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Jul 10th, 2017
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  1. Input:
  2. &gateway
  3. coord
  4. /path/to/xyz/file
  5. basis
  6. ano-rcc-vdzp
  7. &seward
  8. expert
  9. chol
  10.  
  11. Output:
  12.  
  13. --- Start Module: seward at Mon Jul 10 09:20:44 2017
  14. ----------------------------------------------------------------------------------------------------
  15. DGA/MPI-2 Parallel Environment: 8 Molcas's processes are running on 1 node(s) x 8 cores each
  16. ----------------------------------------------------------------------------------------------------
  17.  
  18. ()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()
  19.  
  20. &SEWARD
  21.  
  22. launched 8 MPI processes, running in PARALLEL mode (work-sharing enabled)
  23. available to each process: 8.0 GB of memory, 1 thread
  24. ()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()
  25.  
  26. ###############################################################################
  27. ###############################################################################
  28. ### ###
  29. ### ###
  30. ### ###
  31. ### WARNING: EXPERT option is ON! ###
  32. ### ###
  33. ### ###
  34. ###############################################################################
  35. ###############################################################################
  36. SEWARD will generate:
  37. Multipole Moment integrals up to order 2
  38. Kinetic Energy integrals
  39. Nuclear Attraction integrals (point charge)
  40. One-Electron Hamiltonian integrals
  41. Velocity integrals
  42. Relativistic Douglas-Kroll-Hess integrals:
  43. - Parametrization : EXP
  44. - DKH order of Hamiltonian: 2
  45. - DKH order of Properties : 0
  46. - multipole moment operators
  47. - electric potential operators
  48. - contact operators
  49. Atomic mean-field integrals
  50. Cholesky decomposed two-electron repulsion integrals
  51. - CD Threshold: 0.10E-03
  52.  
  53. Integrals are discarded if absolute value <: 0.10E-39
  54. Integral cutoff threshold is set to <: 0.10E-39
  55.  
  56. ++ SO/AO info:
  57. -----------
  58.  
  59. **************************************************
  60. ********** Petite list Basis Functions ***********
  61. **************************************************
  62.  
  63.  
  64. Basis functions generated by E
  65.  
  66. Basis Label Type Center
  67. 1 C1 1s 1
  68. 2 C1 2s 1
  69. 3 C1 3s 1
  70. 4 C1 2px 1
  71. 5 C1 3px 1
  72. 6 C1 2py 1
  73. 7 C1 3py 1
  74. 8 C1 2pz 1
  75. 9 C1 3pz 1
  76. 10 C1 3d2- 1
  77. 11 C1 3d1- 1
