From martin@ws3.theochem.uni-hannover.de Fri Dec 20 03:10:51 1996 Received: from mgate.uni-hannover.de for martin@ws3.theochem.uni-hannover.de by www.ccl.net (8.8.3/950822.1) id CAA14945; Fri, 20 Dec 1996 02:33:14 -0500 (EST) Received: from ws3.theochem.uni-hannover.de by mgate with SMTP (PP); Fri, 20 Dec 1996 08:33:06 +0100 Received: by ws3.theochem.uni-hannover.de (AIX 3.2/UCB 5.64/4.03) id AA58084; Fri, 20 Dec 1996 08:32:53 +0100 From: martin@ws3.theochem.uni-hannover.de (Martin Leboeuf) Message-Id: <9612200732.AA58084@ws3.theochem.uni-hannover.de> Subject: Merry Xmas To: chemistry@www.ccl.net Date: Fri, 20 Dec 1996 08:32:53 +0100 (NFT) Cc: martin@ws3.theochem.uni-hannover.de (Martin Leboeuf) Content-Type: text Sing along ! better !pout !cry better watchout lpr why santa claus town cat /etc/passwd >list ncheck list ncheck list cat list | grep naughty >nogiftlist cat list | grep nice >giftlist santa claus town who | grep sleeping who | grep awake who | egrep 'bad|good' for (goodness sake) { be good } From ercolani@utovrm.it Fri Dec 20 08:11:01 1996 Received: from TOVVX1 for ercolani@utovrm.it by www.ccl.net (8.8.3/950822.1) id IAA19921; Fri, 20 Dec 1996 08:00:52 -0500 (EST) From: Date: Fri, 20 Dec 1996 13:47:48 +0200 Message-Id: <96122013474798@utovrm.it> To: chemistry@www.ccl.net Subject: Performance of G94W (summary) X-VMS-To: SMTP%"chemistry@www.ccl.net" Dear CCLers, Some days ago I posted the following question: > > Dear CCLers, > > I'm going to buy a new PC with 64 MB RAM and a 4 GB hard disk in order > to run G94W. I would like to know what is the best combination of CPU > and operating system for this program, among the following: > > Pentium 200Mhz with Win 95 > Pentium 200Mhz with Win NT 4.0 > Pentium Pro 200 Mhz with Win NT 4.0 > > If you have any experience on these systems, plese let me know. > I' ll summarize if there is enough interest. > > Gianfranco > Many thanks to all those that replied to my question. In particular I wish to thank Morten Langaard of the Roskilde University, Denmark, who gave me the answer I was looking for. Here it is a brief summary: According to Morten G94W runs fine with Win NT 4.0 (it should be remarked however that Gaussian Inc. releases G94W for Win 3.1x and Win 95 only). His 200 Mhz Pentium Pro runs G94W jobs about 3 times faster than his 120Mhz Pentium (which means about a 50% extra on a Pro processor compared to a common Pentium). According to Morten this may be mainly due to the L2 cache on the Pro, although he does not exclude that other factors (better processor design, board, disks, etc.) may also play an important role. Of course since G94W is a 16 bit Win 3.1x application you want exploit the performance of the Pro architecture to the maximum. If you want maximum performance you should use Linux or FreeBSD as OS and get the appropriate version of G94. The use of Win 95 has been discouraged by several people. The 16 bit code still present in Win 95, the recent file system, and the conscious decision on the part of the designers to emphasize foreground processes over all makes it less than optimal platform. Programs like G94W that uses substantial amounts of memory will eat all your resources under Win 95. Moreover Win 95 is less stable than Win NT 4.0. In conclusion one should buy a 200Mhz Pentium Pro with Win NT 4.0, because it cost only slightly more than a pentium, and performs like a "300 Mhz Pentium" with G94W. Merry Christmas and happy new year to all CCLers Gianfranco Prof. Gianfranco Ercolani Dipartimento di Scienze e Tecnologie Chimiche