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标题: 高斯计算出现2070错误,但是log文件里面没有报错 [打印本页]

作者
Author:
吕小莫    时间: 2023-3-30 13:30
标题: 高斯计算出现2070错误,但是log文件里面没有报错
高斯计算出现2070错误,但是log文件里面没有报错为什么呀


Entering Link 1 = D:\LenovoSoftstore\Install\GW09\G09W\l1.exe PID=     22336.

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This is part of the Gaussian(R) 09 program.  It is based on
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the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
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Cite this work as:
Gaussian 09, Revision D.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, 2013.

******************************************
Gaussian 09:  IA32W-G09RevD.01 24-Apr-2013
                29-Mar-2023
******************************************
%nprocshared=2
Will use up to    2 processors via shared memory.
%mem=16GB
%chk=D:\GaussianWork\Cu5\Cu5-4.chk
---------------------------------------------------
# opt b3lyp/6-311g(3d,3pd) scf=qc 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=4,6=6,7=605,11=2,16=1,25=1,30=1,71=1,74=-5/1,2,3;
4//1;
5/5=2,8=3,38=5/8;
6/7=2,8=2,9=2,10=2,28=1/1;
7//1,2,3,16;
1/14=-1,18=20,19=15,26=3/3(2);
2/9=110/2;
99//99;
2/9=110/2;
3/5=4,6=6,7=605,11=2,16=1,25=1,30=1,71=1,74=-5/1,2,3;
4/5=5,16=3,69=1/1;
5/5=2,8=3,38=5/8;
7//1,2,3,16;
1/14=-1,18=20,19=15,26=3/3(-5);
2/9=110/2;
6/7=2,8=2,9=2,10=2,19=2,28=1/1;
99/9=1/99;


作者
Author:
liyuanhe211    时间: 2023-3-30 13:39
http://bbs.keinsci.com/thread-4829-11-1.html
"G09 Windows 在 L1.exe 左右无报错退出"
作者
Author:
paramecium86    时间: 2023-3-30 13:42
使用的版本是32位的高斯。对于内存调用有限制。改成 %mem=1200MB  (要小于1.5GB)
作者
Author:
吕小莫    时间: 2023-3-30 14:24
paramecium86 发表于 2023-3-30 13:42
使用的版本是32位的高斯。对于内存调用有限制。改成 %mem=1200MB  (要小于1.5GB)

居然真的可以了,谢谢啊。之前调内存设置,调了好几个值都不行,1000MB都不行,居然1200MB就好了。
作者
Author:
sobereva    时间: 2023-4-1 10:24
吕小莫 发表于 2023-3-30 14:24
居然真的可以了,谢谢啊。之前调内存设置,调了好几个值都不行,1000MB都不行,居然1200MB就好了。

1000MB不可能不行

好好把此文看了
Gaussian的安装方法及运行时的相关问题
http://sobereva.com/439http://bbs.keinsci.com/thread-10814-1-1.html

如置顶的新社员必读贴、论坛首页的公告栏、版头的红色大字非常明确所示,求助帖必须在帖子标题明确体现出此帖内容是求助或提问,并清楚、准确反映出帖子具体内容,避免有任何歧义和含糊性,仔细看http://bbs.keinsci.com/thread-9348-1-1.html。我已把你的不恰当标题 “Gaussian view05提交计算 ” 改了,以后务必注意

另外,没有叫Gaussian view的程序,要么Gaussian要么GaussView




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