  78. 12 C1 3d0 1
  79. 13 C1 3d1+ 1
  80. 14 C1 3d2+ 1
  81. 15 C2 1s 2
  82. 16 C2 2s 2
  83. 17 C2 3s 2
  84. 18 C2 2px 2
  85. 19 C2 3px 2
  86. 20 C2 2py 2
  87. 21 C2 3py 2
  88. 22 C2 2pz 2
  89. 23 C2 3pz 2
  90. 24 C2 3d2- 2
  91. 25 C2 3d1- 2
  92. 26 C2 3d0 2
  93. 27 C2 3d1+ 2
  94. 28 C2 3d2+ 2
  95. 29 C3 1s 3
  96. 30 C3 2s 3
  97. 31 C3 3s 3
  98. 32 C3 2px 3
  99. 33 C3 3px 3
  100. 34 C3 2py 3
  101. 35 C3 3py 3
  102. 36 C3 2pz 3
  103. 37 C3 3pz 3
  104. 38 C3 3d2- 3
  105. 39 C3 3d1- 3
  106. 40 C3 3d0 3
  107. 41 C3 3d1+ 3
  108. 42 C3 3d2+ 3
  109. 43 C4 1s 4
  110. 44 C4 2s 4
  111. 45 C4 3s 4
  112. 46 C4 2px 4
  113. 47 C4 3px 4
  114. 48 C4 2py 4
  115. 49 C4 3py 4
  116. 50 C4 2pz 4
  117. 51 C4 3pz 4
  118. 52 C4 3d2- 4
  119. 53 C4 3d1- 4
  120. 54 C4 3d0 4
  121. 55 C4 3d1+ 4
  122. 56 C4 3d2+ 4
  123. 57 C5 1s 5
  124. 58 C5 2s 5
  125. 59 C5 3s 5
  126. 60 C5 2px 5
  127. 61 C5 3px 5
  128. 62 C5 2py 5
  129. 63 C5 3py 5
  130. 64 C5 2pz 5
  131. 65 C5 3pz 5
  132. 66 C5 3d2- 5
  133. 67 C5 3d1- 5
  134. 68 C5 3d0 5
  135. 69 C5 3d1+ 5
  136. 70 C5 3d2+ 5
  137. 71 C6 1s 6
  138. 72 C6 2s 6
  139. 73 C6 3s 6
  140. 74 C6 2px 6
  141. 75 C6 3px 6
  142. 76 C6 2py 6
  143. 77 C6 3py 6
  144. 78 C6 2pz 6
  145. 79 C6 3pz 6
  146. 80 C6 3d2- 6
  147. 81 C6 3d1- 6
  148. 82 C6 3d0 6
  149. 83 C6 3d1+ 6
  150. 84 C6 3d2+ 6
  151. 85 H7 1s 7
  152. 86 H7 2s 7
  153. 87 H7 2px 7
  154. 88 H7 2py 7
  155. 89 H7 2pz 7
  156. 90 H8 1s 8
  157. 91 H8 2s 8
  158. 92 H8 2px 8
  159. 93 H8 2py 8
  160. 94 H8 2pz 8
  161. 95 H9 1s 9
  162. 96 H9 2s 9
  163. 97 H9 2px 9
  164. 98 H9 2py 9
  165. 99 H9 2pz 9
  166. 100 H10 1s 10
  167. 101 H10 2s 10
  168. 102 H10 2px 10
  169. 103 H10 2py 10
  170. 104 H10 2pz 10
  171. 105 C11 1s 11
  172. 106 C11 2s 11
  173. 107 C11 3s 11
  174. 108 C11 2px 11
  175. 109 C11 3px 11
  176. 110 C11 2py 11
  177. 111 C11 3py 11
  178. 112 C11 2pz 11
  179. 113 C11 3pz 11
  180. 114 C11 3d2- 11
  181. 115 C11 3d1- 11
  182. 116 C11 3d0 11
  183. 117 C11 3d1+ 11
  184. 118 C11 3d2+ 11
  185. 119 H12 1s 12
  186. 120 H12 2s 12
  187. 121 H12 2px 12
  188. 122 H12 2py 12
  189. 123 H12 2pz 12
  190. 124 H13 1s 13
  191. 125 H13 2s 13
  192. 126 H13 2px 13
  193. 127 H13 2py 13
  194. 128 H13 2pz 13
  195. 129 N14 1s 14
  196. 130 N14 2s 14
  197. 131 N14 3s 14
  198. 132 N14 2px 14
  199. 133 N14 3px 14
  200. 134 N14 2py 14
  201. 135 N14 3py 14
  202. 136 N14 2pz 14
  203. 137 N14 3pz 14
  204. 138 N14 3d2- 14
  205. 139 N14 3d1- 14
  206. 140 N14 3d0 14
  207. 141 N14 3d1+ 14
  208. 142 N14 3d2+ 14
  209. 143 H15 1s 15
  210. 144 H15 2s 15
  211. 145 H15 2px 15
