| 查看: 647 | 回复: 2 | ||
[求助]
error with G09
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Error: segmentation violation rax 0000000000000000, rbx ffffffffffffffff, rcx ffffffffffffffff rdx 0000000000004738, rsp 00007fff16aa6848, rbp 00007fff16aa6e20 rsi 000000000000000b, rdi 0000000000004738, r8 00002b4be995f680 r9 0000000000000000, r10 0000000000000000, r11 0000000000000206 r12 0000000000000000, r13 0000000000000000, r14 00007fff16aa6e68 r15 0000000000000000 --- traceback not available 用g09交上去出现这个问题，请问是怎么回事啊？ 下边是我的input %chk=Mn_bei8_HF_car.chk %mem=8192MB %nproc=8 # hf/lanl2dz opt test dsc25_0m 0 1 Mn 0.00000000 0.00000000 0.00000000 Mn 0.00000000 0.00000000 3.37573703 Mn 3.79704375 0.00000000 3.39323552 Mn 3.79384122 -0.00005764 0.01171484 Mn 1.83342955 2.19887157 1.66401295 O 0.67145762 -1.40665625 4.88635372 O -1.73671930 -1.15068867 2.81455750 O -1.67448865 -1.32079228 0.41154538 H -1.55821817 -1.51801056 1.23047754 O 0.71025038 -1.36576819 -1.55153945 O 3.17278831 -1.35380952 -1.56016143 H 2.32318329 -1.33847366 -1.59920545 O 5.51871964 -1.24325936 0.46183547 H 5.57165336 -1.32436280 1.30665543 O 5.53463226 -1.16523286 2.89628986 O 3.14014574 -1.40856910 4.92032489 H 2.29690231 -1.52760098 4.92490761 O 3.03500296 -1.21771850 1.69923330 O 0.79318486 -1.22566835 1.68356029 O -0.28809128 1.37624610 1.69203545 O 1.91057164 0.98010059 3.47724985 H 1.90719076 1.59236880 4.26795958 O 1.90039352 0.96418160 -0.10210241 H 1.90312439 1.56479985 -0.90378178 O 1.91875690 3.73457664 3.27254631 O 4.71180809 1.26571591 4.94289804 O -1.27540251 1.05396837 -1.37678559 O 4.97696962 1.18430140 -1.33233007 O -0.91248275 1.20066333 4.94308516 C 0.08013715 -1.62046242 6.09725008 C 0.62790946 -1.05747971 7.26109775 C 0.08819262 -1.37745914 8.49699000 H 0.48820150 -1.01425531 9.27925459 C -1.00758731 -2.20791532 8.63608497 C -1.57308476 -2.68987904 7.45474410 H -2.34437861 -3.24327331 7.51651301 C -1.07365291 -2.40358331 6.19545574 C -1.73879609 -2.97572618 4.96731669 H -1.97040844 -3.92042449 5.15093207 H -1.08267157 -2.97023113 4.22810256 C -2.93532923 -1.42415859 3.37127438 C -2.99511782 -2.25905805 4.49337360 C -4.21814067 -2.43746199 5.12458752 H -4.25214358 -2.97044025 5.90976538 C -5.39668766 -1.87256793 4.65890593 C -5.31584949 -1.12837859 3.47806449 H -6.11309716 -0.76355505 3.11065634 C -4.11542407 -0.90070267 2.82226036 C -4.08335078 -0.16323302 1.48628271 H -4.88013360 0.42011730 1.42988751 H -3.28258293 0.42010470 1.46787971 C -2.84948332 -1.61318022 -0.21097277 C -4.05350931 -1.06343664 0.26869541 C -5.23457818 -1.36785473 -0.40431067 H -6.05020365 -0.99093710 -0.09404005 C -5.26183116 -2.20928263 -1.52421912 C -4.06865316 -2.74934217 -1.93118689 H -4.07186326 -3.33942491 -2.67520643 C -2.85106088 -2.47387199 -1.30496434 C -1.57470448 -3.10228238 -1.79807328 H -1.76544083 -4.03679613 -2.06502100 H -0.92627355 -3.12989743 -1.05055055 C 0.15820379 -1.52168996 -2.79838212 C -0.93287173 -2.37950190 -2.97228208 