From chemistry-request@server.ccl.net Wed Jan 23 04:08:03 2002 Received: from mail2.zrz.tu-berlin.de ([130.149.4.14]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g0N982c10627 for ; Wed, 23 Jan 2002 04:08:02 -0500 Received: from mailszrz.zrz.tu-berlin.de ([130.149.4.11]) by mail2.zrz.tu-berlin.de with esmtp (exim-3.34) id 16TJNd-0007A5-00; Wed, 23 Jan 2002 10:07:41 +0100 Received: from natrium.chem.tu-berlin.de ([130.149.169.143]) by mailszrz.zrz.tu-berlin.de with esmtp (exim-3.34) id 16TJNc-0002a9-00; Wed, 23 Jan 2002 10:07:40 +0100 Mime-Version: 1.0 X-Sender: chwu0531@mailszrz.zrz.tu-berlin.de Message-Id: In-Reply-To: <3C4E022E.E58C6AC1@mail.chem.tamu.edu> References: <200201210143.g0L1hqI01669@server.ccl.net> <3C4E022E.E58C6AC1@mail.chem.tamu.edu> Date: Wed, 23 Jan 2002 10:07:40 +0100 To: Hua-Jun Fan From: Christoph van =?iso-8859-1?Q?W=FCllen?= Subject: Re: CCL:largest system available Cc: chemistry@ccl.net Content-Type: text/plain; charset="iso-8859-1" ; format="flowed" Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by server.ccl.net id g0N983c10628 >Hi, CCLer > >I am interesting in find out what is the largest system studied >using DFT method until now. In another words, assuming one has >enomous of CPU power to himself (eg. 512 cpu, 512GB memory, no >limit cpu time), what is the largest system has been optimized? The issue might be, what is the largest system where a geometry optimization makes sense. +---------------------------------+----------------------------------+ | Prof. Christoph van Wüllen | Tele-Phone (+49) (0)30 314 27870 | | Technische Universität Sekr. C3 | Tele-Fax (+49) (0)30 314 23727 | | Straße des 17. Juni 135 | eMail | | D-10623 Berlin, Germany | Christoph.vanWullen@TU-Berlin.De | +---------------------------------+----------------------------------+ --