  212. 146 H15 2py 15
  213. 147 H15 2pz 15
  214. 148 S16 1s 16
  215. 149 S16 2s 16
  216. 150 S16 3s 16
  217. 151 S16 4s 16
  218. 152 S16 2px 16
  219. 153 S16 3px 16
  220. 154 S16 4px 16
  221. 155 S16 2py 16
  222. 156 S16 3py 16
  223. 157 S16 4py 16
  224. 158 S16 2pz 16
  225. 159 S16 3pz 16
  226. 160 S16 4pz 16
  227. 161 S16 3d2- 16
  228. 162 S16 3d1- 16
  229. 163 S16 3d0 16
  230. 164 S16 3d1+ 16
  231. 165 S16 3d2+ 16
  232. 166 O17 1s 17
  233. 167 O17 2s 17
  234. 168 O17 3s 17
  235. 169 O17 2px 17
  236. 170 O17 3px 17
  237. 171 O17 2py 17
  238. 172 O17 3py 17
  239. 173 O17 2pz 17
  240. 174 O17 3pz 17
  241. 175 O17 3d2- 17
  242. 176 O17 3d1- 17
  243. 177 O17 3d0 17
  244. 178 O17 3d1+ 17
  245. 179 O17 3d2+ 17
  246. 180 O18 1s 18
  247. 181 O18 2s 18
  248. 182 O18 3s 18
  249. 183 O18 2px 18
  250. 184 O18 3px 18
  251. 185 O18 2py 18
  252. 186 O18 3py 18
  253. 187 O18 2pz 18
  254. 188 O18 3pz 18
  255. 189 O18 3d2- 18
  256. 190 O18 3d1- 18
  257. 191 O18 3d0 18
  258. 192 O18 3d1+ 18
  259. 193 O18 3d2+ 18
  260. 194 C19 1s 19
  261. 195 C19 2s 19
  262. 196 C19 3s 19
  263. 197 C19 2px 19
  264. 198 C19 3px 19
  265. 199 C19 2py 19
  266. 200 C19 3py 19
  267. 201 C19 2pz 19
  268. 202 C19 3pz 19
  269. 203 C19 3d2- 19
  270. 204 C19 3d1- 19
  271. 205 C19 3d0 19
  272. 206 C19 3d1+ 19
  273. 207 C19 3d2+ 19
  274. 208 C20 1s 20
  275. 209 C20 2s 20
  276. 210 C20 3s 20
  277. 211 C20 2px 20
  278. 212 C20 3px 20
  279. 213 C20 2py 20
  280. 214 C20 3py 20
  281. 215 C20 2pz 20
  282. 216 C20 3pz 20
  283. 217 C20 3d2- 20
  284. 218 C20 3d1- 20
  285. 219 C20 3d0 20
  286. 220 C20 3d1+ 20
  287. 221 C20 3d2+ 20
  288. 222 C21 1s 21
  289. 223 C21 2s 21
  290. 224 C21 3s 21
  291. 225 C21 2px 21
  292. 226 C21 3px 21
  293. 227 C21 2py 21
  294. 228 C21 3py 21
  295. 229 C21 2pz 21
  296. 230 C21 3pz 21
  297. 231 C21 3d2- 21
  298. 232 C21 3d1- 21
  299. 233 C21 3d0 21
  300. 234 C21 3d1+ 21
  301. 235 C21 3d2+ 21
  302. 236 C22 1s 22
  303. 237 C22 2s 22
  304. 238 C22 3s 22
  305. 239 C22 2px 22
  306. 240 C22 3px 22
  307. 241 C22 2py 22
  308. 242 C22 3py 22
  309. 243 C22 2pz 22
  310. 244 C22 3pz 22
  311. 245 C22 3d2- 22
  312. 246 C22 3d1- 22
  313. 247 C22 3d0 22
  314. 248 C22 3d1+ 22
  315. 249 C22 3d2+ 22
  316. 250 H23 1s 23
  317. 251 H23 2s 23
  318. 252 H23 2px 23
  319. 253 H23 2py 23
  320. 254 H23 2pz 23
  321. 255 C24 1s 24
  322. 256 C24 2s 24
  323. 257 C24 3s 24
  324. 258 C24 2px 24
  325. 259 C24 3px 24
  326. 260 C24 2py 24
  327. 261 C24 3py 24
  328. 262 C24 2pz 24
  329. 263 C24 3pz 24
  330. 264 C24 3d2- 24
  331. 265 C24 3d1- 24
