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Full Discussion: Chemist Needs Help
Top Forums UNIX for Dummies Questions & Answers Chemist Needs Help Post 302251184 by jim mcnamara on Saturday 25th of October 2008 01:30:54 PM
Old 10-25-2008
Yes. Those come from this:
Code:
awk '/Done/ {print $2; exit}' Ar_b3lyp_pv5z.out | read col3

This just reads the first 'Done' line from the file. YOu need run this
Code:
awk '/Done/ {print $2; exit}' Ar_b3lyp_pv5z.out

and see what you get. I suspect you get nothing. In that case, play with this line awk statment until it produces what you want. Duplicate your efforts on the other line that creates col4. Dont forget to add the | read col3 and read | col4 statements back onto the line.

If you know what the values are supposed to be anyway, hardcode them in, skip the awk for now example:
Code:
col3=99999
#awk '/Done/ {print $2; exit}' Ar_b3lyp_pv5z.out | read col3

The leading # character comments out the line. Repeat this for the col4 line.
 

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IGAWK(1)							 Utility Commands							  IGAWK(1)

NAME
igawk - gawk with include files SYNOPSIS
igawk [ all gawk options ] -f program-file [ -- ] file ... igawk [ all gawk options ] [ -- ] program-text file ... DESCRIPTION
Igawk is a simple shell script that adds the ability to have ``include files'' to gawk(1). AWK programs for igawk are the same as for gawk, except that, in addition, you may have lines like @include getopt.awk in your program to include the file getopt.awk from either the current directory or one of the other directories in the search path. OPTIONS
See gawk(1) for a full description of the AWK language and the options that gawk supports. EXAMPLES
cat << EOF > test.awk @include getopt.awk BEGIN { while (getopt(ARGC, ARGV, "am:q") != -1) ... } EOF igawk -f test.awk SEE ALSO
gawk(1) Effective AWK Programming, Edition 1.0, published by the Free Software Foundation, 1995. AUTHOR
Arnold Robbins (arnold@skeeve.com). Free Software Foundation Nov 3 1999 IGAWK(1)
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