From chemistry-request@server.ccl.net Sat Dec 19 05:58:13 1998 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 FAA06759 for ; Sat, 19 Dec 1998 05:58:13 -0500 Received: from mail.matav.hu (mail.matav.hu [145.236.224.244]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id FAA02491 Sat, 19 Dec 1998 05:54:52 -0500 (EST) Received: (qmail 17937 invoked from network); 19 Dec 1998 11:54:51 +0100 Received: from line-209-238.dial.matav.net (HELO inhale) (145.236.209.238) by mail.matav.hu with SMTP; 19 Dec 1998 11:54:51 +0100 Message-ID: <367B853A.AABDD0EE@chemaxon.com> Date: Sat, 19 Dec 1998 11:51:38 +0100 From: Ferenc Csizmadia Organization: ChemAxon X-Mailer: Mozilla 4.01 [en] (WinNT; I) MIME-Version: 1.0 To: chemistry@www.ccl.net Subject: New year -> new ideas for chemistry software X-Priority: 3 (Normal) Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit I would like to know your opinion about future trends in chemical software development. What will be the hottest topics in the near future? What are the areas that need new approaches from program developers? Ferenc Csizmadia ~~~~~~ Ferenc Csizmadia, Ph.D. ChemAxon Ltd. Valyog u. 7, H-1032 Budapest, Hungary http://www.chemaxon.com T:+3620 9570988 mailto:fcsiz@chemaxon.com From chemistry-request@server.ccl.net Sat Dec 19 16:20:28 1998 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 QAA06886 for ; Sat, 19 Dec 1998 16:20:28 -0500 Received: from zeus.fcq.unc.edu.ar (zeus.fcq.unc.edu.ar [200.16.18.54]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id QAA03607 Sat, 19 Dec 1998 16:17:01 -0500 (EST) Received: by zeus.fcq.unc.edu.ar; (5.65/1.1.8.2/27Feb98-1006AM) id AA18601; Sat, 19 Dec 1998 19:18:49 -0400 Date: Sat, 19 Dec 1998 19:18:49 -0400 (ADT) From: "Lic. Domingo M. Vera" To: Ruth Tanner Cc: chemistry@www.ccl.net Subject: Re: CCL:G:Linux vs Windows 95 vs Windows NT In-Reply-To: Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII On Fri, 18 Dec 1998, Ruth Tanner wrote: > > I am debating which platform to use on my PC when (if) we get a new PC > that will be dedicated for running Gaussian98. I would like to know what > the benefits are to using a Unix platform on a PC over using a > Windows-based platform (and vice versa). I would also like to know from > people who have had experience installing Gaussian98 on PCs whether they > prefer Linux, Windows 95/98 or Windows NT and for what reasons. > > thanks :) > Ruth > > ----------------------------------------------------------------------------- > Ruth Tanner rtanner@uoguelph.ca > Masters Student in Physical Chemistry Chemistry Department > B.Sc. Chemical Physics (Co-op) Minor in English Literature > University of Guelph http://www.uoguelph.ca/~rtanner/ > ---------------------------------------------------------------------------- > "The only way to atone for being occasionally a little over-dressed is > by being always absolutely over-educated." Oscar Wilde > ============================================================================ > > > -------This is added Automatically by the Software-------- > -- Original Sender Envelope Address: chemistry-request@www.ccl.net > -- Original Sender From: Address: rtanner@uoguelph.ca > CHEMISTRY@www.ccl.net: Everybody | CHEMISTRY-REQUEST@www.ccl.net: Coordinator > MAILSERV@www.ccl.net: HELP CHEMISTRY or HELP SEARCH | Gopher: www.ccl.net 73 > Anon. ftp: www.ccl.net | CHEMISTRY-SEARCH@www.ccl.net -- archive search > Web: http://www.ccl.net/chemistry.html Dear Ruth Perhaps you expect an answer such as "Linux can run g94 jobs faster than Windows" or "Linux is really a multi-tasking, multi-user, networked OS", etc.. But let me put it in this different way: When I received your message I simply issued the command 'uptime' in each of my workstations runing Linux. This command returns the time elapsed from the last reboot, system crash, power fail,etc. The answers were: 3 months 35 days... 5 months 14 days... 5 months 14 days... Now, please try to imagine a Windows box that can survive at least a weak without horribly crashing with an infamous message such as 'General protection fault on module XXX' 'Please exit all your application and restart....' This is just one reason to consider a robust networked OS as Linux as your Natural choice for running long g94 jobs. With the same resources (installed memory, disks, processor,etc.) that MSWord 97 takes some minutes to save and send a complex transparency or presentation to your printer, a Linux machine can be computing a post Hartree Fock g94 calculation, sending mail, supporting a web server and printing dozens of pages to a Postcript printer without showing a great effort. On the other hand, if you never had worked in Unix, you may consider a painful experience to install Linux and migrating to a very different OS. This was true up to a year ago. Right now, the installation of a RedHat Linux 5.2 is very easy, it was simplified a lot. The same is true for Caldera 1.3 (but I find the former a bit more friendly for beginers). The windows managers included with the distribution are very handly and the system administration has a fully integrated graphical interface. You can also find high quality office software such as Office Write, WordPerfect, Corel, available for $20-100 and tons of Computational chemistry visualization programs for free. So, for 'computer-friendly' people, the migration to Linux can be almost painless. Best regards, Mariano D. Mariano. A. Vera PhD student at Computational Chemistry and Electron Transfer Group Dpt. of Organic Chemistry - Faculty of Chemistry Sciences. Universidad Nacional de Cordoba, Ciudad Universitaria, 5000, Cordoba, ARGENTINA. Fax: 54-51-333030 Voice:54-51-334170 mariano@zeus.fcq.unc.edu.ar