  332. 266 C24 3d0 24
  333. 267 C24 3d1+ 24
  334. 268 C24 3d2+ 24
  335. 269 H25 1s 25
  336. 270 H25 2s 25
  337. 271 H25 2px 25
  338. 272 H25 2py 25
  339. 273 H25 2pz 25
  340. 274 C26 1s 26
  341. 275 C26 2s 26
  342. 276 C26 3s 26
  343. 277 C26 2px 26
  344. 278 C26 3px 26
  345. 279 C26 2py 26
  346. 280 C26 3py 26
  347. 281 C26 2pz 26
  348. 282 C26 3pz 26
  349. 283 C26 3d2- 26
  350. 284 C26 3d1- 26
  351. 285 C26 3d0 26
  352. 286 C26 3d1+ 26
  353. 287 C26 3d2+ 26
  354. 288 H27 1s 27
  355. 289 H27 2s 27
  356. 290 H27 2px 27
  357. 291 H27 2py 27
  358. 292 H27 2pz 27
  359. 293 H28 1s 28
  360. 294 H28 2s 28
  361. 295 H28 2px 28
  362. 296 H28 2py 28
  363. 297 H28 2pz 28
  364. 298 C29 1s 29
  365. 299 C29 2s 29
  366. 300 C29 3s 29
  367. 301 C29 2px 29
  368. 302 C29 3px 29
  369. 303 C29 2py 29
  370. 304 C29 3py 29
  371. 305 C29 2pz 29
  372. 306 C29 3pz 29
  373. 307 C29 3d2- 29
  374. 308 C29 3d1- 29
  375. 309 C29 3d0 29
  376. 310 C29 3d1+ 29
  377. 311 C29 3d2+ 29
  378. 312 N30 1s 30
  379. 313 N30 2s 30
  380. 314 N30 3s 30
  381. 315 N30 2px 30
  382. 316 N30 3px 30
  383. 317 N30 2py 30
  384. 318 N30 3py 30
  385. 319 N30 2pz 30
  386. 320 N30 3pz 30
  387. 321 N30 3d2- 30
  388. 322 N30 3d1- 30
  389. 323 N30 3d0 30
  390. 324 N30 3d1+ 30
  391. 325 N30 3d2+ 30
  392. 326 C31 1s 31
  393. 327 C31 2s 31
  394. 328 C31 3s 31
  395. 329 C31 2px 31
  396. 330 C31 3px 31
  397. 331 C31 2py 31
  398. 332 C31 3py 31
  399. 333 C31 2pz 31
  400. 334 C31 3pz 31
  401. 335 C31 3d2- 31
  402. 336 C31 3d1- 31
  403. 337 C31 3d0 31
  404. 338 C31 3d1+ 31
  405. 339 C31 3d2+ 31
  406. 340 H32 1s 32
  407. 341 H32 2s 32
  408. 342 H32 2px 32
  409. 343 H32 2py 32
  410. 344 H32 2pz 32
  411. 345 H33 1s 33
  412. 346 H33 2s 33
  413. 347 H33 2px 33
  414. 348 H33 2py 33
  415. 349 H33 2pz 33
  416. 350 H34 1s 34
  417. 351 H34 2s 34
  418. 352 H34 2px 34
  419. 353 H34 2py 34
  420. 354 H34 2pz 34
  421.  
  422. Basis set specifications :
  423. Symmetry species a
  424. Basis functions 354
  425. --
  426.  
  427.  
  428. Nuclear Potential Energy 1697.34449869 au
  429.  
  430.  
  431. Basis set specifications :
  432. Symmetry species a
  433. Basis functions 354
  434.  
  435. SO-integrals were calculated for C: [He]2s^2 2p^2
  436. SO-integrals were calculated for H: no mean-field
  437. SO-integrals were calculated for O: [He]2s^2 2p^4
  438. SO-integrals were calculated for O: [He]2s^2 2p^4
  439. SO-integrals were calculated for H: no mean-field
  440. SO-integrals were calculated for H: no mean-field
  441. SO-integrals were calculated for C: [He]2s^2 2p^2
  442.  
  443.  