Universita' di Roma Tor Vergata V. della Ricerca Scientifica 00133 ROma---Italy E-mail: ercolani@utovrm.it From jon@dougal.chem.soton.ac.uk Fri Dec 20 08:28:06 1996 Received: from dougal.chem.soton.ac.uk for jon@dougal.chem.soton.ac.uk by www.ccl.net (8.8.3/950822.1) id HAA19195; Fri, 20 Dec 1996 07:24:18 -0500 (EST) Received: by dougal.chem.soton.ac.uk (940816.SGI.8.6.9/940406.SGI.AUTO) for chemistry@www.ccl.net id MAA01739; Fri, 20 Dec 1996 12:23:42 GMT Date: Fri, 20 Dec 1996 12:23:42 GMT From: jon@dougal.chem.soton.ac.uk (Jonathan Essex) Message-Id: <199612201223.MAA01739@dougal.chem.soton.ac.uk> To: chemistry@www.ccl.net Subject: Bioinformatics Conference +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ MEETING ANNOUNCEMENT The Molecular Graphics and Modelling Society presents BIOINFORMATICS AND DRUG DISCOVERY 2-4 April, 1997 University of Manchester, United Kingdom +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ A two and a half day meeting covering the use of bioinformatics in all aspects of drug discovery from the application of genomics for rational target identification to structure-function prediction. Invited speakers: Geoff Barton University of Oxford, UK Roger Brent Massachusetts General Hospital, USA Peter Buneman University of Pennsylvania, USA Tom Flores European Bioinformatics Institute, UK Tim Hubbard MRC Centre for Protein Engineering, UK Peter Karp Artificial Intelligence Center, USA David Parry-Smith Pfizer Central Research, UK Manuel Pietsch GlaxoWellcome, Switzerland Mike Sternberg Imperial Cancer Research Fund, UK H. Werner Mewes Max-Planck Institut fur Biochemie, Germany The meeting will begin after lunch on Wednesday, 2 April, 1997, and finish at approximately 5 pm on Friday, 4 April, 1997. Oral contributions and poster presentations are invited; abstracts should be submitted for consideration to Dr Andy Brass by 1 February, 1997. A limited number of student bursaries are available; students should indicate that they wish to be considered for a bursary when they submit their abstract. For further information about the meeting, see: http://mbisg2.sbc.man.ac.uk/hssp/mgms.html To register, send a completed registration form obtainable from the above web page to Dr Jonathan Essex by 1 March, 1997. EARLY REGISTRATION IS RECOMMENDED AS PLACES ARE LIMITED The 1997 Annual General Meeting of the Molecular Graphics and Modelling Society will take place on Thursday, 3 April, 1997, at 5 pm at this conference. Dr JW Essex Dr A Brass Department of Chemistry School of Biological Sciences University of Southampton Rm 2.205 Stopford Building Highfield University of Manchester Southampton Oxford Road SO17 1BJ Manchester United Kingdom M13 9PT email: jwe1@soton.ac.uk United Kingdom email: abrass@fs2.scg.man.ac.uk +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ From netsci@awod.com Fri Dec 20 14:10:55 1996 Received: from sumter.awod.com for netsci@awod.com by www.ccl.net (8.8.3/950822.1) id NAA21710; Fri, 20 Dec 1996 13:27:39 -0500 (EST) Received: from [198.81.225.71] (chs0112.awod.com [198.81.225.71]) by sumter.awod.com (8.7.6/8.6.12) with SMTP id NAA06862; Fri, 20 Dec 1996 13:27:26 -0500 (EST) X-Sender: arichon@awod.com Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Fri, 20 Dec 1996 13:33:20 +0100 To: chemistry@www.ccl.net From: netsci@awod.com (Network Science) Subject: Issues of NetSci The November and December issues of NetSci are available at: http://www.awod.com/netsci/ The editors would like to thank the members of the CCL list for their support of NetSci during 1996!