24小时热门版块排行榜

返回列表

当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖

sjjnew101

铁虫 (小有名气)

应助: 2 (幼儿园)
金币: 525
帖子: 174
在线: 57.5小时
虫号: 579260

[交流] 【求助】这是什么错误？

我交作业显示这样的错误：Error: segmentation violation
rax 0000000000000000, rbx ffffffffffffffff, rcx ffffffffffffffff
rdx 0000000000004d64, rsp 0000007fbfffcc48, rbp 0000007fbfffd220
rsi 000000000000000b, rdi 0000000000004d64, r8  0000002a9557ff40
r9  0000000000000000, r10 0000007fbfffcb01, r11 0000000000000206
r12 0000000000000000, r13 0000000000000000, r14 0000007fbfffd268
r15 000000000000001e
  --- traceback not available
请问这是怎么回事？
我的输入文件是这样的：%chk=aaa.chk
%mem=1024mb
%nproc=2
#p B3LYP/6-31G* opt test

Title Card Required

0 1
N                0.00000000 0.00000000 0.00000000
C                2.50193755 0.00000000 0.00000000
C                2.29778583 2.78260112 0.00000000
C                3.65591580 0.78404221 -0.00468148
H                2.58248983 -1.09664960 -0.00008924
C                3.55404497 2.17514225 -0.00482045
H                2.21748808 3.87934569 -0.00036601
C                -1.14781514 3.35716074 0.29099992
C                -2.53775521 3.26801622 0.36408612
H                -0.65917934 4.34231361 0.28867720
C                -2.38723680 0.85748948 0.29594262
C                -3.15763841 2.01813156 0.36622397
H                -2.87562821 -0.12770057 0.29779635
H                -4.25352432 1.94807849 0.42340318
C                1.15515601 1.99054544 -0.01251550
C                1.31516255 0.65441172 -0.05470613
C                -0.36266304 2.23550711 0.07591022
C                -1.04084595 1.03476697 0.08244409
C                -2.71030113 5.82568352 0.47383922
N                -3.34969622 4.49115090 0.43887481
C                8.30713727 2.39111292 -0.24631145
C                6.05256932 0.75354800 -0.10541658
C                8.44499901 1.00513725 -0.33164672
C                7.31779195 0.18662769 -0.26105380
C                7.14384558 2.93589833 -0.12908295
C                6.02535505 2.18649732 -0.13261954
C                7.47471160 5.59191570 0.13835703
C                6.74657196 6.77569339 0.25542436
H                8.56974413 5.62677705 0.04356797
C                4.69635433 5.50308065 0.37791098
C                5.35724103 6.73139970 0.37487759
C                5.30037444 4.45655896 0.05574075
C                6.67672428 4.39831245 -0.00766363
C                -5.65843911 3.66267793 0.64547115
C                -6.44274713 6.33843129 0.74035823
C                -7.01204552 3.99030730 0.72804590
C                -7.40416850 5.32803758 0.77564212
C                -5.17336301 5.98364565 0.63439695
C                -4.80275966 4.67621276 0.56240107
C                -3.92104071 8.17609874 0.14677802
C                -2.73649788 8.86520596 -0.11487247
H                -4.88193935 8.71066985 0.13455866
C                -1.46025323 8.18852097 -0.10352996
C                -1.43800142 6.57720218 0.21578273
H                -0.50721956 8.69867668 -0.30501691
H                -0.56494955 5.90987396 0.25968840
C                -4.00982150 6.62707404 0.46905210
H                -6.72406941 7.36921423 0.79731701
H                -5.32566500 2.64574629 0.64885237
H                -7.74938816 3.21538371 0.75486458
H                4.79870340 7.63967502 0.46416165
H                3.66474699 5.45589469 0.65801773
H                5.16947594 0.16347107 0.02441143
H                7.42345649 -0.87614308 -0.32627095
H                9.17884430 3.01077851 -0.27858252
C                7.47573110 8.13212537 0.25103838
C                9.84154507 0.37932554 -0.50374781
C                -2.77510003 10.37380486 -0.42185654
C                -8.89830030 5.68969884 0.86713684
C                7.74698534 8.57380337 1.70119067
C                6.59742502 9.18480007 -0.45042750
C                8.81194210 7.99420463 -0.50203402
C                10.83288938 1.06473310 0.45492468
C                10.31519452 0.57255674 -1.95630346
C                9.77309739 -1.12512493 -0.18196575
C                -1.65390112 11.08523218 0.35813330
C                -2.57046664 10.59576593 -1.93197523
C                -4.13953449 10.94901536 0.00128822
C                -9.64878197 5.07804755 -0.33046909
C                -9.48222556 5.13147511 2.17824993
C                -9.05802517 7.22123514 0.84512439
H                11.28746735 0.14178311 -2.07470793
H                9.62886106 0.09240888 -2.62211456
H                10.35834923 1.61773626 -2.18133110
H                10.45878633 -1.35259625 0.60732981
H                8.77986534 -1.37957866 0.12404633
