From chemistry-request ":at:" server.ccl.net Wed May 1 13:49:51 2002 Received: from ns0.scripps.edu ([192.42.82.58]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g41Hnp112905 for ; Wed, 1 May 2002 13:49:51 -0400 Received: from antigen.scripps.edu (antigen.scripps.edu [137.131.200.100]) by ns0.scripps.edu (8.11.6/TSRI-4.2rx) with SMTP id g41Hnjw15592 for ; Wed, 1 May 2002 10:49:45 -0700 (PDT) Received: from relay1.scripps.edu(137.131.200.29) by antigen.scripps.edu via csmap id 12562; Wed, 01 May 2002 10:47:35 -0700 (PDT) Received: from gamow.scripps.edu (gamow.scripps.edu [137.131.252.67]) by relay1.scripps.edu (8.11.6/TSRI-4.2.1rAV) with ESMTP id g41Hne719510 for ; Wed, 1 May 2002 10:49:40 -0700 (PDT) Received: (from case -A_T- localhost) by gamow.scripps.edu (8.9.2/TSRI-3.0.1) id KAA445436 for chemistry:~at~:ccl.net; Wed, 1 May 2002 10:49:39 -0700 (PDT) Date: Wed, 1 May 2002 10:49:39 -0700 From: David Case To: chemistry %-% at %-% ccl.net Subject: Re: CCL:Mopac with Cygwin Message-ID: <20020501104939.A455581 -A_T- gamow.scripps.edu> References: Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Disposition: inline User-Agent: Mutt/1.2.5i In-Reply-To: ; from stephen.bowlus #at# lionbioscience.com on Mon, Apr 29, 2002 at 07:15:43AM -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 -- ================================================================== 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 ==================================================================