C -1.43303506 -2.56065372 -4.25609691 H -2.17123122 -3.14503851 -4.37629138 C -0.90446263 -1.92578902 -5.37363777 C 0.15978443 -1.05349689 -5.15198336 H 0.52879661 -0.58072176 -5.89116389 C 0.69498403 -0.85312658 -3.88673512 C 1.92199309 0.04071607 -3.73591202 H 1.89726732 0.75257689 -4.42376352 H 1.90817296 0.47411205 -2.84565569 C 3.74881545 -1.44315671 -2.79140312 C 3.19760554 -0.76050688 -3.88578492 C 3.78122104 -0.90060597 -5.14290250 H 3.39353147 -0.44470307 -5.88206155 C 4.91471951 -1.68753426 -5.35570626 C 5.44298834 -2.33234236 -4.24412794 H 6.20937119 -2.88059952 -4.36108830 C 4.90352169 -2.21493220 -2.97335120 C 5.55746501 -2.93512604 -1.80568044 H 4.89702072 -3.02031659 -1.07380296 H 5.80453801 -3.84884190 -2.09421617 C 6.72773001 -1.42067719 -0.13522976 C 6.79310358 -2.23811540 -1.26982830 C 8.02389927 -2.41441675 -1.88202805 H 8.07676354 -2.98062964 -2.64507640 C 9.18200521 -1.79861853 -1.43162535 C 9.07696953 -1.02532993 -0.29964560 H 9.86015264 -0.61127007 0.04159396 C 7.87631871 -0.82371876 0.36829784 C 7.82493801 -0.00309738 1.64233353 H 6.98482181 0.51736988 1.65118461 H 8.57563489 0.63974048 1.63729661 C 6.73809468 -1.41251737 3.45778341 C 7.90102745 -0.83095092 2.91606916 C 9.12268488 -1.05138808 3.55156502 H 9.90712408 -0.65508238 3.18921808 C 9.22696001 -1.82910817 4.69213791 C 8.06434681 -2.42623607 5.16977199 H 8.12295432 -2.98311518 5.93763197 C 6.82030856 -2.24215431 4.57133424 C 5.57805408 -2.95733851 5.09377196 H 4.92300871 -3.02894078 4.35390903 H 5.83072710 -3.87661170 5.35800358 C 3.72859525 -1.55124058 6.14358001 C 4.90096842 -2.29064365 6.27316515 C 5.44762884 -2.46369949 7.55152265 H 6.24747346 -2.97354203 7.63689750 C 4.88496464 -1.93284091 8.69179524 C 3.72475645 -1.17524339 8.52308639 H 3.31770377 -0.78540011 9.28761737 C 3.13940157 -0.96839562 7.27209792 C 1.85698621 -0.17927140 7.17629048 H 1.84362333 0.31453523 6.31924750 H 1.82956315 0.48553823 7.91022237 C -1.57207758 -2.61116843 10.00263154 C -6.75446947 -2.08442734 5.34140733 C -6.59528391 -2.49595422 -2.23943714 C -1.46845956 -2.19145750 -6.77043853 C 5.51122186 -1.88918673 -6.75975090 C 10.52031881 -2.02367410 -2.15717409 C 10.57403143 -2.07767552 5.39175586 C 5.44698716 -2.14132404 10.10332746 C -1.63485025 -3.95927938 10.20829994 H -0.79024674 -4.26938259 10.59844595 H -1.78765593 -4.41349398 9.35520438 H -2.37144041 -4.16134322 10.82176332 C -0.75368914 -1.91030897 11.21089528 H -0.71836922 -0.94157769 11.06111115 H 0.15852164 -2.26852982 11.23862213 H -1.20322887 -2.09504109 12.06074325 C -3.00437246 -1.88436331 10.17028213 H -3.52585983 -2.31127675 11.00136326 H -3.58045518 -2.02159680 9.27910557 C -6.59919724 -2.69595886 6.73018416 H -6.05956651 -2.10057485 7.29180812 H -6.15234862 -3.56603925 6.65601302 H -7.48241727 -2.81625242 7.13616462 C -7.46943518 -0.75568636 5.51913927 H -7.60342615 -0.33703316 4.64236597 H -6.92630691 -0.16635224 6.08249704 H -8.33934960 -0.90705696 5.94639691 C -7.60792051 -3.00834475 4.47950093 H -7.71558368 -2.61666700 3.59003821 H -8.48723995 -3.12347068 4.89564460 H -7.16734479 -3.88180741 4.40285973 C -7.58047093 -3.14616564 -1.25223337 H -8.42972408 -3.32970018 -1.71059388 H -7.74088440 -2.53635080 -0.50338253 H -7.20111066 -3.98504631 -0.91902503 C -7.17719990 -1.20636466 -2.74577630 H -6.55137441 -0.79232304 -3.37824678 H -7.32601895 -0.59893919 -1.99127742 H -8.02828449 -1.38627154 -3.19525898 C -6.42417816 -3.47434499 -3.37944994 H -5.80333183 -3.10182347 -4.04086086 H -7.29207695 -3.63983965 -3.80120140 H -6.06333743 -4.31834046 -3.03420518 C -2.97984076 -1.89161564 -6.76243227 H -3.35081264 -2.06060703 -7.65314861 H -3.12403566 -0.95238218 -6.52220717 H -3.42321669 -2.46869318 -6.10970184 C -1.28426011 -3.60569890 -7.12928244 H -0.32967002 -3.81728902 -7.14672998 H -1.67311002 -3.77227916 -8.01247997 H -1.73270350 -4.17176464 -6.46527986 C -0.91060314 -1.25963595 -7.79705018 H 0.05557717 -1.39783609 -7.87248337 H -1.09260910 -0.33463974 -7.52981410 H -1.33650228 -1.43732284 -8.66295212 C 4.96279029 -0.92299882 -7.77482963 H 3.99203192 -1.02356231 -7.83103801 H 5.36351583 -1.11001295 -8.65022465 H 5.18274823 -0.00595335 -7.50486242 C 7.03654932 -1.68595839 -6.72981710 H 7.23939553 -0.76500959 -6.46361985 H 7.40917057 -1.85919962 -7.61922735 H 7.43645227 -2.30753795 -6.08220333 C 5.27152619 -3.33366794 -7.17878518 H 4.30745150 -3.50630342 -7.21965387 H 5.68390680 -3.93636897 -6.52825772 H 5.66569057 -3.48554596 -8.06368682 C 10.40224380 -1.57827917 -3.62970095 H 10.10375508 -0.64527723 -3.66556851 H 9.75165346 -2.14852851 -4.09032912 H 11.27660649 -1.65882317 -4.06663400 C 11.66965970 -1.06424999 -1.51328156 H 11.90233571 -1.40068079 -0.52455703 H 12.54980579 -1.10532892 -2.12036918 C 10.96441565 -3.41438901 -2.02633757 H 11.94552565 -3.51601858 -2.44105988 H 10.28732643 -4.05584814 -2.55072328 C 11.70598502 -1.26193268 4.78118266 H 11.48719285 -0.30807294 4.83672420 H 11.82327340 -1.51636745 3.84197702 H 12.53620641 -1.43720224 5.27174954 C 10.93705150 -3.55172050 5.28699046 H 11.00596664 -3.80454241 4.34343876 H 10.24205148 -4.09082578 5.71936920 H 11.79553183 -3.70866987 5.73298400 C 10.46877115 -1.70470170 6.86940593 H 10.23865906 -0.75524222 6.95070047 H 11.33030387 -1.87034034 7.30882150 H 9.77543048 -2.24780041 7.29571514 C 6.78342950 -2.88951782 10.07848900 H 6.66462991 -3.75663819 9.63913524 H 7.09698049 -3.02660144 10.99790064 H 7.44553624 -2.36043100 9.58282470 C 5.64089184 -0.77363117 10.79279239 H 6.28381823 -0.23817001 10.28040648 H 5.98230225 -0.91166841 11.70126356 H 4.78108083 -0.30396578 10.83561367 C 4.44000265 -2.95661227 10.93015665 H 4.30319174 -3.83076730 10.50632726 H 3.58729561 -2.47750573 10.96916634 H 4.78878453 -3.08349918 11.83608788 N -2.22598851 1.36186973 6.77532705 C -1.98495484 1.03054439 5.52998421 H -2.69255485 0.62728625 5.03949777 C -3.52745750 1.15029739 7.36931837 H -4.13249144 0.76368709 6.70261227 H -3.88796643 2.00726480 7.67911633 