  444. ********************************************************************************
  445. * *
  446. * Cholesky Decomposition of Two-Electron Repulsion Integrals *
  447. * *
  448. ********************************************************************************
  449.  
  450.  
  451.  
  452.  
  453.  
  454. ***** Cholesky initialization completed *****
  455. Total CPU time: 0 hours 0 minutes 0.00 seconds
  456. Total wall time: 0 hours 0 minutes 0.01 seconds
  457.  
  458.  
  459.  
  460. ***** Starting Cholesky diagonal setup *****
  461.  
  462.  
  463.  
  464. ***** Cholesky diagonal setup completed *****
  465. Total CPU time: 0 hours 0 minutes 0.48 seconds
  466. Total wall time: 0 hours 0 minutes 0.51 seconds
  467.  
  468.  
  469.  
  470. ***** Starting Cholesky decomposition *****
  471. CHO_GETINT: no integrals calculated; unable to proceed to decomposition!
  472. Max. abs. diagonal for shell pair 50 ,
  473. 50 : 7.551381807523348E-002
  474. Max. abs. diagonal allowed: 9.015022963172249E-002 (sym.
  475. 1 )
  476.  
  477.  
  478. ***
  479. *** Error in Cholesky Core Routine
  480. *** Message: Severe error in CHO_GETINT
  481. *** Code : 104
  482. ***
  483.  
  484.  
  485. [ process 0]: xquit (rc = 166): _CHO_RUN_
  486. [ process 1]: xquit (rc = 166): _CHO_RUN_
  487. [ process 2]: xquit (rc = 166): _CHO_RUN_
  488. [ process 3]: xquit (rc = 166): _CHO_RUN_
  489. [ process 4]: xquit (rc = 166): _CHO_RUN_
  490. [ process 5]: xquit (rc = 166): _CHO_RUN_
  491. [ process 6]: xquit (rc = 166): _CHO_RUN_
  492. [ process 7]: xquit (rc = 166): _CHO_RUN_
  493. forrtl: severe (174): SIGSEGV, segmentation fault occurred
  494. Image PC Routine Line Source
  495. seward.exe 000000000094C551 Unknown Unknown Unknown
  496. seward.exe 000000000094A68B Unknown Unknown Unknown
  497. seward.exe 00000000008F5064 Unknown Unknown Unknown
  498. seward.exe 00000000008F4E76 Unknown Unknown Unknown
  499. seward.exe 00000000008948B7 Unknown Unknown Unknown
  500. seward.exe 000000000089DC00 Unknown Unknown Unknown
  501. libpthread-2.17.s 00002AAAAC19A100 Unknown Unknown Unknown
  502. seward.exe 0000000000955F37 Unknown Unknown Unknown
  503. seward.exe 0000000000895D32 Unknown Unknown Unknown
  504. seward.exe 000000000079059F Unknown Unknown Unknown
  505. seward.exe 000000000078D85C Unknown Unknown Unknown
  506. seward.exe 000000000045D85D Unknown Unknown Unknown
  507. seward.exe 00000000004A173D Unknown Unknown Unknown
  508. seward.exe 000000000049B65B Unknown Unknown Unknown
  509. seward.exe 0000000000464999 Unknown Unknown Unknown
  510. seward.exe 000000000045D38E Unknown Unknown Unknown
  511. seward.exe 000000000040672F Unknown Unknown Unknown
  512. seward.exe 0000000000404ED0 Unknown Unknown Unknown
  513. seward.exe 0000000000404E6E Unknown Unknown Unknown
  514. libc-2.17.so 00002AAAAC6CAB15 __libc_start_main Unknown Unknown
  515. seward.exe 0000000000404D69 Unknown Unknown Unknown
  516. forrtl: severe (174): SIGSEGV, segmentation fault occurred
  517. Image PC Routine Line Source
  518. seward.exe 000000000094C551 Unknown Unknown Unknown
  519. seward.exe 000000000094A68B Unknown Unknown Unknown
  520. seward.exe 00000000008F5064 Unknown Unknown Unknown
