Re: CCL:Mopac with Cygwin

From: "Victor Anisimov" <victor (- at -) fqspl.com.pl>
Subject: Re: CCL:Mopac with Cygwin
Date: Thu, 2 May 2002 12:24:08 +0200

 ----- 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