From chemistry-request@server.ccl.net Sun Mar 19 05:47:06 2000 Received: from lrz.uni-muenchen.de (lsanca1-ar99-078-106.biz.dsl.gtei.net [4.3.78.106]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id FAA27313 for ; Sun, 19 Mar 2000 05:47:06 -0500 Received: (from eugene.leitl@localhost) by lrz.uni-muenchen.de (8.8.8/8.8.8) id CAA08824 for ; Sun, 19 Mar 2000 02:47:12 -0800 Resent-From: Eugene Leitl Resent-Message-ID: <14548.45103.901937.246304@lrz.uni-muenchen.de> Resent-Date: Sun, 19 Mar 2000 02:47:11 -0800 (PST) Resent-To: Message-Id: References: <14536.8767.928589.986289@lrz.uni-muenchen.de> Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii X-Mailer: Mutt 1.0pre3i In-Reply-To: <14536.8767.928589.986289@lrz.uni-muenchen.de> Precedence: bulk From: Erik Arjan Hendriks To: Eugene Leitl Cc: beowulf@beowulf.gsfc.nasa.gov Subject: Re: >2 GByte patch for ext2 Date: Sat, 18 Mar 2000 00:23:19 -0500 On Thu, Mar 09, 2000 at 02:14:23PM -0800, Eugene Leitl wrote: > > Sorry for such a banal question, but I've tried to find the ext2 patch > which allows >2 GByte files, so far in vain. (It is a big problem in > computational chemistry with QM packages like Gaussian and GAMESS). I > thought there was a search engine for the Beowulf list, but I wasn't > able to find it, either (it isn't linked from the Beowulf site?). > > Does someone have a pointer? The large file work we did recently on the 2.2.x kernels is available at: http://www.scyld.com/software/lfs.html You're good to go with ext2 and that stuff. YMMV with the other file systems. - Erik ------------------------------------------------------------------- To unsubscribe send a message body containing "unsubscribe" to beowulf-request@beowulf.org From chemistry-request@server.ccl.net Sun Mar 19 14:46:33 2000 Received: from uvaix7e1.comp.UVic.CA (root@uvaix7e1.comp.UVic.CA [142.104.5.107]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id OAA30071 for ; Sun, 19 Mar 2000 14:46:33 -0500 Received: from p17-15.dialup.UVic.CA (p17-15.dialup.UVic.CA [142.104.17.15]) by uvaix7e1.comp.UVic.CA (8.9.3/8.9.3) with SMTP id LAA146592 for ; Sun, 19 Mar 2000 11:46:32 -0800 From: Roy Jensen To: CHEMISTRY@ccl.net Subject: Dipole Moment from PES scan Date: Sun, 19 Mar 2000 11:46:40 -0800 Message-ID: X-Mailer: Forte Agent 1.7/32.534 MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by server.ccl.net id OAA30072 All Is there a way of getting Gaussian 94 to output the multipole moments at each step of a relaxed or rigid PES scan? Gaussian 98 is available but I have not used it. I will summarize the responses. Roy Jensen