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From: "Victor Anisimov" <victor $#at#$ fqspl.com.pl>
To: "David Case" <case "-at-" scripps.edu>, <chemistry "-at-" ccl.net>
References: <F449760366ACD411B35F00508B9B0FDB0130AACA |-at-| tempest.sd.lionbioscience.com> <20020501104939.A455581 |-at-| gamow.scripps.edu>
Subject: Re: CCL:Mopac with Cygwin
Date: Thu, 2 May 2002 12:24:08 +0200
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----- Original Message -----
From: "David Case" <case $#at#$ scripps.edu>
To: <chemistry%!at!%ccl.net>
Sent: Wednesday, May 01, 2002 7:49 PM
Subject: 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.
>
>
Just my few cents:
Try Compaq Fortran on Windows and PGI Fortran compiler on Linux.
This will make any version of MOPAC working.

Best regards,
Victor.

Victor Anisimov, PhD
Senior Software Researcher - Computational Chemist
FQS Poland, Fujitsu
ul. Starowislna 13-15, 31-038 Krakow, Poland
Email: victor ":at:" fqspl.com.pl
Tel.(+48 12) 429-4345  Fax(+48 12) 429-6124