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安装Gassian 09计算出现如下错误，求各位高手参考参考，不胜感激！
系统的错误信息如下：
--------------------------------------------- System error information ---------------------------------------------------------------
Problem with file /home/kou/g09/l1.exe omode 33279 compare 7.
Error: segmentation violation
rax 0000000000000000, rbx 00007fffeada3310, rcx 000014d36859e3db
rdx 0000000000000000, rsp 00007fffead97508, rbp 00000000000003e8
rsi 000000000000000b, rdi 0000000000002011, r8 0000000000000000
r9 0000000000000000, r10 00000000004016c4, r11 0000000000000202
r12 00007fffeada3f58, r13 00007fffeada3310, r14 00007fffeada3f58
r15 00007fffead9f670
--- traceback not available
已放弃 (核心已转储)
-------------------------------------------- System error information ----------------------------------------------------------------
然后gaussian的输出文件如下：
-------------------------------------- Gaussian output error information --------------------------------------
Entering Gaussian System, Link 0=g09
Files in the Gaussian directory are world accessible.
This must be fixed.
-------------------------------------- Gaussian output error information --------------------------------------
初始的gaussian输入文件如下：
-------------------------------------- Gaussian input file --------------------------------------
%chk=DAP.chk
%mem=32GB
%NPROC=32
# opt freq b3lyp/6-31g(d) geom=connectivity
DAP
0 1
C -9.82270000 5.61370000 0.18860000
C -9.11580000 4.43460000 -0.17490000
C -7.75260000 4.46170000 -0.35540000
C -7.02100000 5.67930000 -0.17980000
C -7.73780000 6.87480000 0.19100000
C -9.15630000 6.80340000 0.36790000
N -7.09540000 8.06030000 0.37370000
C -5.75500000 8.06740000 0.19100000
C -5.03530000 6.86700000 -0.18390000
N -5.67290000 5.68760000 -0.36430000
C -3.61220000 6.93730000 -0.35020000
C -2.93060000 8.12380000 -0.16180000
C -3.65570000 9.33290000 0.16250000
C -5.02290000 9.29010000 0.35410000
N -2.93520000 10.52990000 0.33580000
N -1.53570000 8.19650000 -0.33810000
H -10.90070000 5.56540000 0.32430000
H -9.66710000 3.50680000 -0.31010000
H -7.21460000 3.55860000 -0.63480000
H -9.69970000 7.70350000 0.64640000
H -3.06340000 6.03620000 -0.61170000
H -5.55940000 10.19860000 0.61530000
H -2.11920000 10.63330000 -0.25710000
H -3.51400000 11.36260000 0.35530000
H -1.07200000 7.29470000 -0.35590000
H -1.06020000 8.87120000 0.25080000
-------------------------------------- Gaussian input file --------------------------------------
查到到类似出错http://bbs.keinsci.com/forum.php ... ntable&tid=3554
尝试在root下修改g09文件权限，但是不成功，想问问大家出错的原因是g09文件权限未修改成功，还是另有原因；如果是该原因，该如何成功修改g09文件权限
root@SYS-740GP-TNRT:/home/kou# chmod -R 750 g09
root@SYS-740GP-TNRT:/home/kou# ls -l
总用量 627792
drwxrwxrwx 1 root root 0 12月 18 2023 公共的
drwxrwxrwx 1 root root 0 12月 12 2023 模板
drwxrwxrwx 1 root root 0 12月 12 2023 视频
drwxrwxrwx 1 root root 0 12月 12 2023 图片
drwxrwxrwx 1 root root 0 12月 17 2023 文档
drwxrwxrwx 1 root root 4096 12月 25 11:09 下载
drwxrwxrwx 1 root root 0 12月 12 2023 音乐
drwxrwxrwx 1 root root 4096 12月 23 14:41 桌面
drwxrwxrwx 1 root root 4096 12月 12 2023 anaconda3
drwxrwxrwx 1 root root 28672 12月 23 16:45 g09
-rwxrwxrwx 1 root root 589744294 12月 23 15:51 G09_D01.tgz
drwxrwxrwx 1 root root 0 12月 23 17:06 GAUSSIAN
drwxrwxrwx 1 root root 0 12月 23 15:53 gv5.0.9-x86_64
-rwxrwxrwx 1 root root 53067594 12月 23 15:39 gv5.0.9-x86_64.tar.gz
drwxrwxrwx 1 root root 0 12月 24 2023 snap
drwxrwxrwx 1 root root 4096 9月 27 19:32 software
root@SYS-740GP-TNRT:/home/kou#
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发表于 Post on 2024-12-25 11:35:00
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楼主 Author
发表于 Post on 2024-12-25 11:41:37