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pfsz

木虫 (正式写手)

[交流] 【求助】gaussview 1101.exe 错误解决方案 已有2人参与

gaussview 计算出错。提示信息如下:Error termination via Lnk1e in /global/apps/gaussian/g03.e01/g03/l101.exe

网上给出的解决方法如下:
Solution:  Error due to syntax error(s) in coordinate section (check carefully). If error is "^M", it is caused by DOS end-of-line characters (e.g. if coordinates were written under Windows). Remove ^M from line ends using e.g. emacs. To process .inp files from command line, use sed -i  's/^M//' File.inp  (Important: command does not work if ^M is written as characters - generate ^M on command line using ctrl-V ctrl-M).

到底是啥意思啊?高手能解释一下吗?
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snoopyzhao

至尊木虫 (职业作家)

★ ★
lei0736(金币+2):谢谢 2010-05-18 22:27:01
pfsz(金币+4): 2010-05-19 13:37:49
就是把 dos 格式的输入文件改为 unix 格式的输入文件

找个 dos2unix 运行一下就好了,当然,sed, perl, vim, emacs 等等都可以

你这是 gaussian 计算出错吧……
2楼2010-05-18 19:58:43
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pfsz

木虫 (正式写手)

问题已经解决

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lei0736(金币+2):鼓励自己解决问题 2010-05-19 14:22:21
引用回帖:
Originally posted by snoopyzhao at 2010-05-18 19:58:43:
就是把 dos 格式的输入文件改为 unix 格式的输入文件

找个 dos2unix 运行一下就好了,当然,sed, perl, vim, emacs 等等都可以

你这是 gaussian 计算出错吧……

\\


End of file reading connectivity.
Error termination via Lnk1e in /export/local/g03/g03/l101.exe at Sat May 15 23:14:10 2010.
Job cpu time:  0 days  0 hours  0 minutes  1.0 seconds.
File lengths (MBytes):  RWF=      7 Int=      0 D2E=      0 Chk=      1 Scr=      1

解决方案: 删除了geom=connectivity.后从新投递,就正确了
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3楼2010-05-19 13:37:08
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