H -3.44542391 0.53730257 8.12998765 C -1.19908220 1.94041466 7.62866789 H -0.36918505 2.04212223 7.11922477 H -1.03996846 1.35155018 8.39487132 H -1.49671201 2.81867671 7.94780257 N -2.05424650 1.39884321 -3.46217802 C -1.14309183 1.49120029 -2.50791273 H -0.32529707 1.92785302 -2.71910527 C -3.29751686 0.69994908 -3.25749973 H -3.34549886 0.38722964 -2.33085665 H -3.34518040 -0.06777124 -3.86476243 H -4.04595284 1.30592516 -3.43878283 C -1.80075613 1.94175862 -4.79414469 H -0.93121183 2.38969055 -4.80418349 H -2.50392097 2.58692999 -5.02300535 H -1.80053957 1.21417800 -5.45095252 N 5.49627366 1.76361162 -3.42774264 C 4.75161377 1.73664430 -2.31326730 H 3.94099237 2.23171868 -2.33956616 C 6.68503750 1.02211904 -3.55611475 H 6.89366195 0.59020081 -2.70135380 H 7.41812711 1.62230171 -3.80902052 H 6.56882272 0.33758950 -4.24725325 C 4.98510780 2.48149499 -4.56218454 H 4.15416228 2.93926720 -4.31096106 H 4.80569235 1.85467328 -5.29281270 H 5.64493360 3.14331327 -4.85421149 N 6.09712872 1.31616770 6.74370727 C 5.76967044 0.97067251 5.51351935 H 6.39880919 0.45195604 5.02609942 C 5.19678569 2.05087458 7.56596519 H 4.41065878 2.30827236 7.04130254 H 5.64335857 2.85633264 7.90011170 H 4.91754085 1.49444499 8.32093486 C 7.34208329 0.83725320 7.31522745 H 7.85288700 0.35410012 6.63290458 H 7.14595248 0.23404417 8.06321550 H 7.86760978 1.59855588 7.63793194 N 3.19056388 5.47756826 4.00286482 C 2.51060916 4.81607177 3.08706975 H 2.46710572 5.19380859 2.21637377 C 3.85597832 6.72286920 3.68161793 H 3.72132360 6.93020312 2.73324700 H 4.81491732 6.63943303 3.86462315 H 3.47983093 7.44319345 4.22845498 C 3.27129129 5.00514114 5.34885106 H 2.77767106 4.16221660 5.42861534 H 2.88029516 5.67199421 5.95126480 H 4.20981364 4.85969922 5.58757187 N 1.92871194 -3.17270281 1.62947799 C 1.91668639 -1.83069526 1.67548951 C 0.69475673 -3.93896638 1.61973946 H -0.07099718 -3.32817177 1.63513422 H 0.66433830 -4.51818788 2.41198655 H 0.65985427 -4.49043267 0.81153197 C 3.17162842 -3.92221528 1.61429013 H 3.92681957 -3.29976946 1.61873034 H 3.20826522 -4.47660210 0.80730532 H 3.21716497 -4.49595205 2.40575667 C -1.18853647 2.41402512 1.73736178 H -2.10114017 2.05490038 1.74797472 H -1.07216566 2.98230718 0.94866527 H -1.03813012 2.94449313 2.54784385 O 1.76287398 3.22237973 -1.72090596 O 2.24978760 3.87456579 0.34332153 C 2.28174327 4.01013026 -0.90545352 C 3.20424688 5.32458841 -1.38191109 H 3.20660540 5.38634237 -2.36010731 H 4.12646514 5.21196959 -1.06096650 H 2.82688347 6.14532019 -1.00508862 C 4.81761377 2.40696638 1.65500132 H 5.72803629 2.04152653 1.63249214 H 4.71523907 2.97981859 2.44391852 H 4.65895830 2.93514484 0.84554831 O 3.97870069 1.45329570 1.71182925 H -2.85582665 -0.83864256 10.34146118 H 11.31142983 -0.05683666 -1.47217503 H 10.98458593 -3.68652335 -0.99171877 |
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abbott
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2楼2011-05-17 11:44:43
3楼2011-05-17 14:47:08
