
  55. 8inputs+128outputs (0major+4703minor)pagefaults 0swaps
  56.  
  57. ======= non-scc/decapentaene =======
  58. 1.04user 0.12system 0:00.10elapsed 1148%CPU (0avgtext+0avgdata 128112maxresident)k
  59. 1856inputs+104outputs (48major+5352minor)pagefaults 0swaps
  60.  
  61. ======= scc/2H2O-3rdorder =======
  62. 1.22user 0.08system 0:00.08elapsed 1504%CPU (0avgtext+0avgdata 42084maxresident)k
  63. 232inputs+560outputs (0major+4979minor)pagefaults 0swaps
  64.  
  65. ======= scc/C2H6_3rdfull =======
  66. 2.56user 0.11system 0:00.13elapsed 2064%CPU (0avgtext+0avgdata 23824maxresident)k
  67. 24inputs+616outputs (0major+5053minor)pagefaults 0swaps
  68.  
  69. ======= scc/C2H6_3rdfull-damp =======
  70. 2.24user 0.11system 0:00.11elapsed 2017%CPU (0avgtext+0avgdata 21844maxresident)k
  71. 208inputs+712outputs (0major+5061minor)pagefaults 0swaps
  72.  
  73. ======= scc/H2O2_3rdfull =======
  74. 0.89user 0.06system 0:00.07elapsed 1331%CPU (0avgtext+0avgdata 23216maxresident)k
  75. 0inputs+464outputs (0major+4787minor)pagefaults 0swaps
  76.  
  77. ======= scc/H2O2-3rdfull-ldep =======
  78. 1.58user 0.08system 0:00.09elapsed 1737%CPU (0avgtext+0avgdata 23204maxresident)k
  79. 128inputs+608outputs (0major+4864minor)pagefaults 0swaps
  80.  
  81. ======= scc/H2O-extchrg =======
  82. 0.75user 0.06system 0:00.07elapsed 1178%CPU (0avgtext+0avgdata 32932maxresident)k
  83. 0inputs+416outputs (0major+5197minor)pagefaults 0swaps
  84.  
  85. ======= scc/H2O-extchrg-blur =======
  86. 1.07user 0.05system 0:00.08elapsed 1387%CPU (0avgtext+0avgdata 30852maxresident)k
  87. 24inputs+464outputs (0major+5675minor)pagefaults 0swaps
  88.  
  89. ======= scc/H2O-extchrg-direct =======
  90. 1.07user 0.05system 0:00.08elapsed 1356%CPU (0avgtext+0avgdata 30860maxresident)k
  91. 200inputs+464outputs (0major+5187minor)pagefaults 0swaps
  92.  
  93. ======= scc/H2O-extchrg-periodic =======
  94. 0.96user 0.06system 0:00.07elapsed 1300%CPU (0avgtext+0avgdata 30976maxresident)k
  95. 88inputs+416outputs (0major+5216minor)pagefaults 0swaps
  96.  
  97. ======= scc/H2O-extfield =======
  98. 0.52user 0.05system 0:00.06elapsed 912%CPU (0avgtext+0avgdata 30804maxresident)k
  99. 112inputs+176outputs (0major+5634minor)pagefaults 0swaps
  100.  
  101. ======= spin/H2O-periodic =======
  102. 1.50user 0.08system 0:00.09elapsed 1670%CPU (0avgtext+0avgdata 23272maxresident)k
  103. 112inputs+464outputs (0major+4804minor)pagefaults 0swaps
  104.  
  105. ======= spin/OH_commonFermi =======
  106. 1.44user 0.08system 0:00.09elapsed 1615%CPU (0avgtext+0avgdata 29464maxresident)k
  107. 344inputs+544outputs (1major+4803minor)pagefaults 0swaps
  108.  
  109. ======= derivatives/Si_2_Richardson =======
  110. 2.22user 0.11system 0:00.10elapsed 2200%CPU (0avgtext+0avgdata 20216maxresident)k
  111. 0inputs+120outputs (0major+4527minor)pagefaults 0swaps
  112.  
