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hhaifeng

Òø³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿Gaussian input file for linux ÒÑÓÐ3È˲ÎÓë

Would anyone give me one gaussian input file for linux, i just want to try if the Gaussian03 can run normally on my compute. I have tried to transfer the Gaussian input file created in Windows to input file for linux, but i falted .
[zzm@822 ~]$ dos2unix ch4.gjf
dos2unix: Skipping ch4.gjf, not a regular file.

[zzm@822 ~]$ dos2unix --force 10.gjf
dos2unix: converting file 10.gjf to UNIX format ...
dos2unix: problems converting file 10.gjf

The system of my computer is fedora linux.
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Explosive
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ykwang

½ð³æ (ÕýʽдÊÖ)

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Download the file and try it in your Linux system. Don't edit it please!
http://www.namipan.com/d/Bipyrid ... bebcb4af49c20030000
Nothing_Is_Impossible!
2Â¥2010-11-23 17:44:44
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

hhaifeng

Òø³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by ykwang at 2010-11-23 17:44:44:
Download the file and try it in your Linux system. Don't edit it please!
http://www.namipan.com/d/Bipyrid ... bebcb4af49c20030000

Thank you!

There is problem with the Gaussian in my compute

[zzm@822 ~]$ g03 Bipyridine.gjf
Unable to open input file "Bipyridine.gjf".
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source            
libc.so.6          0000003B24434367  Unknown               Unknown  Unknown
g03                0000000000407099  Unknown               Unknown  Unknown
g03                0000000000405055  Unknown               Unknown  Unknown
g03                0000000000404C02  Unknown               Unknown  Unknown
libc.so.6          0000003B2441EE7D  Unknown               Unknown  Unknown
g03                0000000000404B29  Unknown               Unknown  Unknown
Explosive
3Â¥2010-11-23 18:05:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

abbott

½ð³æ (ÖøÃûдÊÖ)

²»ÒªÓÃQQÎÊÎÒ¶«Î÷

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
chmod u+rw Bipyridine.gjf
Chemistry[]==[]Chem[]is[]try!!!
4Â¥2010-11-23 18:26:03
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

hhaifeng

Òø³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by abbott at 2010-11-23 18:26:03:
chmod u+rw Bipyridine.gjf

[zzm@822 ~]$ chmod u+rw Bipyridine.gjf
chmod: cannot access `Bipyridine.gjf': No such file or directory
Explosive
5Â¥2010-11-23 18:52:40
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
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