From chemistry-request@server.ccl.net Tue Apr 13 13:12:17 1999 Received: from www.ccl.net (www.ccl.net [192.148.249.5]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id NAA23843 for ; Tue, 13 Apr 1999 13:12:16 -0400 Received: from voicenet.com (mail12.voicenet.com [207.103.0.6]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id NAA25650 Tue, 13 Apr 1999 13:08:39 -0400 (EDT) Date: Tue, 13 Apr 1999 13:08:39 -0400 (EDT) Message-Id: <199904131708.NAA25650@www.ccl.net> Received: (qmail 4683 invoked from network); 13 Apr 1999 17:08:38 -0000 Received: from dialup502-pri.voicenet.com (HELO billag.voicenet.com) (207.103.81.130) by mail12.voicenet.com with SMTP; 13 Apr 1999 17:08:38 -0000 X-Sender: billag@popmail.voicenet.com X-Mailer: Windows Eudora Light Version 1.5.2 Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: Douglas_Stack/CAS/UNO/UNEBR@unomail.unomaha.edu From: Bill Glauser Subject: CCL:G:Jaguar Cc: chemistry@www.ccl.net Dear Douglas, Schrodinger, Inc. doesn't have access to G94 or G98 - that's why the comparison was run versus G92. I have not heard anything about Q-Chem one way or the other. But from anecdotal reports, we hear that Jaguar's speed advantages do hold in comparison with G94 and G98. Certainly there will be some changes, but the qualitative speedups are expected to remain more or less the same. Schrodinger, Inc. would very much like to see a comparison among the latest versions of the leading ab initio programs for treating large systems (run on the same platform). And we have always made Jaguar available (upon request) for a trial period for anyone wanting to perform benchmarking or any other form of testing. Best regards, Bill ---- At 03:40 PM 4/12/99 -0500, you wrote: >The orginal post refered to G92. Does Jaguar's speed advantage hold in >comparasion to G94 and the newly releasesd G98? >How does Q-Chem compare to either programs. It would be nice to see a review of >the lastest release of all three programs for large systems on a similar >platform. > > >Douglas E. Stack >Assistant Professor >Department of Chemistry >University of Nebraska at Omaha >Omaha, NE 68182-0109 >(402) 554-3647 >(402) 544-3647 (fax) >Douglas_Stack@unomaha.edu ---- William A. Glauser / Schrodinger, Inc. / 800-207-7482 / 610-869-0578 610-869-0577 (fax) / billg@schrodinger.com / http://www.schrodinger.com