  113. ======= geoopt/H2O-constr =======
  114. 7.80user 0.34system 0:00.30elapsed 2644%CPU (0avgtext+0avgdata 23008maxresident)k
  115. 0inputs+2512outputs (0major+4734minor)pagefaults 0swaps
  116.  
  117. ======= legacy/SiC_polyRep =======
  118. 0.42user 0.02system 0:00.05elapsed 757%CPU (0avgtext+0avgdata 23112maxresident)k
  119. 200inputs+80outputs (0major+4745minor)pagefaults 0swaps
  120.  
  121. ======= scc/C4H8_3rdfull =======
  122. 3.05user 0.16system 0:00.14elapsed 2161%CPU (0avgtext+0avgdata 65000maxresident)k
  123. 128inputs+984outputs (0major+5233minor)pagefaults 0swaps
  124.  
  125. ======= scc/C4H8_3rdfull-damp =======
  126. 3.63user 0.19system 0:00.16elapsed 2295%CPU (0avgtext+0avgdata 69144maxresident)k
  127. 144inputs+1048outputs (0major+5260minor)pagefaults 0swaps
  128.  
  129. ======= spin/Fe4 =======
  130. 1.75user 0.16system 0:00.10elapsed 1903%CPU (0avgtext+0avgdata 113148maxresident)k
  131. 448inputs+544outputs (0major+5326minor)pagefaults 0swaps
  132.  
  133. ======= spin/Fe4_commonFermi =======
  134. 2.58user 0.16system 0:00.12elapsed 2182%CPU (0avgtext+0avgdata 80612maxresident)k
  135. 464inputs+848outputs (0major+5035minor)pagefaults 0swaps
  136.  
  137. ======= timedep/2CH3-Temp =======
  138. 1.64user 0.08system 0:00.10elapsed 1734%CPU (0avgtext+0avgdata 24568maxresident)k
  139. 224inputs+544outputs (2major+5259minor)pagefaults 0swaps
  140.  
  141. ======= timedep/2CH3-Triplet-Temp =======
  142. 1.83user 0.10system 0:00.10elapsed 1823%CPU (0avgtext+0avgdata 24584maxresident)k
  143. 128inputs+544outputs (0major+5283minor)pagefaults 0swaps
  144.  
  145. ======= timedep/NO =======
  146. 1.61user 0.08system 0:00.10elapsed 1645%CPU (0avgtext+0avgdata 23736maxresident)k
  147. 0inputs+632outputs (0major+4959minor)pagefaults 0swaps
  148.  
  149. ======= timedep/propadiene_OscWindow =======
  150. 1.02user 0.05system 0:00.07elapsed 1358%CPU (0avgtext+0avgdata 26664maxresident)k
  151. 328inputs+352outputs (0major+5311minor)pagefaults 0swaps
  152.  
  153. ======= geoopt/H2O =======
  154. 5.86user 0.26system 0:00.24elapsed 2522%CPU (0avgtext+0avgdata 23036maxresident)k
  155. 112inputs+3800outputs (0major+4744minor)pagefaults 0swaps
  156.  
  157. ======= md/Si_8_NHC_restart =======
  158. 4.97user 0.26system 0:00.20elapsed 2505%CPU (0avgtext+0avgdata 84120maxresident)k
  159. 0inputs+312outputs (0major+4798minor)pagefaults 0swaps
  160.  
  161. ======= non-scc/GaAs_2 =======
  162. 1.32user 0.07system 0:00.09elapsed 1451%CPU (0avgtext+0avgdata 27948maxresident)k
  163. 208inputs+136outputs (0major+4928minor)pagefaults 0swaps
  164.  
  165. ======= scc/GaAs_2 =======
  166. 1.16user 0.07system 0:00.09elapsed 1338%CPU (0avgtext+0avgdata 34600maxresident)k
  167. 8inputs+272outputs (0major+5801minor)pagefaults 0swaps
  168.  
  169. ======= scc/GaAs_2_customU =======
  170. 1.20user 0.07system 0:00.10elapsed 1265%CPU (0avgtext+0avgdata 34016maxresident)k
  171. 632inputs+272outputs (0major+5993minor)pagefaults 0swaps
  172.  
