From chemistry-request "-at-" ccl.net Tue Jun 23 19:15:15 1992 Received: from ohstpy.mps.ohio-state.edu for jkl by oscsunb.ccl.net (5.65c/pl1+KVa/920330.1102) id AA05671; Tue, 23 Jun 1992 19:15:12 -0400 Received: from oscsunb.ccl.net by MPS.OHIO-STATE.EDU (PMDF #12887) id <01GLKCH6P5SW9I487T- at -MPS.OHIO-STATE.EDU>; Tue, 23 Jun 1992 19:16 EDT Received: for jkl -x- at -x- ohstpy.mps.ohio-state.edu by oscsunb.ccl.net (5.65c/pl1+KVa/920330.1102) id AA04807; Tue, 23 Jun 1992 18:33:09 -0400 Received: from mp.cs.niu.edu by oscsunb.ccl.net (5.65c/pl1+KVa/920330.1102) id AA03393; Tue, 23 Jun 1992 17:43:31 -0400 Received: from cz2.chem.niu.edu by mp.cs.niu.edu with SMTP id AA23835 (5.65c/IDA-1.5 for < # - at - # mp.cs.niu.edu:CHEMISTRY # - at - # ccl.net>); Tue, 23 Jun 1992 16:14:59 -0500 Received: from smb.chem.niu.edu by cz2.chem.niu.edu (5.52/890607.SGI) (for # - at - # mp.cs.niu.edu:CHEMISTRY # - at - # ccl.net) id AA11631; Tue, 23 Jun 92 16:14:59 CDT Received: by smb.chem.niu.edu (920110.SGI/890607.SGI) (for ^%at%^ cz2.chem.niu.edu:CHEMISTRY ^%at%^ ccl.net) id AA10751; Tue, 23 Jun 92 16:14:57 -0500 Date: Tue, 23 Jun 92 16:14:57 -0500 From: smb $#at#$ smb.chem.niu.EDU (Steven Bachrach) Subject: G90 CASSCF problems on SGI Sender: chemistry-request $#at#$ ccl.net To: CHEMISTRY ":at:" ccl.net Errors-To: owner-chemistry:~at~:ccl.net Message-Id: <9206232114.AA10751 {*at*} smb.chem.niu.edu> X-Envelope-To: jkl -A_T- ccl.net Precedence: bulk Status: R Help! I cannot get G90 to execute CASSCF jobs, including the example of cyclobutadiene given in the manual. I have recompiled G90 under Irix 4.0.1 and FTN 3.4.1. The job just dies, leaving no error message. I have also recompiles under Irix 4.0.4 with the maintence update FTN 3.4.3, and the same thing happens - bombs away with no message. Funny thing is that using the G90 executable complied under 3.3.2 but now running Irix 4.0.1 does run! Is there something goofy with FTN or with G90? Steven Bachrach Department of Chemistry Northern Illinois University DeKalb, Il 60115 smb \\at// smb.chem.niu.edu