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nnipp

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[求助] 频率续算出错

计算频率中断，保留了rwf(a.rwf,b.rwf)和chk(my.chk)文件。但是rwf文件较大被分割成2个文件：a.rwf,b.rwf

输入如下：
%rwf=a.rwf,b.rwf
%chk=my.chk
#P Restart

输出如下：

Entering Gaussian System, Link 0=g09
Input=96T-MEE-FS-sf.gjf
Output=96T-MEE-FS-sf.log
Initial command:
/home_soft/soft/x86_64/apps/CompChem/g09/l1.exe ./Gau-27823.inp -scrdir=./
Default is to use a total of 4 processors:
                              4 via shared-memory
                              1 via Linda
Entering Link 1 = /home_soft/soft/x86_64/apps/CompChem/g09/l1.exe PID=    27824.

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
            15-Feb-2012
******************************************
%rwf=a.rwf,b.rwf
Error converting string"             b.rwf" to an integer.
Input conversion error in IntKMC.
Error termination via Lnk1e in /home_soft/soft/x86_64/apps/CompChem/g09/l1.exe at Wed Feb 15 11:29:16 2012.
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

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功不唐捐

1楼2012-02-15 11:30:46

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nnipp

金虫 (小有名气)

应助: 3 (幼儿园)
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性别: GG
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引用回帖:

4楼: Originally posted by zln1987 at 2012-02-16 09:44:03:
在输入文件中加入:%rwf=rwf文件的保存路径
把%chk=...restart.chk，
你在试试

我把rwf文件重新定向成一个文件后：

输入如下：
%rwf=c.rwf
%nprocshared=16
%chk=my.chk
#P restart

出错信息显示：
In source file restrt.f, at line number 1338
--- traceback not available