  173. ======= spinorbit/Fe2_dual =======
  174. 5.29user 0.34system 0:00.23elapsed 2452%CPU (0avgtext+0avgdata 170844maxresident)k
  175. 360inputs+1512outputs (2major+5552minor)pagefaults 0swaps
  176.  
  177. ======= spinorbit/Si_2 =======
  178. 2.48user 0.11system 0:00.13elapsed 1985%CPU (0avgtext+0avgdata 22648maxresident)k
  179. 8inputs+232outputs (0major+4621minor)pagefaults 0swaps
  180.  
  181. ======= timedep/C4H6-S1-Force =======
  182. 4.71user 0.21system 0:00.20elapsed 2429%CPU (0avgtext+0avgdata 90404maxresident)k
  183. 464inputs+656outputs (1major+5546minor)pagefaults 0swaps
  184.  
  185. ======= timedep/C4H6-Singlet =======
  186. 2.91user 0.13system 0:00.14elapsed 2147%CPU (0avgtext+0avgdata 92328maxresident)k
  187. 8inputs+736outputs (0major+5466minor)pagefaults 0swaps
  188.  
  189. ======= timedep/C4H6-Singlet_wfn =======
  190. 3.74user 0.15system 0:00.17elapsed 2277%CPU (0avgtext+0avgdata 92472maxresident)k
  191. 8inputs+768outputs (0major+5494minor)pagefaults 0swaps
  192.  
  193. ======= timedep/C4H6-T1-Force =======
  194. 3.00user 0.15system 0:00.14elapsed 2137%CPU (0avgtext+0avgdata 92428maxresident)k
  195. 328inputs+768outputs (0major+5537minor)pagefaults 0swaps
  196.  
  197. ======= timedep/C4H6-Triplet =======
  198. 5.20user 0.24system 0:00.22elapsed 2461%CPU (0avgtext+0avgdata 92372maxresident)k
  199. 288inputs+736outputs (0major+5468minor)pagefaults 0swaps
  200.  
  201. ======= dftb+u/Fe4 =======
  202. 5.21user 0.30system 0:00.21elapsed 2532%CPU (0avgtext+0avgdata 109468maxresident)k
  203. 144inputs+1792outputs (0major+5522minor)pagefaults 0swaps
  204.  
  205. ======= geoopt/Cchain_lattice =======
  206. 10.18user 0.40system 0:00.37elapsed 2829%CPU (0avgtext+0avgdata 22200maxresident)k
  207. 8inputs+2752outputs (0major+4530minor)pagefaults 0swaps
  208.  
  209. ======= scc/H2O+CH3COOH-3rdorder =======
  210. 1.89user 0.13system 0:00.13elapsed 1565%CPU (0avgtext+0avgdata 68788maxresident)k
  211. 624inputs+704outputs (0major+5628minor)pagefaults 0swaps
  212.  
  213. ======= spinorbit/Fe2 =======
  214. 6.29user 0.36system 0:00.26elapsed 2523%CPU (0avgtext+0avgdata 169340maxresident)k
  215. 496inputs+2048outputs (0major+5495minor)pagefaults 0swaps
  216.  
  217. ======= non-scc/10-0Ctube_Efield =======
  218. 3.69user 0.23system 0:00.18elapsed 2093%CPU (0avgtext+0avgdata 157360maxresident)k
  219. 240inputs+144outputs (1major+5966minor)pagefaults 0swaps
  220.  
  221. ======= non-scc/10-10Ctube =======
  222. 5.59user 0.30system 0:00.24elapsed 2429%CPU (0avgtext+0avgdata 123312maxresident)k
  223. 0inputs+152outputs (0major+5820minor)pagefaults 0swaps
  224.  
  225. ======= md/H2O-extfield =======
  226. 14.75user 0.59system 0:00.54elapsed 2815%CPU (0avgtext+0avgdata 32932maxresident)k
  227. 200inputs+6416outputs (0major+5202minor)pagefaults 0swaps
  228.  
  229. ======= non-scc/10-0Ctube =======
  230. 3.73user 0.22system 0:00.17elapsed 2238%CPU (0avgtext+0avgdata 115740maxresident)k
  231. 8inputs+136outputs (0major+6200minor)pagefaults 0swaps
  232.  
