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Explanation of rungauss

#!/bin/csh -fUse the csh shell for interpreting
command lines
# Comment lines
#Copy the input file
set name = `echo $1:t`Set the variable "name"
to the name of the input
file for gaussian. $1 is a
standin for the first argument
passed on the input line.
A variation of "rungauss test.com"
was used in our example shell script.
`echo $1:t` gives back "test".
Note the quote marks are the
backward quote marks which
under the ~, tilde
set home = `echo $1:h`Set up the variable "home"
mkdir /tmp/$$Make a temporary directory in /tmp.
cp $1 /tmp/$$/$nameCopy the .com file from my home
directory to the temporary directory.
cd /tmp/$$Change to the temporary directory.
g03 $nameRun gaussian.
cp *.log $home/whereverCopy the .log file to the
head node in a subdirectory of my choice.
cp *.chk $home/whereverCopy the .chk file to the
head node in a subdirectory of my choice.
cd /tmpChange to the top of the /tmp directory.
rm -rf $$Remove all my temporary files.


Margaret Doll 7-2009