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gaussian09提交做了报错 已有1人参与
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各位大侠，我安装了linux版的gaussian09，提交了一个tests目录下的d1.com作业，然后出现了如下错误，还请各位指导一下。 Error: segmentation violation rax 0000000000000000, rbx ffffffffffffffff, rcx ffffffffffffffff rdx 00000000000028a1, rsp 00007ffcd21abd18, rbp 00007ffcd21ac290 rsi 000000000000000b, rdi 00000000000028a1, r8 00002b5ea09c6200 r9 0000000000000000, r10 00007ffcd21abaa0, r11 0000000000000206 r12 0000000000000000, r13 0000000000000000, r14 00007ffcd21ac2d8 r15 00000000000003e6 /lib64/libpthread.so.0(+0xf7e0) [0x2b5e9ff967e0] /lib64/libc.so.6(kill+0x7) [0x2b5ea045b8c7] /apps/g09/l1.exe() [0x49c797] /apps/g09/l1.exe() [0x4c8629] /apps/g09/l1.exe() [0x4b2f9d] /apps/g09/l1.exe() [0x4ae310] /apps/g09/l1.exe() [0x405945] /apps/g09/l1.exe() [0x403a3c] /apps/g09/l1.exe() [0x40365c] /apps/g09/l1.exe() [0x4035dd] /lib64/libc.so.6(__libc_start_main+0xfd) [0x2b5ea0447d1d] /apps/g09/l1.exe() [0x4034d9] log中的内容如下。 Entering Gaussian System, Link 0=/apps/g09/g09 Input=d1.com Output=d1.log Initial command: /apps/g09/l1.exe "/apps/g09/tests/Gau-10400.inp" -scrdir="/apps/g09/tests/" Entering Link 1 = /apps/g09/l1.exe PID= 10401. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2015, 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 E.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: ES64L-G09RevE.01 30-Nov-2015 18-Feb-2017 ****************************************** Route card not found. Error termination via Lnk1e in /apps/g09/l1.exe at Sat Feb 18 22:03:12 2017. 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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2楼2017-02-19 12:50:46
