From owner-chemistry@ccl.net Wed Jun 5 19:51:59 1996 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.7.5/950822.1) id TAA19259; Wed, 5 Jun 1996 19:19:58 -0400 (EDT) Received: from gatekeeper.homecare.com for Karl.F.Moschner@unilever.com by bedrock.ccl.net (8.7.5/950822.1) id TAA18699; Wed, 5 Jun 1996 19:19:57 -0400 (EDT) Received: from x500mhub.lo.u1388.unilever.com by gatekeeper.homecare.com; (5.65v3.2/1.1.8.2/24Jan95-0439PM) id AA24489; Thu, 6 Jun 1996 00:19:24 +0100 Received: by x500mhub.lo.u1388.unilever.com; Thu, 6 Jun 96 00:18:04 Z X400-Received: by /c=GB/admd=telemail/prmd=Unilever/; Relayed; 06 Jun 96 00:18:01 Z X400-Received: by mta MTAunilever in /c=GB/admd=telemail/prmd=Unilever/; Relayed; 06 Jun 96 00:18:01 Z X400-Mts-Identifier: [/c=GB/admd=telemail/prmd=Unilever/; 006F131B615A9015-MTAunilever] Content-Identifier: 006F131B615A9015 Content-Return: Allowed X400-Content-Type: P2-1988 ( 22 ) Conversion: Allowed Priority: normal Disclose-Recipients: Prohibited Alternate-Recipient: Allowed X400-Originator: Karl.F.Moschner@unilever.com X400-Recipients: non-disclosure; Message-Id: <006F131B615A9015*/c=gb/admd=telemail/prmd=unilever/o=unilever/ou=ccmail/s=Moschner/g=Karl/i=F/@MHS> Date: 06 Jun 96 00:18:01 Z From: "Karl F Moschner" To: "mckelvey@Kodak.COM" (Return requested), "CHEMISTRY@ccl.net" (Return requested) Subject: Re: Compiling G94 on SGI R8000/IRIX 6.1 Mime-Version: 1.0 Content-Type: multipart/mixed; boundary="PART.BOUNDARY.x500mhub.06f2.31b615ac.0001" --PART.BOUNDARY.x500mhub.06f2.31b615ac.0001 Content-Type: text/plain; charset=us-ascii RFC-822-Headers: X-Mailer: Z-Mail (3.0.0 15dec93) Errors-To: ccl@www.ccl.net Precedence: bulk --PART.BOUNDARY.x500mhub.06f2.31b615ac.0001 Content-Type: text/plain; charset=us-ascii Subject: CCL:G:Compiling G94 on SGI R8000/IRIX 6.1 Author: chemistry-request@www.ccl.net at INTERNET Date: 6/3/96 12:30 PM CClers: What G94 rev-level is required for error free compiles and builds for G94 on an SGI-R8000 using IRIX 6.1 ? HELP! Thanks, John -- John M. McKelvey email: mckelvey@Kodak.COM Computational Science Laboratory phone: (716) 477-3335 2nd Floor, Bldg 83, RL Eastman Kodak Company Rochester, NY 14650-2216 -------------------------------- REPLY ----------------------------------------- I have successfully compiled all revisions since June 95 (at least later than G94 Rev. B.1)on my Power Challenge under Irix 6.1 using SGI Power Fortran 6.1. NOTE: The 'sgi.make' file for the latest release, Rev D.3, requires Irix 6.2, [Power] Fortran 6.2 which is currentl;y being rolled out (I'm scheduled to get my upgrade later this month). But it can be compiled successfully under Irix/Fortran 6.1 by removing the compiler flag 'r8000' from the 'sgi.make' file which appears on only 1 line. WARNING: In the off chance you allocate a lot of scratch space, modify 'Default.Route' so 'MAXDISK=15GB' or less. If you don't you may inadvertently get integer overflow in a counter which can cause an infinite loop in fully direct MP2 calculations such as 'test065'. Good luck! Karl _______________________________________________________________________ / \ | Comments are those of the author and not Unilever Research U. S. | | | | Karl F. Moschner, Ph. D. | | | | Unilever Research U. S. e-mail: karl.f.moschner@unilever.com | | 45 River Road Phone: (201) 840-2629 | | Edgewater, NJ 07020 FAX: (201) 840-8299 | \_______________________________________________________________________/ --PART.BOUNDARY.x500mhub.06f2.31b615ac.0001--