From chemistry-request&$at$&server.ccl.net Thu May 2 01:49:45 2002 Received: from red.CACheSoftware.com (IDENT:root "-at-" [12.17.172.66]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g425nh101178 for ; Thu, 2 May 2002 01:49:44 -0400 Received: from daveg-lifebook.cachesoftware.com ([192.168.110.100]) by red.CACheSoftware.com (8.11.6/8.9.3/3) with ESMTP id g4209GF01883; Wed, 1 May 2002 17:09:16 -0700 Message-Id: <5.1.0.14.0.20020501180209.029380c0 ^%at%^ pop3.norton.antivirus> X-Sender: daveg/mail.cachesoftware.com _-at-_)pop3.norton.antivirus X-Mailer: QUALCOMM Windows Eudora Version 5.1 Date: Wed, 01 May 2002 18:11:06 -0700 To: chemistry ^%at%^ ccl.net From: David Gallagher Subject: Re: Mopac with Cygwin Cc: David Case In-Reply-To: <20020501104939.A455581 ":at:" gamow.scripps.edu> References: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii"; format=flowed The latest version of MOPAC 2002 runs under Linux and Windows. It is not free but it is fully supported by Fujitsu. For technical information see http://www.cachesoftware.com/techsupport/mopac/ David Gallagher, Fujitsu At 10:49 AM 5/1/2002 -0700, David Case wrote: >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 > >-- > >================================================================== >David A. Case | e-mail: case-: at :-scripps.edu >Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896 >The Scripps Research Institute | phone: +1-858-784-9768 >10550 N. Torrey Pines Rd. | home page: >La Jolla CA 92037 USA | http://www.scripps.edu/case >================================================================== > > >-= This is automatically added to each message by mailing script =- >CHEMISTRY -A_T- ccl.net -- To Everybody | CHEMISTRY-REQUEST -A_T- ccl.net -- To Admins >MAILSERV- at -ccl.net -- HELP CHEMISTRY or HELP SEARCH >CHEMISTRY-SEARCH \\at// ccl.net -- archive search | Gopher: gopher.ccl.net 70 >Ftp: ftp.ccl.net | WWW: http://www.ccl.net/chemistry/ | Jan: jkl "-at-" ccl.net ============================================== David A. Gallagher, C. Chem. Vice President, Sales and Marketing CAChe Group Fujitsu America, Inc. 15244 NW Greenbrier Parkway Beaverton, OR 97006-5733, USA Direct dial: 503 746 3607 Main Switchboard: 503 746 3600 Fax: 503 531 9966 email: dgallagher -8 at 8- cachesoftware.com URL: http://www.cachesoftware.com ==============================================