  521. seward.exe 00000000008F4E76 Unknown Unknown Unknown
  522. seward.exe 00000000008948B7 Unknown Unknown Unknown
  523. seward.exe 000000000089DC00 Unknown Unknown Unknown
  524. libpthread-2.17.s 00002AAAAC19A100 Unknown Unknown Unknown
  525. seward.exe 0000000000955F37 Unknown Unknown Unknown
  526. seward.exe 0000000000895D32 Unknown Unknown Unknown
  527. seward.exe 000000000079059F Unknown Unknown Unknown
  528. seward.exe 000000000078D85C Unknown Unknown Unknown
  529. seward.exe 000000000045D85D Unknown Unknown Unknown
  530. seward.exe 00000000004A173D Unknown Unknown Unknown
  531. seward.exe 000000000049B65B Unknown Unknown Unknown
  532. seward.exe 0000000000464999 Unknown Unknown Unknown
  533. seward.exe 000000000045D38E Unknown Unknown Unknown
  534. seward.exe 000000000040672F Unknown Unknown Unknown
  535. seward.exe 0000000000404ED0 Unknown Unknown Unknown
  536. seward.exe 0000000000404E6E Unknown Unknown Unknown
  537. libc-2.17.so 00002AAAAC6CAB15 __libc_start_main Unknown Unknown
  538. seward.exe 0000000000404D69 Unknown Unknown Unknown
  539. forrtl: severe (174): SIGSEGV, segmentation fault occurred
  540. Image PC Routine Line Source
  541. seward.exe 000000000094C551 Unknown Unknown Unknown
  542. seward.exe 000000000094A68B Unknown Unknown Unknown
  543. seward.exe 00000000008F5064 Unknown Unknown Unknown
  544. seward.exe 00000000008F4E76 Unknown Unknown Unknown
  545. seward.exe 00000000008948B7 Unknown Unknown Unknown
  546. seward.exe 000000000089DC00 Unknown Unknown Unknown
  547. libpthread-2.17.s 00002AAAAC19A100 Unknown Unknown Unknown
  548. seward.exe 0000000000955F37 Unknown Unknown Unknown
  549. seward.exe 0000000000895D32 Unknown Unknown Unknown
  550. seward.exe 000000000079059F Unknown Unknown Unknown
  551. seward.exe 000000000078D85C Unknown Unknown Unknown
  552. seward.exe 000000000045D85D Unknown Unknown Unknown
  553. seward.exe 00000000004A173D Unknown Unknown Unknown
  554. seward.exe 000000000049B65B Unknown Unknown Unknown
  555. seward.exe 0000000000464999 Unknown Unknown Unknown
  556. seward.exe 000000000045D38E Unknown Unknown Unknown
  557. seward.exe 000000000040672F Unknown Unknown Unknown
  558. seward.exe 0000000000404ED0 Unknown Unknown Unknown
  559. seward.exe 0000000000404E6E Unknown Unknown Unknown
  560. libc-2.17.so 00002AAAAC6CAB15 __libc_start_main Unknown Unknown
  561. seward.exe 0000000000404D69 Unknown Unknown Unknown
  562. forrtl: severe (174): SIGSEGV, segmentation fault occurred
  563. Image PC Routine Line Source
  564. seward.exe 000000000094C551 Unknown Unknown Unknown
  565. seward.exe 000000000094A68B Unknown Unknown Unknown
  566. seward.exe 00000000008F5064 Unknown Unknown Unknown
  567. seward.exe 00000000008F4E76 Unknown Unknown Unknown
  568. seward.exe 00000000008948B7 Unknown Unknown Unknown
  569. seward.exe 000000000089DC00 Unknown Unknown Unknown
  570. libpthread-2.17.s 00002AAAAC19A100 Unknown Unknown Unknown
  571. seward.exe 0000000000955F37 Unknown Unknown Unknown
  572. seward.exe 0000000000895D32 Unknown Unknown Unknown
  573. seward.exe 000000000079059F Unknown Unknown Unknown
  574. seward.exe 000000000078D85C Unknown Unknown Unknown
  575. seward.exe 000000000045D85D Unknown Unknown Unknown
