我是新手。在运行g16时遇到了“Segmentation fault”报错。该报错打印在Shell中，在log文件里面我没有找到相应的错误提示。完全相同的输入文件在另外一台服务器中可以正常的运行，算出结果。
另外，尝试将内存改为1000WM或者去掉%mem，以及去掉%nproc没有解决问题，报错相同。
我在网上找了一些回答都是单纯针对C/C++的，例如：
1.(139条消息) Segmentation Fault错误原因总结_喜欢恋着风的博客-CSDN博客_segmentationfault
2.Segmentation fault细谈 - 知乎 (zhihu.com)
对于怎么从g16软件的层面或者直接从linux的层面解决问题暂时没有找到。
因为我不会C/C++所以看完之后也不知道该怎么办。希望站中的老师们能帮忙找一找原因，不胜感激！
我的gjf输入文件如下：--------------------------------------------------------------------------------------------
%chk=/home/server/gw/chk/Mg-MEDJOW-2.chk
%mem=5GB
%nproc=32
# M062X/Def2SVP opt freq
Mg-MEDJOW-2
1 1
Mg1 -3.3382 5.6034 5.0723
O1 -4.6535 6.5395 6.3997
C1 -5.9757 6.2507 6.0305
O2 -6.2124 5.5478 5.0624
C2 -7.0224 6.8798 6.9265
C3 -6.547 7.6459 7.9766
C4 -7.4135 8.2674 8.8577
C5 -8.7609 8.1507 8.7276
C6 -9.3132 7.384 7.6785
C7 -10.716 7.2595 7.5389
C8 -11.2558 6.5223 6.5304
C9 -10.4365 5.8838 5.6268
C10 -9.0791 5.976 5.7228
C11 -8.4434 6.7294 6.7514
H1 -5.4836 7.7801 8.1375
H2 -7.0083 8.861 9.6705
H3 -9.4162 8.6496 9.434
H4 -11.3703 7.7588 8.2459
H5 -12.3336 6.4376 6.4383
H6 -10.8772 5.2985 4.8265
H7 -8.4921 5.4507 4.9815
-----------------------------------------------------------------------------------------------------------
报错后的log文件如下：
-----------------------------------------------------------------------------------------------------------
Entering Gaussian System, Link 0=g16
Initial command:
/home/zzy/sw/g16/l1.exe "/home/zzy/sw/tmp/Gau-11960.inp" -scrdir="/home/zzy/sw/tmp/"
Entering Link 1 = /home/zzy/sw/g16/l1.exe PID= 11962.
Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
Gaussian, Inc. All Rights Reserved.
This is part of the Gaussian(R) 16 program. It is based on
the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
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 16, Revision A.03,
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria,
M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone,
G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich,
J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian,
J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young,
F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone,
T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega,
G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda,
J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai,
T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta,
F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin,
V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand,
K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar,
J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi,
J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas,
J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
******************************************
Gaussian 16: ES64L-G16RevA.03 25-Dec-2016
28-Jun-2022
******************************************
%chk=/home/zzy/gw/chk/Mg-MEDJOW-2-L.chk
%mem=5GB
%nproc=32
Will use up to 32 processors via shared memory.
------------------------
# M062X/Def2SVP opt freq
------------------------
1/18=20,19=15,26=3,38=1/1,3;
2/9=110,12=2,17=6,18=5,40=1/2;
3/5=43,7=101,11=2,25=1,30=1,71=1,74=-55/1,2,3;
4//1;
5/5=2,38=5/2;
6/7=2,8=2,9=2,10=2,28=1/1;
7//1,2,3,16;
1/18=20,19=15,26=3/3(2);
2/9=110/2;
99//99;
2/9=110/2;
3/5=43,7=101,11=2,25=1,30=1,71=1,74=-55/1,2,3;
4/5=5,16=3,69=1/1;
5/5=2,38=5/2;
7//1,2,3,16;
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;
--------------------------------------------------------------------------------------------------------------------
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发表于 Post on 2022-6-29 21:05:39