  233. ======= spin/Fe4_noncolinear =======
  234. 2.86user 0.29system 0:00.16elapsed 1961%CPU (0avgtext+0avgdata 257316maxresident)k
  235. 816inputs+704outputs (8major+7009minor)pagefaults 0swaps
  236.  
  237. ======= non-scc/HBDI-neutral =======
  238. 1.23user 0.25system 0:00.16elapsed 885%CPU (0avgtext+0avgdata 268456maxresident)k
  239. 480inputs+112outputs (0major+6689minor)pagefaults 0swaps
  240.  
  241. ======= non-scc/HBDI-cationic =======
  242. 1.33user 0.18system 0:00.15elapsed 956%CPU (0avgtext+0avgdata 199084maxresident)k
  243. 736inputs+120outputs (0major+6910minor)pagefaults 0swaps
  244.  
  245. ======= scc/C60 =======
  246. 4.43user 0.28system 0:00.23elapsed 2047%CPU (0avgtext+0avgdata 172616maxresident)k
  247. 208inputs+208outputs (0major+6993minor)pagefaults 0swaps
  248.  
  249. ======= spin/H2O =======
  250. 31.54user 1.28system 0:01.10elapsed 2967%CPU (0avgtext+0avgdata 23008maxresident)k
  251. 112inputs+14976outputs (0major+4738minor)pagefaults 0swaps
  252.  
  253. ======= timedep/cyclopentadienyl =======
  254. 6.59user 0.23system 0:00.26elapsed 2548%CPU (0avgtext+0avgdata 125272maxresident)k
  255. 120inputs+1000outputs (0major+5469minor)pagefaults 0swaps
  256.  
  257. ======= timedep/C6H6-Sym =======
  258. 4.15user 0.20system 0:00.18elapsed 2341%CPU (0avgtext+0avgdata 122140maxresident)k
  259. 120inputs+352outputs (0major+6200minor)pagefaults 0swaps
  260.  
  261. ======= timedep/C6H6-Sym_Arnoldi =======
  262. 7.69user 0.32system 0:00.30elapsed 2640%CPU (0avgtext+0avgdata 124272maxresident)k
  263. 24inputs+368outputs (0major+6138minor)pagefaults 0swaps
  264.  
  265. ======= timedep/OCH2-S1-Opt =======
  266. 49.51user 2.03system 0:01.74elapsed 2954%CPU (0avgtext+0avgdata 27728maxresident)k
  267. 432inputs+19104outputs (0major+5470minor)pagefaults 0swaps
  268.  
  269. ======= md/Si_8_restart =======
  270. 24.77user 0.91system 0:00.86elapsed 2956%CPU (0avgtext+0avgdata 80516maxresident)k
  271. 8inputs+1808outputs (0major+5601minor)pagefaults 0swaps
  272.  
  273. ======= spin/GaAs_2 =======
  274. 18.08user 0.63system 0:00.66elapsed 2820%CPU (0avgtext+0avgdata 24652maxresident)k
  275. 216inputs+2960outputs (0major+5180minor)pagefaults 0swaps
  276.  
  277. ======= spin/GaAs-spin-ext =======
  278. 26.55user 0.99system 0:00.97elapsed 2834%CPU (0avgtext+0avgdata 25912maxresident)k
  279. 1392inputs+2960outputs (0major+5482minor)pagefaults 0swaps
  280.  
  281. ======= spinorbit/As4S4 =======
  282. 13.84user 0.78system 0:00.56elapsed 2597%CPU (0avgtext+0avgdata 327624maxresident)k
  283. 560inputs+832outputs (1major+6919minor)pagefaults 0swaps
  284.  
  285. ======= dispersion/DNA-damped =======
  286. 11.92user 0.51system 0:00.56elapsed 2221%CPU (0avgtext+0avgdata 140692maxresident)k
  287. 424inputs+1344outputs (0major+8952minor)pagefaults 0swaps
  288.  