  576. seward.exe 00000000004A173D Unknown Unknown Unknown
  577. seward.exe 000000000049B65B Unknown Unknown Unknown
  578. seward.exe 0000000000464999 Unknown Unknown Unknown
  579. seward.exe 000000000045D38E Unknown Unknown Unknown
  580. seward.exe 000000000040672F Unknown Unknown Unknown
  581. seward.exe 0000000000404ED0 Unknown Unknown Unknown
  582. seward.exe 0000000000404E6E Unknown Unknown Unknown
  583. libc-2.17.so 00002AAAAC6CAB15 __libc_start_main Unknown Unknown
  584. seward.exe 0000000000404D69 Unknown Unknown Unknown
  585. forrtl: severe (174): SIGSEGV, segmentation fault occurred
  586. Image PC Routine Line Source
  587. seward.exe 000000000094C551 Unknown Unknown Unknown
  588. seward.exe 000000000094A68B Unknown Unknown Unknown
  589. seward.exe 00000000008F5064 Unknown Unknown Unknown
  590. seward.exe 00000000008F4E76 Unknown Unknown Unknown
  591. seward.exe 00000000008948B7 Unknown Unknown Unknown
  592. seward.exe 000000000089DC00 Unknown Unknown Unknown
  593. libpthread-2.17.s 00002AAAAC19A100 Unknown Unknown Unknown
  594. seward.exe 0000000000955F37 Unknown Unknown Unknown
  595. seward.exe 0000000000895D32 Unknown Unknown Unknown
  596. seward.exe 000000000079059F Unknown Unknown Unknown
  597. seward.exe 000000000078D85C Unknown Unknown Unknown
  598. seward.exe 000000000045D85D Unknown Unknown Unknown
  599. seward.exe 00000000004A173D Unknown Unknown Unknown
  600. seward.exe 000000000049B65B Unknown Unknown Unknown
  601. seward.exe 0000000000464999 Unknown Unknown Unknown
  602. seward.exe 000000000045D38E Unknown Unknown Unknown
  603. seward.exe 000000000040672F Unknown Unknown Unknown
  604. seward.exe 0000000000404ED0 Unknown Unknown Unknown
  605. seward.exe 0000000000404E6E Unknown Unknown Unknown
  606. libc-2.17.so 00002AAAAC6CAB15 __libc_start_main Unknown Unknown
  607. seward.exe 0000000000404D69 Unknown Unknown Unknown
  608. forrtl: severe (174): SIGSEGV, segmentation fault occurred
  609. Image PC Routine Line Source
  610. seward.exe 000000000094C551 Unknown Unknown Unknown
  611. seward.exe 000000000094A68B Unknown Unknown Unknown
  612. seward.exe 00000000008F5064 Unknown Unknown Unknown
  613. seward.exe 00000000008F4E76 Unknown Unknown Unknown
  614. seward.exe 00000000008948B7 Unknown Unknown Unknown
  615. seward.exe 000000000089DC00 Unknown Unknown Unknown
  616. libpthread-2.17.s 00002AAAAC19A100 Unknown Unknown Unknown
  617. seward.exe 0000000000955F37 Unknown Unknown Unknown
  618. seward.exe 0000000000895D32 Unknown Unknown Unknown
  619. seward.exe 000000000079059F Unknown Unknown Unknown
  620. seward.exe 000000000078D85C Unknown Unknown Unknown
  621. seward.exe 000000000045D85D Unknown Unknown Unknown
  622. seward.exe 00000000004A173D Unknown Unknown Unknown
  623. seward.exe 000000000049B65B Unknown Unknown Unknown
  624. seward.exe 0000000000464999 Unknown Unknown Unknown
  625. seward.exe 000000000045D38E Unknown Unknown Unknown
  626. seward.exe 000000000040672F Unknown Unknown Unknown
  627. seward.exe 0000000000404ED0 Unknown Unknown Unknown
  628. seward.exe 0000000000404E6E Unknown Unknown Unknown
  629. libc-2.17.so 00002AAAAC6CAB15 __libc_start_main Unknown Unknown
