From owner-nwchem-users@emsl.pnl.gov Thu Mar 23 04:13:59 2006 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.12.10/8.12.10) with ESMTP id k2NCDxlE001361 for ; Thu, 23 Mar 2006 04:13:59 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.12.10/8.12.10/Submit) id k2NCDxXg001359 for nwchem-users-outgoing-0915; Thu, 23 Mar 2006 04:13:59 -0800 (PST) Date: Thu, 23 Mar 2006 10:02:58 +0100 From: Hans-Ulrich Schaefer Subject: [NWCHEM] nwchemrc To: nwchem-users@emsl.pnl.gov Message-id: <44226442.9000903@lrz.de> MIME-version: 1.0 Content-type: text/plain; charset=UTF-8; format=flowed User-Agent: Thunderbird 1.5 (X11/20051201) Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from QUOTED-PRINTABLE to 8bit by odyssey.emsl.pnl.gov id k2NCDwlE001353 Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk we were successful in building nwchem on an ALTIX and running examples and testcases. We now want to have the nwchem binary located at a location different from the build. I read the INSTALL.binbuilds and this document describes that a reference to the location of the library must be put into a .nwchemrc file. This document also states that - after unpacking - a etc directory should be there with a utility to generate this nwchmrc startup file. Neither a template nwchemrc file nor the etc directory is there after unpacking the nwchem-4.7.tgz file. I could not find any more detailed info on the contents of the nwchemrc startup file in any of the documents. Any help is appreciated. -- mfG --- Hans-Ulrich Schaefer LRZ Abt. Hochleistungsrechnen Email: schaefer@lrz.de LRZ Computational Centr Munich Germany ************************************************************************** * *** WIR ZIEHEN UM (we move) *** * *** Bitte beachten Sie unsere neue Adresse und neuen Rufnummern *** ************************************************************************** * Bis Ende April 2006 | Ab Anfang Mai 2006 * * ----------------------------------+----------------------------------- * * Barer Strasse 21, 80333 München | Boltzmannstrasse 1, 85748 Garching * * Telefon : +49 89 289-27819 | Telefon: +49 89 35831-7819 * * Fax: +49 89 2809460 | Fax: +49 89 35831-9700 * **************************************************************************