  289. ======= md/ice_Ic =======
  290. 21.35user 0.95system 0:00.81elapsed 2737%CPU (0avgtext+0avgdata 311564maxresident)k
  291. 112inputs+1064outputs (0major+6486minor)pagefaults 0swaps
  292.  
  293. ======= derivatives/C6H6_scc =======
  294. 80.64user 3.45system 0:02.77elapsed 3028%CPU (0avgtext+0avgdata 75344maxresident)k
  295. 400inputs+27952outputs (0major+5276minor)pagefaults 0swaps
  296.  
  297. ======= dftb+u/GaAs_2 =======
  298. 25.80user 0.88system 0:00.94elapsed 2821%CPU (0avgtext+0avgdata 32924maxresident)k
  299. 224inputs+3928outputs (0major+5696minor)pagefaults 0swaps
  300.  
  301. ======= geoopt/diamond_presure =======
  302. 17.74user 0.66system 0:00.68elapsed 2694%CPU (0avgtext+0avgdata 84176maxresident)k
  303. 208inputs+1104outputs (0major+5384minor)pagefaults 0swaps
  304.  
  305. ======= scc/C60_Fermi =======
  306. 18.72user 0.78system 0:00.68elapsed 2868%CPU (0avgtext+0avgdata 113328maxresident)k
  307. 216inputs+1216outputs (0major+6523minor)pagefaults 0swaps
  308.  
  309. ======= scc/10-0Ctube-extfield =======
  310. 17.77user 0.92system 0:00.74elapsed 2523%CPU (0avgtext+0avgdata 315068maxresident)k
  311. 768inputs+664outputs (17major+6698minor)pagefaults 0swaps
  312.  
  313. ======= scc/SiC_64 =======
  314. 20.63user 0.88system 0:00.94elapsed 2282%CPU (0avgtext+0avgdata 183612maxresident)k
  315. 200inputs+776outputs (0major+8409minor)pagefaults 0swaps
  316.  
  317. ======= md/H3 =======
  318. 196.47user 7.74system 0:06.68elapsed 3056%CPU (0avgtext+0avgdata 29840maxresident)k
  319. 0inputs+105208outputs (0major+5435minor)pagefaults 0swaps
  320.  
  321. ======= dispersion/DNA_dftd3_zero =======
  322. 15.06user 0.64system 0:01.05elapsed 1484%CPU (0avgtext+0avgdata 138800maxresident)k
  323. 3960inputs+1248outputs (3major+10361minor)pagefaults 0swaps
  324.  
  325. ======= spinorbit/GaAs_2 =======
  326. 54.81user 2.04system 0:01.97elapsed 2883%CPU (0avgtext+0avgdata 74396maxresident)k
  327. 968inputs+4800outputs (0major+5907minor)pagefaults 0swaps
  328.  
  329. ======= geoopt/Si_2_latconst =======
  330. 100.76user 3.22system 0:03.41elapsed 3046%CPU (0avgtext+0avgdata 20912maxresident)k
  331. 0inputs+9376outputs (0major+4714minor)pagefaults 0swaps
  332.  
  333. ======= md/SiH-surface =======
  334. 38.80user 1.47system 0:01.38elapsed 2900%CPU (0avgtext+0avgdata 234944maxresident)k
  335. 0inputs+2776outputs (0major+6393minor)pagefaults 0swaps
  336.  
  337. ======= geoopt/Si_2_lattice =======
  338. 105.43user 3.57system 0:03.56elapsed 3057%CPU (0avgtext+0avgdata 22432maxresident)k
  339. 0inputs+11904outputs (0major+4547minor)pagefaults 0swaps
  340.  
  341. ======= md/Si_8_NHC =======
  342. 210.12user 7.63system 0:07.06elapsed 3082%CPU (0avgtext+0avgdata 82156maxresident)k
  343. 0inputs+17000outputs (0major+4813minor)pagefaults 0swaps
  344.  
  345. ======= timedep/C66O10N4H44_Ewindow =======
  346. 67.13user 2.46system 0:02.39elapsed 2907%CPU (0avgtext+0avgdata 212116maxresident)k
  347. 704inputs+3504outputs (0major+9800minor)pagefaults 0swaps
  348.  