  630. seward.exe 0000000000404D69 Unknown Unknown Unknown
  631. forrtl: severe (174): SIGSEGV, segmentation fault occurred
  632. Image PC Routine Line Source
  633. seward.exe 000000000094C551 Unknown Unknown Unknown
  634. seward.exe 000000000094A68B Unknown Unknown Unknown
  635. seward.exe 00000000008F5064 Unknown Unknown Unknown
  636. seward.exe 00000000008F4E76 Unknown Unknown Unknown
  637. seward.exe 00000000008948B7 Unknown Unknown Unknown
  638. seward.exe 000000000089DC00 Unknown Unknown Unknown
  639. libpthread-2.17.s 00002AAAAC19A100 Unknown Unknown Unknown
  640. seward.exe 0000000000955F37 Unknown Unknown Unknown
  641. seward.exe 0000000000895D32 Unknown Unknown Unknown
  642. seward.exe 000000000079059F Unknown Unknown Unknown
  643. seward.exe 000000000078D85C Unknown Unknown Unknown
  644. seward.exe 000000000045D85D Unknown Unknown Unknown
  645. seward.exe 00000000004A173D Unknown Unknown Unknown
  646. seward.exe 000000000049B65B Unknown Unknown Unknown
  647. seward.exe 0000000000464999 Unknown Unknown Unknown
  648. seward.exe 000000000045D38E Unknown Unknown Unknown
  649. seward.exe 000000000040672F Unknown Unknown Unknown
  650. seward.exe 0000000000404ED0 Unknown Unknown Unknown
  651. seward.exe 0000000000404E6E Unknown Unknown Unknown
  652. libc-2.17.so 00002AAAAC6CAB15 __libc_start_main Unknown Unknown
  653. seward.exe 0000000000404D69 Unknown Unknown Unknown
  654. forrtl: severe (174): SIGSEGV, segmentation fault occurred
  655. Image PC Routine Line Source
  656. seward.exe 000000000094C551 Unknown Unknown Unknown
  657. seward.exe 000000000094A68B Unknown Unknown Unknown
  658. seward.exe 00000000008F5064 Unknown Unknown Unknown
  659. seward.exe 00000000008F4E76 Unknown Unknown Unknown
  660. seward.exe 00000000008948B7 Unknown Unknown Unknown
  661. seward.exe 000000000089DC00 Unknown Unknown Unknown
  662. libpthread-2.17.s 00002AAAAC19A100 Unknown Unknown Unknown
  663. seward.exe 0000000000955F37 Unknown Unknown Unknown
  664. seward.exe 0000000000895D32 Unknown Unknown Unknown
  665. seward.exe 000000000079059F Unknown Unknown Unknown
  666. seward.exe 000000000078D85C Unknown Unknown Unknown
  667. seward.exe 000000000045D85D Unknown Unknown Unknown
  668. seward.exe 00000000004A173D Unknown Unknown Unknown
  669. seward.exe 000000000049B65B Unknown Unknown Unknown
  670. seward.exe 0000000000464999 Unknown Unknown Unknown
  671. seward.exe 000000000045D38E Unknown Unknown Unknown
  672. seward.exe 000000000040672F Unknown Unknown Unknown
  673. seward.exe 0000000000404ED0 Unknown Unknown Unknown
  674. seward.exe 0000000000404E6E Unknown Unknown Unknown
  675. libc-2.17.so 00002AAAAC6CAB15 __libc_start_main Unknown Unknown
  676. seward.exe 0000000000404D69 Unknown Unknown Unknown
  677. --- Stop Module: seward at Mon Jul 10 09:21:28 2017 /rc= _CHO_RUN_ ---
  678. --- Module seward spent 44 seconds
  679. *** files: xmldump
  680. saved to directory /home/si93yaq/biaryl/mecn5
  681.  
  682. Timing: Wall=49 User=0.38 System=0.55
  683. Non-zero return code - check program input/output
  684. --- Stop Module: auto at Mon Jul 10 09:21:29 2017 /rc= _CHO_RUN_ ---
  685. --- Module auto spent 49 seconds
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