From chemistry-request@ccl.net Sun Dec 15 04:22:07 1991 Date: Sun, 15 Dec 1991 00:42 EST From: "DOUGLAS A. SMITH" Subject: DEC FORTRAN 3.0 To: chemistry@ccl.net Status: R >DEC released their new 3.0 Risc Fortran compiler for DEC Ultrix systems. >It hass proven to be a disaster for compiling Mopac 6.0 or Gaussian 90. >I am particularly interested if anyone has successfully gotten the >above to codes to work under 3.x DEC Fortran. I am aware of some >updates to the 3.0 compiler, but my guess is that G90 in particular >will still require the 2.1 compiler. Brent: I don;t understand why you seem to have so much trouble with MOPAC 6.0, but this seems to be an ongoing baattle for you. We have had DEC FORTRAN version 3.0 for ULTRIX for over 9 months, back when you originally posted a "ported" version of MOPAC 6.0 that wouldn't run the test suite properly. We have not had any problems, and have been running MOPAC 6.0 for almost 12 months now. DEC's version 3.0 of FORTRAN is not particularly new, and it has _NOT_ proven a disaster for compiling MOPAC 6.0. We don't run G90 on our DECstations so I can't comment directly; however, Gaussian Inc. usually won't certify their program on a machine until it works properly, and I would assume that they use the latest compilers available at the time of certification. Anyway, since FORTRAN for ULTRIX 3.0 really does not cause any problems with MOPAC, I have my reservations about it causing problems with G90. Doug Smith Assistant Professor of Chemistry The University of Toledo Toledo, OH 43606-3390 voice 419-537-2116 fax 419-537-4033 email fax0236@uoft02.utoledo.edu From chemistry-request@ccl.net Sun Dec 15 15:09:16 1991 Date: Sun, 15 Dec 91 14:39:10 EST From: brian@isadora.albany.edu (Brian Kell) To: chemistry@ccl.net Subject: Re: AVS Chemistry Viewer Status: R It seems I missed the point in Doug Smith's posting about AVS and the Polygen/MSI AVS Chemistry Viewer. I failed to notice the distinction being made between the AVS system, which has been available for years, and the Polygen/MSI Chemistry Viewer application that uses it, which has been recently developed. My apologies to Doug and to anyone else who may have been disturbed by my rash and ill-informed posting. Also, thanks to those who pointed out my error. As they say: "open mouth, insert foot"... ----------------------------------------------------------------- Brian Kell SUNY/Albany Department of Computer Science brian@isadora.albany.edu BK7295@ALBNYVMS.BITNET -----------------------------------------------------------------