  349. ======= spin/Fe4_Fermi =======
  350. 255.33user 9.99system 0:08.62elapsed 3076%CPU (0avgtext+0avgdata 80476maxresident)k
  351. 0inputs+64336outputs (0major+5016minor)pagefaults 0swaps
  352.  
  353. ======= non-scc/Si41C23N35 =======
  354. 15.13user 0.63system 0:01.63elapsed 965%CPU (0avgtext+0avgdata 275924maxresident)k
  355. 808inputs+536outputs (0major+8463minor)pagefaults 0swaps
  356.  
  357. ======= geoopt/diamond_isotropic =======
  358. 124.34user 4.16system 0:04.32elapsed 2971%CPU (0avgtext+0avgdata 86844maxresident)k
  359. 208inputs+6216outputs (0major+5483minor)pagefaults 0swaps
  360.  
  361. ======= spinorbit/EuN =======
  362. 234.89user 8.31system 0:07.94elapsed 3061%CPU (0avgtext+0avgdata 192628maxresident)k
  363. 480inputs+6704outputs (0major+6980minor)pagefaults 0swaps
  364.  
  365. ======= geoopt/Si_6 =======
  366. 218.30user 7.39system 0:07.36elapsed 3065%CPU (0avgtext+0avgdata 73004maxresident)k
  367. 424inputs+22296outputs (2major+5293minor)pagefaults 0swaps
  368.  
  369. ======= md/ptcda-xlbomdfast =======
  370. 293.98user 10.79system 0:09.93elapsed 3067%CPU (0avgtext+0avgdata 171796maxresident)k
  371. 768inputs+31880outputs (1major+7247minor)pagefaults 0swaps
  372.  
  373. ======= spinorbit/EuN_customU =======
  374. 272.77user 9.79system 0:09.23elapsed 3060%CPU (0avgtext+0avgdata 193380maxresident)k
  375. 480inputs+7120outputs (0major+7311minor)pagefaults 0swaps
  376.  
  377. ======= dispersion/DNA =======
  378. 204.67user 7.61system 0:07.36elapsed 2881%CPU (0avgtext+0avgdata 130816maxresident)k
  379. 992inputs+34056outputs (0major+7793minor)pagefaults 0swaps
  380.  
  381. ======= spinorbit/Si2_dual =======
  382. 187.77user 6.28system 0:08.91elapsed 2176%CPU (0avgtext+0avgdata 61332maxresident)k
  383. 0inputs+18512outputs (0major+5785minor)pagefaults 0swaps
  384.  
  385. ======= md/Si_8 =======
  386. 384.34user 13.95system 0:12.94elapsed 3077%CPU (0avgtext+0avgdata 81300maxresident)k
  387. 192inputs+52128outputs (0major+5768minor)pagefaults 0swaps
  388.  
  389. ======= md/Si_8-thermostat2 =======
  390. 365.57user 13.13system 0:12.32elapsed 3073%CPU (0avgtext+0avgdata 83364maxresident)k
  391. 496inputs+55272outputs (0major+5907minor)pagefaults 0swaps
  392.  
  393. ======= geoopt/GaAs_8_latconst =======
  394. 162.71user 5.59system 0:06.12elapsed 2749%CPU (0avgtext+0avgdata 178164maxresident)k
  395. 0inputs+14912outputs (0major+6995minor)pagefaults 0swaps
  396.  
  397. ======= md/Si_8-thermostat =======
  398. 422.54user 15.33system 0:14.24elapsed 3073%CPU (0avgtext+0avgdata 83356maxresident)k
  399. 496inputs+54880outputs (0major+5784minor)pagefaults 0swaps
  400.  
  401. ======= md/ptcda-xlbomdfast-ldep =======
  402. 339.09user 12.83system 0:11.50elapsed 3058%CPU (0avgtext+0avgdata 183148maxresident)k
  403. 744inputs+46912outputs (0major+7160minor)pagefaults 0swaps
  404.  