H                10.03308269 -1.68849989 -1.05369753
H                11.15052990 1.99568500 0.03381536
H                11.68266654 0.43136243 0.60196337
H                10.35426288 1.24337659 1.39508593
H                9.54668994 8.62192102 -0.04266734
H                9.13897648 6.97609249 -0.46466837
H                8.67856623 8.28877233 -1.52200497
H                7.22244615 9.91990166 -0.91289288
H                5.99599741 8.70797723 -1.19596409
H                5.96357986 9.65792518 0.27019233
H                7.83147870 9.63977452 1.73948422
H                6.93918583 8.25732082 2.32744840
H                8.65876034 8.13119496 2.04421274
H                -2.00775736 12.03303585 0.70649229
H                -1.36383180 10.48362578 1.19409354
H                -0.81109937 11.23333833 -0.28424492
H                -4.29014880 11.89596977 -0.47357247
H                -4.91717419 10.27516960 -0.29215407
H                -4.15929662 11.07556597 1.06359439
H                -1.85989683 11.38118859 -2.08396799
H                -2.20663539 9.69422406 -2.37890821
H                -3.50268735 10.86610484 -2.38228781
H                -9.55701598 5.72558746 -1.17732862
H                -9.22799018 4.12258028 -0.56481195
H             -10.68277831 4.96099639 -0.08136952
H             -10.53354408 5.32758552 2.21245652
H                -9.31475572 4.07557649 2.22220409
H                -8.21805588 7.67442594 1.32882852
H                -9.95570644 7.49364998 1.35976844
H                -9.11129087 7.55974886 -0.16851816
H                -9.00409120 5.60340656 3.01105737
H                4.61917433 0.31818722 -0.00816557
C                0.85096478 -2.39335855 0.02281343
C                0.59682215 -3.76182937 -0.07676408
C                -1.49468248 -1.93245733 -0.32869241
C                -0.70287668 -4.21506311 -0.30237242
C                -1.74866549 -3.30031367 -0.42874140
C                -0.19088043 -1.47152914 -0.10160792
H                -2.29820760 -1.23257028 -0.42567439
H                -2.74556798 -3.64805610 -0.60240954
H                1.84906271 -2.04850043 0.19536314
H                1.39890182 -4.46341067 0.01994103
N                -0.87178183 -5.66875147 -0.45971219
C                1.62659771 -8.33973495 -0.50424216
C                1.08548624 -7.05464872 -0.55872422
C                0.78405611 -9.44802518 -0.41848988
C                -0.59956152 -9.27181615 -0.38746549
C                -0.30433379 -6.87776684 -0.52655203
C                -1.14294513 -7.98118890 -0.44166434
C                -3.85369254 -7.69580803 -0.80287820
C                -3.36089078 -4.95151649 -0.70012958
C                -4.90715400 -6.79229761 -0.94229129
C                -4.66067030 -5.42005819 -0.89055961
C                -2.30251994 -5.85926564 -0.55954293
C                -2.54776332 -7.22519543 -0.61053835
H                1.73166862 -6.20438520 -0.62505885
H                2.68775200 -8.47492142 -0.52824607
H                -1.24584080  -10.12209561 -0.32228930
H                -3.17182775 -3.89906527 -0.66137925
H                -5.46890760 -4.72700383 -0.99699333
H                -4.04266815 -8.74823165 -0.84278751
C                1.38114782  -10.86627374 -0.35805388
C                -6.34229674 -7.30943954 -1.15331153
C                1.49099305  -11.31482520 1.11107362
C                2.78124075  -10.86155630 -0.99939430
C                0.46830138  -11.84068827 -1.12540497
C                -6.54933369 -8.59747206 -0.33495468
C                -7.34719004 -6.23896372 -0.68869234
C                -6.56550924 -7.60902477 -2.64730780
H                2.19566286  -10.69267085 1.62221393
H                1.81975637  -12.33233323 1.14970121
H                0.53388095  -11.23112741 1.58206312
H                2.93380850 -9.93701306 -1.51596266
H                2.85927701  -11.67388303 -1.69144605
H                3.52342860  -10.97049512 -0.23638084
H                -0.40221795  -11.32030504 -1.46642902
H                0.17500883  -12.63998089 -0.47732257
H                0.99786279  -12.23880716 -1.96562283
H                -6.60279543 -6.68981220 -3.19371240
H                -7.48874622 -8.13544678 -2.77145830
H                -5.76007527 -8.20996871 -3.01478909
H                -5.66294588 -8.81044136 0.22527807
H                -6.75666896 -9.41160140 -0.99760504
H                -7.37223657 -8.46530511 0.33606152
H                -6.82805775 -5.46965759 -0.15617968
H                -8.07541945 -6.68829593 -0.04628867
H                -7.83629798 -5.81516549 -1.54078886
N                4.84823228 3.05995313 -0.02145780



