I'm new to shell script, and I tried to understand why it stopped running after the command which submits a job into Gaussian (a computational chem program). Here is my code.
echo "hi, the script is running..."
location=$(dirname $1)
echo $location
g09 <<EEE
%chk=test2
$(cat $1)
EEE
echo $?
echo "done"
echo "need help??????" >tttt.txt
It doesn't show the last three echos, while the computational program terminates normally.
My assumption is when the program quits, my script is terminated as well. But is it possible? How should I get it around??
**Last login: Tue Jun 21 17:56:40 on ttys001
-bash: ulimit: open files: cannot modify limit: Invalid argument
lab-chem067-02:~ gaussian$ /Users/gaussian/Desktop/test.sh /Users/gaussian/Desktop/cd7041a_cd7041a.gjf
hi, the script is running...**
/Users/gaussian/Desktop
Entering Gaussian System, Link 0=g09
Initial command:
/Applications/gaussian/g09/l1.exe "/Applications/gaussian/scratch/Gau-2788.inp" -scrdir="/Applications/gaussian/scratch/"
Entering Link 1 = /Applications/gaussian/g09/l1.exe PID= 2790.
Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
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.),
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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,
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---------------------------------------------------------------
Warning -- This program may not be used in any manner that
competes with the business of Gaussian, Inc. or will provide
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of this program is prohibited from giving any competitor of
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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: EM64M-G09RevD.01 24-Apr-2013
21-Jun-2016
******************************************
%chk=test2
-------------------------------
#P HF/STO-3G 6d 10f NoSymm FChk
-------------------------------
1/38=1/1;
2/12=2,15=1,17=6,18=5,40=1/2;
3/6=3,8=22,11=9,16=1,25=1,30=1/1,2,3;
4//1;
5/5=2,38=5/2;
6/7=2,8=2,9=2,10=2,28=1/1;
99/5=1,9=1/99;
==============omitted part, chem software output=================
WOMEN HOLD UP HALF THE SKY. -- MAO TSE TUNG
Job cpu time: 0 days 0 hours 0 minutes 1.5 seconds.
File lengths (MBytes): RWF= 7 Int= 0 D2E= 0 Chk= 1 Scr= 1
Normal termination of Gaussian 09 at Tue Jun 21 18:05:20 2016.
**lab-chem067-02:~ gaussian$**
Alright, so it's been a while and I think I should close this question since by the suggestion from @Charles Duffy , I added shebang line and clean up the format by checking if there's any cr/lf problem (I was writing the script on Windows). Yes, that solved the problem. Thank you Charles!
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