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lu589

铁虫 (正式写手)

应助: 0 (幼儿园)
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在线: 22.7小时
虫号: 10484697
注册: 2018-09-28
专业: 理论和计算化学

[求助] 高斯计算出现segmentation violation错误已有2人参与

在服务器上进行高斯计算出现segmentation violation错误，但是windows下高斯可以运行，只是体系太大，计算时间太长。高斯输入文件如下，请各位大神帮忙，指点一下。
%mem=1000MW
%chk=F:\program\opt-int2.chk
# opt=(maxcyc=100,cartesian) freq=noraman genecp nosymm m06 scf=maxcyc=200

opt-int2

0 1
C             -12.19961208 -3.96194397 1.49262363
C             -10.82785156 -3.90850872 1.49203088
C             -10.15414433 -2.65623118 1.49798591
C             -10.91910474 -1.46125300 1.50492619
C             -12.33830007 -1.54593169 1.50554368
C             -12.96266928 -2.76911961 1.49941574
H                -8.15056284 -3.50383728 1.49216132
C                -8.73464492 -2.57136996 1.49726016
C             -10.24457068 -0.20933913 1.51099385
H             -12.92227514 -0.61351276 1.51074421
H             -14.06044652 -2.83826935 1.49985767
C                -8.87275303 -0.15583221 1.51012843
C                -8.10972609 -1.34890979 1.50311004
H             -10.84536168 0.71250145 1.51632909
H                -8.34931876 0.81159475 1.51454901
H                -7.01196170 -1.27966207 1.50258862
O             -10.04663759 -5.10623876 1.48514002
Au             -8.31643323 -4.76823676 0.54060440
Cl             -6.30074515 -4.37446442 -0.55977958
C             -12.93247705 -5.31636858 1.48607350
C             -14.43534086 -5.08804545 1.73278978
C             -14.92674871 -5.02733352 3.03713016
C             -15.30524446 -4.94183148 0.65230965
C             -16.28787120 -4.82112491 3.26083826
H             -14.24079238 -5.14341137 3.88873549
C             -16.66665841 -4.73456944 0.87592630
H             -14.91808005 -4.98947740 -0.37577722
C             -17.15809290 -4.67433418 2.17992050
H             -16.67537409 -4.77388611 4.28889785
H             -17.35223906 -4.61890989 0.02382522
H             -18.23124065 -4.51169660 2.35655366
C             -12.26563841 -6.68706851 1.26673833
O             -12.94979875 -7.74146321 1.32795114
H             -13.02057758 -3.99606737 0.80723962
O             -10.86416596 -6.76194250 0.99256893
C             -10.48507143 -8.12917430 0.81406249
H             -11.06293172 -8.74787288 1.46842442
H             -10.66301661 -8.41910249 -0.20042120
H                -9.44560789 -8.24358066 1.04061654
H             -12.75878408 -5.43752647 2.53490691

O C H 0
6-31G(d)
****
Au Cl 0
lanl2dz
****

Au Cl 0
lanl2dz

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