Re: CCL:Mopac with Cygwin



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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