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半步沧澜2K

金虫 (小有名气)

[求助] linux下运行Gaussian09进程被killed 已有1人参与

好不容易安装好了Gaussian09,但是一运行进程就被killed,输入文件都能正常读,还能出chk和log文件,但在终端上就是现实killed,不知道是什么原因,是gaussian程序问题么
linux下运行Gaussian09进程被killed

Entering Gaussian System, Link 0=g09
Input=H2O_test.gjf
Output=H2O_test.log
Initial command:
/root/g09/l1.exe /root/g09/scratch/Gau-6896.inp -scrdir=/root/g09/scratch/
Entering Link 1 = /root/g09/l1.exe PID=      6898.
  
Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2011,
            Gaussian, Inc.  All Rights Reserved.
  
This is part of the Gaussian(R) 09 program.  It is based on
the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
University), and the Gaussian 82(TM) system (copyright 1983,
Carnegie Mellon University). Gaussian is a federally registered
trademark of Gaussian, Inc.
  
This software contains proprietary and confidential information,
including trade secrets, belonging to Gaussian, Inc.
  
This software is provided under written license and may be
used, copied, transmitted, or stored only in accord with that
written license.
  
The following legend is applicable only to US Government
contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
Use, reproduction and disclosure by the US Government is
subject to restrictions as set forth in subparagraphs (a)
and (c) of the Commercial Computer Software - Restricted
Rights clause in FAR 52.227-19.
  
Gaussian, Inc.
340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
---------------------------------------------------------------
Warning -- This program may not be used in any manner that
competes with the business of Gaussian, Inc. or will provide
assistance to any competitor of Gaussian, Inc.  The licensee
of this program is prohibited from giving any competitor of
Gaussian, Inc. access to this program.  By using this program,
the user acknowledges that Gaussian, Inc. is engaged in the
business of creating and licensing software in the field of
computational chemistry and represents and warrants to the
licensee that it is not a competitor of Gaussian, Inc. and that
it will not use this program in any manner prohibited above.
---------------------------------------------------------------
  

Cite this work as:
Gaussian 09, Revision C.01,
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria,
M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci,
G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian,
A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada,
M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima,
Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr.,
J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers,
K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand,
K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi,
M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross,
V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann,
O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski,
R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth,
P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels,
O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski,
and D. J. Fox, Gaussian, Inc., Wallingford CT, 2010.

******************************************
Gaussian 09:  EM64L-G09RevC.01 23-Sep-2011
                 2-Jul-2016
******************************************
%chk=H2O_test.chk
-----------------------------------
# opt b3lyp/3-21g geom=connectivity
-----------------------------------
1/14=-1,18=20,19=15,26=3,38=1,57=2/1,3;
2/9=110,12=2,17=6,18=5,40=1/2;
3/5=5,11=2,16=1,25=1,30=1,71=1,74=-5/1,2,3;
4//1;
5/5=2,38=5/2;
6/7=2,8=2,9=2,10=2,28=1/1;
7//1,2,3,16;
1/14=-1,18=20,19=15/3(2);
2/9=110/2;
99//99;
2/9=110/2;
3/5=5,11=2,16=1,25=1,30=1,71=1,74=-5/1,2,3;
4/5=5,16=3/1;
5/5=2,38=5/2;
7//1,2,3,16;
1/14=-1,18=20,19=15/3(-5);
2/9=110/2;
6/7=2,8=2,9=2,10=2,19=2,28=1/1;
99/9=1/99;
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qchem

铁杆木虫 (著名写手)


【答案】应助回帖

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感谢参与,应助指数 +1
半步沧澜2K: 金币+20, 有帮助 2016-07-05 13:28:12
输出就是只有这些吗?
用root来执行Gaussian是不太好的,建议换一个普通用户。
如果需要的话,我可以远程帮你调试下。

发自小木虫IOS客户端
2楼2016-07-05 05:41:16
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半步沧澜2K

金虫 (小有名气)

引用回帖:
2楼: Originally posted by qchem at 2016-07-05 05:41:16
输出就是只有这些吗?
用root来执行Gaussian是不太好的,建议换一个普通用户。
如果需要的话,我可以远程帮你调试下。

嗯嗯,已经弄好了,换了32位的系统和32位软件就好了,不过还是谢谢建议
无与伦比的专注造就独一无二的专业
3楼2016-07-05 13:28:40
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qchem

铁杆木虫 (著名写手)


引用回帖:
3楼: Originally posted by 半步沧澜2K at 2016-07-05 13:28:40
嗯嗯,已经弄好了,换了32位的系统和32位软件就好了,不过还是谢谢建议...

32位,那效率很低的

发自小木虫IOS客户端
4楼2016-07-06 04:53:53
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feng_zi_kai

银虫 (初入文坛)

楼主有没有  gaussian for Linux 64 安装包啊,跪求呢!
zhikai_zhao@126.com, 找了好久没找着
5楼2016-08-02 08:28:42
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