From owner-chemistry "-at-" ccl.net Fri Jul 21 12:56:33 1995 Received: from MIZZOU1.missouri.edu for PHYSPLMP -x- at -x- MIZZOU1.missouri.edu by www.ccl.net (8.6.10/930601.1506) id MAA00542; Fri, 21 Jul 1995 12:47:48 -0400 From: Message-Id: <199507211647.MAA00542 %-% at %-% www.ccl.net> Received: from MIZZOU1 by MIZZOU1.missouri.edu (IBM VM SMTP V2R3) with BSMTP id 3026; Fri, 21 Jul 95 11:30:58 CDT Received: by MIZZOU1 (Mailer R2.10 ptf000) id 7161; Fri, 21 Jul 95 11:30:58 CDT Date: Fri, 21 Jul 95 11:24:26 CDT To: chemistry $#at#$ ccl.net Subject: Problems with Mopac7 I have downloaded Mopac7 from osc. After some problems with the Makefile, etc I have compiled it and have an executable for an SGI Indigo Irix 5.3. Many of the testdata appear to work just fine but attemps to use the keywords THERMO (with correct ROT=n)and/or CHARGE=1(or -1) kill the run and return Bus Error ( coredump). I've run other versions of MOPAC successfully on other platforms and am stumped. Any and all suggestions will be appreciated. I'll summarize to the list if there is interest. Many Thanks, Pat Plummer, Univ. of Missouri, physplmp-: at :-mizzou1.missouri.edu