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老师，我在做IRC运行时，刚运行就出现了error termination in ntrerr: ntrerr called from fileio的问题，输出文件如下：
Entering Link 1 = C:\G09W\l1.exe PID= 6092.
Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009, 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 A.02,
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, 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, 2009.
******************************************
Gaussian 09: IA32W-G09RevA.02 11-Jun-2009
27-Jul-2017
******************************************
%chk=C:\Users\Administrator\Desktop\RT-IM TS1 OPT FRE IRC.chk
----------------------------------------------------------------------
# irc=calcfc b3lyp/6-31++g(d,p) scrf=check guess=tcheck geom=(connecti
vity,allcheck) genchk
----------------------------------------------------------------------
1/10=4,14=-1,18=20,26=3,29=7,38=1,40=1,44=3,57=2/1,23;
2/9=110,12=2,29=1,40=1/2;
3/5=1,6=6,7=1111,11=2,14=-4,16=1,25=1,30=1,70=2,71=2,74=-5,116=-2/1,2,3;
4/5=101/1;
5/5=2/2;
8/6=4,10=90,11=11/1;
11/6=1,8=1,9=11,15=111,16=1/1,2,10;
10/6=1,7=6,13=1/2;
6/7=2,8=2,9=2,10=2,28=1/1;
7/10=1,18=20,25=1/1,2,3,16;
1/10=4,14=-1,18=20,44=3/23(3);
2/9=110,29=1/2;
7/9=1,25=1,44=-1/16;
99//99;
2/9=110,29=1/2;
3/5=1,6=6,7=1111,11=2,14=-2,16=1,25=1,30=1,70=5,71=2,74=-5/1,2,3;
4/5=5,16=3/1;
5/5=2,38=5/2;
8/6=4,10=90,11=11/1;
11/6=1,8=1,9=11,15=111,16=1/1,2,10;
10/6=1,7=6,13=1/2;
7/10=1,18=20,25=1/1,2,3,16;
1/14=-1,18=20,44=3/23(-8);
2/9=110,29=1/2;
6/7=2,8=2,9=2,10=2,19=2,28=1/1;
7/9=1,25=1,44=-1/16;
99/9=1/99;
FileIO operation on non-existent file.
FileIO: IOper= 2 IFilNo(1)=-20502 Len= 50 IPos= 2 Q= 13505360
dumping /fiocom/, unit = 1 NFiles = 14 SizExt = 524288 WInBlk = 512
defal = T LstWrd = 622080 FType=2 FMxFil=10000
Number 0 501 502 598 989 991 992 993
Base 96256 23552 41472 44032 24576 37888 37376 23040
End 622080 24552 43525 44035 37076 41169 37381 23140
End1 622080 24576 44032 44544 37376 41472 37888 23552
Wr Pntr 96256 23552 41472 44032 24576 37888 37376 23040
Rd Pntr 96256 23552 41472 44032 24576 41169 37381 23140
Length 525824 1000 2053 3 12500 3281 5 100
Number 994 995 996 997 998 999
Base 20480 22528 21504 22016 20992 44544
End 20510 22538 21604 22071 21192 95796
End1 20992 23040 22016 22528 21504 96256
Wr Pntr 20480 22528 21504 22016 20992 44544
Rd Pntr 20510 22538 21604 22069 21192 45796
Length 30 10 100 55 200 51252
dumping /fiocom/, unit = 2 NFiles = 1 SizExt = 0 WInBlk = 512
defal = F LstWrd = 67072 FType=2 FMxFil=10000
Number 0
Base 20480
End 67072
End1 67072
Wr Pntr 20480
Rd Pntr 20480
Length 46592
dumping /fiocom/, unit = 3 NFiles = 1 SizExt = 524288 WInBlk = 512
defal = T LstWrd = 67072 FType=2 FMxFil=10000
Number 0
Base 20480
End 67072
End1 67072
Wr Pntr 20480
Rd Pntr 20480
Length 46592
Error termination in NtrErr:
NtrErr Called from FileIO.
请问老师，这个问题出在哪里？ |
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发表于 Post on 2017-7-27 16:40:13
发表于 Post on 2017-7-28 09:03:49