  405. ======= md/Si_8-tempprofile =======
  406. 455.23user 16.61system 0:15.34elapsed 3075%CPU (0avgtext+0avgdata 82936maxresident)k
  407. 280inputs+67712outputs (0major+5045minor)pagefaults 0swaps
  408.  
  409. ======= dispersion/DNA_dftd3_bj =======
  410. 25.61user 0.71system 0:09.33elapsed 281%CPU (0avgtext+0avgdata 154760maxresident)k
  411. 728inputs+1248outputs (0major+9906minor)pagefaults 0swaps
  412.  
  413. ======= geoopt/Vsi+O-nonscc =======
  414. 66.18user 2.32system 0:02.84elapsed 2410%CPU (0avgtext+0avgdata 335100maxresident)k
  415. 208inputs+1936outputs (0major+8053minor)pagefaults 0swaps
  416.  
  417. ======= non-scc/Si_384 =======
  418. 18.37user 0.79system 0:02.56elapsed 748%CPU (0avgtext+0avgdata 362192maxresident)k
  419. 64inputs+752outputs (0major+10334minor)pagefaults 0swaps
  420.  
  421. ======= md/DNA =======
  422. 1086.61user 41.59system 0:36.66elapsed 3077%CPU (0avgtext+0avgdata 150932maxresident)k
  423. 2832inputs+226312outputs (0major+6951minor)pagefaults 0swaps
  424.  
  425. ======= md/DNA_Berendsen2 =======
  426. 909.03user 35.19system 0:29.97elapsed 3149%CPU (0avgtext+0avgdata 152576maxresident)k
  427. 2944inputs+226800outputs (0major+6892minor)pagefaults 0swaps
  428.  
  429. ======= md/ptcda-xlbomd =======
  430. 680.26user 26.03system 0:23.00elapsed 3070%CPU (0avgtext+0avgdata 172452maxresident)k
  431. 1272inputs+126680outputs (0major+7010minor)pagefaults 0swaps
  432.  
  433. ======= md/SiC64-xlbomdfast-T0 =======
  434. 481.83user 16.93system 0:24.10elapsed 2068%CPU (0avgtext+0avgdata 214424maxresident)k
  435. 520inputs+21312outputs (0major+9383minor)pagefaults 0swaps
  436.  
  437. ======= md/SiC64-xlbomdfast =======
  438. 477.02user 17.02system 0:24.28elapsed 2034%CPU (0avgtext+0avgdata 200984maxresident)k
  439. 328inputs+21312outputs (0major+9157minor)pagefaults 0swaps
  440.  
  441. ======= timedep/C66O10N4H44_OscWindow =======
  442. 194.28user 3.66system 0:06.56elapsed 3016%CPU (0avgtext+0avgdata 178572maxresident)k
  443. 776inputs+7152outputs (0major+10471minor)pagefaults 0swaps
  444.  
  445. ======= timedep/C60_OscWindow =======
  446. 302.84user 4.67system 0:09.99elapsed 3076%CPU (0avgtext+0avgdata 143852maxresident)k
  447. 0inputs+504outputs (0major+8302minor)pagefaults 0swaps
  448.  
  449. ======= timedep/C60_EandOsc =======
  450. 345.10user 4.67system 0:11.34elapsed 3082%CPU (0avgtext+0avgdata 157332maxresident)k
  451. 224inputs+504outputs (0major+7633minor)pagefaults 0swaps
  452.  
  453. ======= non-scc/Si_216 =======
  454. 47.15user 1.09system 0:03.46elapsed 1391%CPU (0avgtext+0avgdata 390208maxresident)k
  455. 40inputs+848outputs (0major+8164minor)pagefaults 0swaps
  456.  
  457. ======= md/ptcda-xlbomd-ldep =======
  458. 1530.30user 58.17system 0:51.65elapsed 3075%CPU (0avgtext+0avgdata 173048maxresident)k
  459. 7368inputs+312448outputs (0major+7099minor)pagefaults 0swaps
  460.  
  461. ======= geoopt/Vsi+O =======
  462. 222.34user 6.68system 0:07.78elapsed 2943%CPU (0avgtext+0avgdata 331188maxresident)k
  463. 56inputs+9416outputs (0major+8919minor)pagefaults 0swaps
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