From chemistry-request@server.ccl.net Mon Apr 29 10:16:36 2002 Received: from so.sd.lionbioscience.com ([209.68.255.43]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g3TEGZA22082 for ; Mon, 29 Apr 2002 10:16:35 -0400 Received: from tempest.sd.lionbioscience.com (tempest.sd.lionbioscience.com [10.8.0.8]) by so.sd.lionbioscience.com (8.11.3/8.11.3) with ESMTP id g3TEG2V22612 for ; Mon, 29 Apr 2002 07:16:02 -0700 (PDT) Received: by tempest.sd.lionbioscience.com with Internet Mail Service (5.5.2653.19) id ; Mon, 29 Apr 2002 07:15:43 -0700 Message-ID: From: Stephen Bowlus To: "'chemistry@ccl.net'" Subject: Mopac with Cygwin Date: Mon, 29 Apr 2002 07:15:43 -0700 MIME-Version: 1.0 X-Mailer: Internet Mail Service (5.5.2653.19) Content-Type: multipart/alternative; boundary="----_=_NextPart_001_01C1EF88.591DF210" This message is in MIME format. Since your mail reader does not understand this format, some or all of this message may not be legible. ------_=_NextPart_001_01C1EF88.591DF210 Content-Type: text/plain; charset="iso-8859-1" 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. Does anyone have experience with mopac or similar packages and Cygwin or g77? I have no idea what I need to correct to get runnable code. Thanks in advance, Steve *************************************************************** Stephen B. Bowlus, Ph.D. Senior Computational Scientist LION bioscience, Inc. Stephen.Bowlus@lionbioscience.com 9880 Campus Point Dr. Phone: (858) 410-6542 San Diego, CA 92121 Fax: (858) 410-6665 *************************************************************** ------_=_NextPart_001_01C1EF88.591DF210 Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Mopac with Cygwin

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.

Does anyone have experience with mopac or similar = packages and Cygwin or g77?  I have no idea what I need to correct = to get runnable code.

Thanks in advance,
Steve

***************************************************************=
Stephen B. Bowlus, Ph.D.
Senior Computational Scientist    =

LION bioscience, = Inc.         = Stephen.Bowlus@lionbioscience.com
9880 Campus Point = Dr.           &nb= sp;         Phone: (858) = 410-6542
San Diego, CA = 92121           &= nbsp;           &= nbsp; Fax: (858) 410-6665
***************************************************************=



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