高手请指教，好几次了，都不知道原因。

回复此楼

» 本帖已获得的红花（最新10朵）

L知行合一

» 猜你喜欢

香港理工大学计算材料与物理课题组招聘博后已经有15人回复
西班牙Institut Català de Nanociència i Nanotecnologia, CSIC-BIST招收公派博士生已经有0人回复
物理化学论文润色/翻译怎么收费? 已经有94人回复
英国利物浦大学屠昕和雍雪课题组招收CSC博士生已经有27人回复
北京交通大学王熙教授团队招收2026年入学催化方向博士研究生（还有1个名额）已经有0人回复
华北电力大学（北京）（第一性原理计算）博士招生——学博，专博各1人已经有45人回复
英国贝尔法斯特女王大学招收 2026 年 CSC/BBSRC phd 机器学习催化剂设计方向已经有0人回复
法国里昂大学招生CSC 资助博士生已经有0人回复
法国里昂大学接收CSC 资助访问学者已经有0人回复
北京工业大学材料科学与工程学院《院士团队》招收工程专业博士研究生（计算优先）已经有1人回复

» 本主题相关价值贴推荐，对您同样有帮助:

这是什么错误？已经有3人回复
出现这样的错误是什么原因已经有7人回复
fluent 迭代，这个是什么错误啊？求高手解答已经有3人回复
网页打开错误，是什么情况？已经有20人回复
【求助】Error termination request processed by link 9999是什么错误？程序在下面已经有13人回复
【其他】VASP运行出现这样的错误提示，这是什么原因呢已经有7人回复
【求助】用castep计算合金phonons老出错的原因是什么？已经有10人回复
【求助】2070错误是什么错误已经有15人回复
【求助】电脑老是蓝屏重启死机，有没有知道这是什么问题已经有13人回复
【请教】在checkcif中出现a和b错误，应该如何修改？已经有5人回复

» 抢金币啦！回帖就可以得到:

查看全部散金贴

1楼 2010-12-07 08:33:07

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

heyo_123

至尊木虫 (职业作家)

引用回帖:

Originally posted by sjjnew101 at 2010-12-07 08:33:07:
我交作业显示这样的错误：Error: segmentation violation
rax 0000000000000000, rbx ffffffffffffffff, rcx ffffffffffffffff
rdx 0000000000004d64, rsp 0000007fbfffcc48, rbp 0000007fbfffd220
r ...

1.初始结构太差，建议改改，
2.分子这么大，内存设小了。