已解决——如何解决安装g09后输入g09没问题，实际运行log文件乱码报错，报错见下方...

NEW12138

如题：
安装G09后，输入g09显示Entering Gaussian System, Link 0=g09
实际运行g09 filename.gjf(g16跑过没问题)
gjf文件开头：
%mem=24gb
%nproc=12
%chk=/workfolder/DBA-ARS2-sp.chk
#p sp B3LYP/6-31G(d,p) em=GD3BJ scrf(solvent=water)
输出：Error: segmentation violation
   rax 0000000000000000, rbx ffffffffffffffff, rcx 0000074c7ee4275b
   rdx 000000000c7cbb30, rsp 00007ffedd18ee18, rbp 00007ffedd18f390
   rsi 000000000000000b, rdi 000000000001bfdb, r8  00007ffedd18ee08
   r9  0000000000000000, r10 0000074c7ee12f60, r11 0000000000000206
   r12 0000000000000000, r13 0000000000000000, r14 00007ffedd18f3d8
   r15 00000000000003e6
  /lib/x86_64-linux-gnu/libc.so.6(+0x42520) [0x74c7ee42520]
  /lib/x86_64-linux-gnu/libc.so.6(kill+0xb) [0x74c7ee4275b]
  /home/wb/Downloads/Gaussian_09/g09/l1.exe() [0x49c797]
  /home/wb/Downloads/Gaussian_09/g09/l1.exe() [0x4c8629]
  /home/wb/Downloads/Gaussian_09/g09/l1.exe() [0x4b2f9d]
  /home/wb/Downloads/Gaussian_09/g09/l1.exe() [0x4ae310]
  /home/wb/Downloads/Gaussian_09/g09/l1.exe() [0x4b1879]
  /home/wb/Downloads/Gaussian_09/g09/l1.exe() [0x4b14c5]
  /home/wb/Downloads/Gaussian_09/g09/l1.exe() [0x4b61d8]
  /home/wb/Downloads/Gaussian_09/g09/l1.exe() [0x41d7d9]
  /home/wb/Downloads/Gaussian_09/g09/l1.exe() [0x403745]
  /home/wb/Downloads/Gaussian_09/g09/l1.exe() [0x40365c]
  /home/wb/Downloads/Gaussian_09/g09/l1.exe() [0x4035dd]
  /lib/x86_64-linux-gnu/libc.so.6(+0x29d90) [0x74c7ee29d90]
  /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0x80) [0x74c7ee29e40]
  /home/wb/Downloads/Gaussian_09/g09/l1.exe() [0x4034d9]
Aborted (core dumped)
log文件显示乱码，无chk文件输出

电脑架构：24  13th Gen Intel(R) Core(TM) i7-13700K 3090
想请问各位老师，这是什么原因导致的

后续：换成G09-D01版本解决，之前是E01，可能是那个安装包有问题

牧生

http://sobereva.com/476


Gaussian09 D.01版本之前不支持DFT-D3校正，因此用老版本者应当把脚本里em=GD3BJ关键词取消
计算单点能不需要写sp。

NEW12138

牧生 发表于 2025-10-20 15:04
http://sobereva.com/476

之前没有注意到这里，谢谢！