.
(This input file is also commented and tailored to the SP).

 <P> To run the calculation in batch you must use <TT>spsubmit</TT> to
<UL>
<LI> allocate the nodes
<LI> specify the script to run
<LI> provide the arguments (work directory, to the script.
</UL> 
The standard script <TT>/sphome/harrison/hpcci/runnwchem</TT> takes 3
arguments
<OL>
<LI> the work directory (made if necessary)
<LI> the full pathname of input file
<LI> the full pathname of output file which defaults
               to the name of inp