Subject: Re: CCL:Mopac with Cygwin

From: David Case <[email-masked]>
Date: Wed, 1 May 2002 10:49:39 -0700

On Mon, Apr 29, 2002, Stephen Bowlus wrote:

> I am trying to run Mopac 6 on a P3/Win2K machine under Cygwin.  Set up for
> 20 heavy/30 light atoms and without ESP, the program compiles with g77 with
> only 2 small complaints.  Test runs invoked by redirection (mopac < input >
> output) end with a segmentation fault.  The stackdump gives an error about a
> status access violation.
> 

In my experience, such problems are not limited to Cygwin: I have had 
similar experience with a number of mopac's (versions 5,6,and 7) on Linux,
IRIX, and other Unix systems.

The only free (as in beer) version I have seen that seems to work reliably
with "modern" Unix and Unix-like systems is from the Minnesota group:

    http://comp.chem.umn.edu/mopac

However, this version is provided under a license agreement that doesn't
permit redistribution.

Let me emphasize that I am *not* a mopac expert, and I have not spent time
trying to debug any of the codes I have tried.  I would be delighted to hear
> from the CCL community of pointers to other mopac's that work well under
Linux/cygwin, particularly those that could be freely redistributed.

...thanks...dac

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