mopac automation answers

Here's a summary of the answers I got to my MOPAC question.  I've cut to
 the chase and just put the 'meat' of the answers here.  The one that worked
 very well for my situation was the csh shell script given in the 1st and 3rd
 answers.  The names of those who gave the answers are given to give credit
 where credit is due and also to direct those with questions to the source.
 This is dependent on the type of system you're using, but if all
 your input files are named according to some pattern, you can set
 up a csh script such as
     foreach inp (*.inp)
     mopac $inp
 and run this in batch or "nohupped".  Is this what you're looking for?
 David J. Heisterberg (djh ^at^   The value of philosopy is, in fact, to
 The Ohio Supercomputer Center        sought largely in its very uncertainty.
 Columbus, Ohio                         -- Bertrand Russell
    Mike Cooledge at the Seiler Research Lab at the USAF Academy
 has written a set of very nice scripts for setting up a queue that
 will run jobs one after the other.  You can add jobs to the list or
 remove them also.
   The problem is that I have missplaced his e-mail address.  You
 should be able to get in touch with a (719) 472-2655.
 Try the equivalent of the following UNIX C shell script:
         #! /bin/csh
         foreach f (*.dat)
            mopac `basename $f .dat`
 where the "basename" command removes the '.dat' file extension (our
 of the MOPAC script wants just the root file name).
 system ^at^
 In our UNIX (GENIX5.3) system all you have to do is to
 invoke MOPAC filename1 filename 2 filename3 ... & <return>
 On UNIX systems the & puts the jobs in the background where
 they run merrily without anyone knowing about them.
 When they are done the flassk MOPAC DONE will appear on the
 screen.  This does not amuse anyone who is doing something else
 so we preface our MOPAC call with nohup.  the messages from mopac
 are then in a file called nohup.out.
 The entire procedure looks like this on our AEON system
 NOHUP MOPAC filenmae1 filename2 filename3... &
 The.dat extenders are not needed.
 K.R.Fountain/ sc18 ^at^ NEMOMUS
 This may not help you but there is a great method of automating MOPAC (or any
 other type of molecular modelling calculation or operation) in the CHEM-X
 modelling package.  You can set up the type of calculation required, run the
 batch of molecules and even get CHEM-X to save the results you want into a
 molecular spreadsheet ready to do statistics on.  CHEM-X is relatively
 inexpensive (compared with its competition) .  You can contact Chemical Design
 Ltd (Oxford) by fax on 44-861-250-270.
    Dr. David A. Winkler                        Voice: 61-3-542-2244
    Principal Research Scientist                Fax:   61-3-543-8160
    CSIRO Division of Chemicals and Polymers
    Private Bag 10
    Clayton, Australia.
    dave ^at^
 If I were running MOPAC on a Vax I would use the "SYNCHRONIZE" DCL
 Surely there is something similar in UNIX? SYNCHRONIZE lets you submit multiple
 batch jobs that won't start until the previously "synchronized" one
 This works great on a Vax, but I don't know if there is something similar under
 Greg Durst
 Indpls, IN
  store all what you do usually to run mopac in a  command file
 for example :
 cp toto1.dat FOR005
 cp FOR006 toto1.results
 rm FOR005
 cp toto2.dat FOR005
 cp FOR006 toto2.results
 etc ....
 you can run this file by the command batch or at if you work
 on a unix work station
 Francois BAYARD                  |  e-mail bayard ^at^
 UNIVERSITE CLAUDE BERNARD LYON 1 |  tel    (+33) 72 44 82 79
 43 Bd du 11 Novembre 1918        |  fax    (+33) 72 44 08 03