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lue7

新虫 (正式写手)

[求助] 麻烦帮忙看看G03安装后运行结果 已有2人参与

今天忙活了一天,在Ubuntu上安装了G03。在Windows下的GV画了一个富勒烯gjf文件。粘贴到Ubuntu下,用Unix2dos转化了一下。然后用g03 /home/lue/GaussTemp/c60.gjf运行。c60.log文件如下:
Entering Gaussian System, Link 0=g03
Input=/home/lue/GaussTemp/c60.gjf
Output=/home/lue/GaussTemp/c60.log
Initial command:
/home/lue/Opt//g03/l1.exe /home/lue/GaussTemp/Gau-4429.inp -scrdir=/home/lue/GaussTemp/
Entering Link 1 = /home/lue/Opt//g03/l1.exe PID=      4431.
  
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:  EM64T-G03RevE.01 11-Sep-2007
                20-Mar-2014
******************************************
%chk=c60.chk
%mem=4000M
Error converting string"               4000M" to an integer.
Input conversion error in IntKMC.
Error termination via Lnk1e in /home/lue/Opt//g03/l1.exe at Thu Mar 20 22:25:11 2014.
Job cpu time:  0 days  0 hours  0 minutes  0.0 seconds.
File lengths (MBytes):  RWF=      0 Int=      0 D2E=      0 Chk=      0 Scr=      0


大家帮忙看看,问题出在哪?G03是不是已经成功安装完毕了?谢谢!
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youyno

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【答案】应助回帖

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感谢参与,应助指数 +1
gkf高: 金币+2 2014-03-19 17:06:15
lue7: 金币+10, ★★★很有帮助 2014-03-19 22:00:56
对于内存的要求应该以MB为单位吧!%mem=2000MB?

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平生多磨砺,男儿自横行!
2楼2014-03-19 14:43:42
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Hewei

金虫 (知名作家)

【答案】应助回帖

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感谢参与,应助指数 +1
lue7: 金币+10, ★★★很有帮助, 与楼上一样有帮助! 2014-03-19 22:35:32
楼上正解,就差一个大写的M!
量子力学,魅力无穷!
3楼2014-03-19 22:04:57
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