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zhurl123

新虫 (正式写手)

[求助] 高斯2070错误

在一台笔记本电脑上用高斯98可以很顺畅地优化这个分子结构,但是在另外一台台式机上只要一提交任务就出现2070错误,在这个台式机电脑优化其他的分子也没有任何问题,不知道这是什么原因造成的?困扰了很久啊,望各位达人解答。附件是原始的画的分子结构。谢谢各位了!

“2070错误提示信息如下”:The processing of the last link ended abnormally, all processing has been abouted."

输出的log文件信息如下:
Entering Link 1 = C:\G03W\l1.exe PID=      3492.
  
Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2004,2007, Gaussian, Inc.
                  All Rights Reserved.
  
This is the Gaussian(R) 03 program.  It is based on the
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 03, Revision E.01,
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria,
M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven,
K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi,
V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega,
G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota,
R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao,
H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, 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,
P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg,
V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain,
O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari,
J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford,
J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz,
I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham,
C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill,
B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople,
Gaussian, Inc., Wallingford CT, 2004.

******************************************
Gaussian 03:  IA32W-G03RevE.01 11-Sep-2007
                02-Oct-2012
******************************************
%chk=C:\G03W\gvref\Ozawasensei\C6H5-trans-DMTTF\6-31G\Optimization\C6H5-trans-DM
TTF-Optimization-6-31G.chk
fname=C:\G03W\gvref\Ozawasensei\C6H5-trans-DMTTF\6-31G\Optimization\C6H5-trans-DMTTF-Optimization-6-31G.chk fd = -1

open-new-file
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gongxd325

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【答案】应助回帖

感谢参与,应助指数 +1
你先做最简单的计算看能不能完成,比如优化H2,没有%chk=行,只作优化,逐步排除问题,发现原因

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一个人做点好事并不难难的是一辈子做好事!!!
2楼2012-10-03 15:01:09
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zhurl123

新虫 (正式写手)

送鲜花一朵
引用回帖:
2楼: Originally posted by gongxd325 at 2012-10-03 15:01:09
你先做最简单的计算看能不能完成,比如优化H2,没有%chk=行,只作优化,逐步排除问题,发现原因

谢谢楼上的MM,现在发现点小问题了,我把文件名改成比较简单的文件名(如,123),之前是比较长的一个文件名,改了以后就可以算了。

再次感谢!
3楼2012-10-04 19:26:56
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