| 查看: 645 | 回复: 2 | ||
[求助]
error with G09
|
|
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 |
回复此楼» 猜你喜欢
如何从铁电相到顺电相。
已经有1人回复
-
各位大佬，求一份最新Wien2k版本作为学习用途
已经有0人回复
-
物理学I论文润色/翻译怎么收费?
已经有115人回复
-
南科大活性流体和软物质课题组诚招2027级博士、硕士研究生和博后
已经有42人回复
-
瑞典林雪平大学博士后招聘｜PEC Water Splitting 方向
已经有24人回复
-
PRB投稿，Acknowledgment sent to author状态十天了
已经有3人回复
-
PVA溶解
已经有2人回复
-
基金申请
已经有44人回复
-
CSC与新西兰维多利亚大学PhD奖学金项目
已经有0人回复
-
新西兰Robinson研究所 招聘CSC公派访问人员
已经有0人回复
-
帮我的英语口语老师找学生
已经有0人回复
» 本主题相关价值贴推荐，对您同样有帮助:
- td做激发态优化出错
已经有19人回复
- with editor两个月后被退稿了，理由是英语有语法错误
已经有17人回复
- 稿件刚with editor，发现有错误，能撤稿再投吗
已经有14人回复
- Error termination via Lnk1e in d:\g09\l103.exe
已经有9人回复
- Castep terminated with unknown error status郁闷中。。。
已经有7人回复
- 新手请教大家自旋密度污染，不收敛的错误
已经有7人回复
- 【求助】按照G09说明书计算荧光出错。出在第二步上。
已经有13人回复
- 【求助】G09荧光光谱例子 运行出错
已经有25人回复
- 【求助】新手关于gaussian运行求助！（急！急！急！悬赏求解！）
已经有25人回复
- 【求助】含时密度泛函计算金团簇的激发态输出出错
已经有8人回复
- 【求助】请大家帮我分析下程序
已经有4人回复
- 【求助】求个g09 linux 64位的
已经有19人回复
- 【求助】关于用G09算溶剂化能的问题
已经有17人回复
abbott
金虫 (著名写手)
不要用QQ问我东西
- 计算强帖: 1
- 应助: 16 (小学生)
- 金币: 1071.6
- 散金: 2787
- 红花: 10
- 帖子: 1015
- 在线: 105.2小时
- 虫号: 452267
- 注册: 2007-11-05
- 性别: GG
- 专业: 计算机硬件技术
2楼2011-05-17 11:44:43
3楼2011-05-17 14:47:08
