| 查看: 1770 | 回复: 12 | ||
| 当前只显示满足指定条件的回帖,点击这里查看本话题的所有回帖 | ||
nnipp金虫 (小有名气)
|
[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 |
» 猜你喜欢
求助各位大佬,球球了,在这科萨头
已经有0人回复
超导转变温度NaN
已经有4人回复
物理化学论文润色/翻译怎么收费?
已经有195人回复
华南师范大学先进光电子研究院电子纸团队诚聘2026级博士研究生
已经有0人回复
QE利用声子计算的一系列lambda和Tc如何选
已经有8人回复
理论计算合作
已经有2人回复
小木虫的论文辅导靠谱吗?有没有用过的同学?
已经有1人回复
QE计算声子ph.out的Γ点出现虚频(-30cm-1)vasp计算没有
已经有0人回复
40-50万/年,中国散裂中子源诚聘计算模拟方向博士后
已经有81人回复
书籍求助:汽车市场营销理论与实务(电子版)——章小平
已经有0人回复
» 本主题相关价值贴推荐,对您同样有帮助:
GAUSSIAN算频率出错,各位指点一下,谢谢了
已经有6人回复
用Gussian09 .mp2/aug-ccpvqz算氢分子离子的频率出错
已经有8人回复
【求助】位置不同,自旋多重度不同?频率出错.....
已经有6人回复
【求助】计算频率时出错
已经有9人回复
【求助】频率计算出错
已经有4人回复
【求助】linux下做频率计算报错,好像是内存问题。。
已经有10人回复
【求助】G09 没有优化,直接算频率时出错
已经有9人回复
【求助】高斯计算频率(L1101.exe)出错
已经有5人回复
【求助】gaussian频率计算问题
已经有9人回复
【求助】MS5.0中Dmol3计算频率问题
已经有21人回复

nnipp
金虫 (小有名气)
- 应助: 3 (幼儿园)
- 金币: 1003.5
- 散金: 16
- 红花: 3
- 帖子: 172
- 在线: 234.5小时
- 虫号: 376554
- 注册: 2007-05-19
- 性别: GG
- 专业: 理论和计算化学

3楼2012-02-16 09:22:02
nyzhaoyin
新虫 (正式写手)
- 应助: 27 (小学生)
- 金币: 1044.9
- 散金: 112
- 红花: 9
- 帖子: 681
- 在线: 241.5小时
- 虫号: 563016
- 注册: 2008-05-24
- 性别: GG
2楼2012-02-15 17:21:33
zln1987
木虫 (正式写手)
- 应助: 6 (幼儿园)
- 金币: 1756.9
- 散金: 66
- 帖子: 377
- 在线: 130.6小时
- 虫号: 860758
- 注册: 2009-09-30
- 性别: MM
- 专业: 理论和计算化学
4楼2012-02-16 09:44:03
gongxd325
至尊木虫 (文坛精英)
- 应助: 177 (高中生)
- 金币: 37555.6
- 散金: 13187
- 红花: 109
- 帖子: 34003
- 在线: 1843.4小时
- 虫号: 233962
- 注册: 2006-03-30
- 性别: MM
- 专业: 理论和计算化学

5楼2012-02-16 10:06:06













回复此楼