From chemistry-request@server.ccl.net Sun May 20 17:11:23 2001 Received: from mail.t-intra.de ([62.156.146.210]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f4KLBNI27724 for ; Sun, 20 May 2001 17:11:23 -0400 Received: from chemcomp.de ([195.90.194.195]) by mail.t-intra.de with Microsoft SMTPSVC(5.5.1877.507.50); Sun, 20 May 2001 23:10:26 +0200 Message-ID: <3B083280.988B76A8@chemcomp.de> Date: Sun, 20 May 2001 23:09:20 +0200 From: wolfram@chemcomp.de X-Mailer: Mozilla 4.73 [de] (Win98; U) X-Accept-Language: de MIME-Version: 1.0 To: chemistry@ccl.net Subject: CCG ANNOUNCES THE CREATION OF THE "CCG YOUNG INVESTIGATORS AWARD" TO BE PRESENTED AT EUROCOMBI-1 Content-Type: multipart/alternative; boundary="------------B94C7B000A639ADE116227C0" --------------B94C7B000A639ADE116227C0 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit CCG ANNOUNCES THE CREATION OF THE "CCG YOUNG INVESTIGATORS AWARD" TO BE PRESENTED AT EUROCOMBI-1 Lörrach, Budapest, May 20, 2001 Chemical Computing Group AG (www.chemcomp.com), in conjunction with EUROCOMBI-1 (The First Symposium of the European Society for Combinatorial Sciences), today announced the creation of the "CCG Young Investigators Award" to be presented at the upcoming Eurocombi-1 conference to be held in Budapest, July 1st – 5th, 2001. The award is intended to recognize exceptional researchers in the area of Combinatorial Chemistry. It will consist of a cash payment of $ 2000. "We are very happy to provide support for the award," stated Dr. Wolfram Altenhofen, Director of Scientific Services for CCG. "We feel it is vital to recognize exceptional scientists and encourage researchers in the area of Combinatorial Chemistry". Dr. Gábor Dibó, Associate Professor at Eötvös University, Department of Organic Chemistry and organizer of Eurocombi- 1 who was reached in Budapest, said "We are delighted in having CCG join with us in honoring excellence in Combinatorial Chemistry research. CCG is known as a leading provider of Life Science/Drug discovery software while at the same time has a reputation of being a strong supporter of awards for scientific excellence." Those interested in applying for the "CCG Young Investigators Award" must have their applications in by: June 15, 2001. Interested parties should forward an extended abstract (2–4 pages) to Dr. Gábor Dibó. For more information, please see www.eurocombi.com. CCG is a leading provider of drug discovery softwares for the pharmaceutical industry. MOE's built-in suites of applications cover a wide range of research areas including: High Throughput Screening Data Analysis, Combinatorial Chemistry Library Design, Protein & Homology Modeling, Structure Based Design and methods development as well as molecular modeling and simulation. MOE runs on a variety of platforms including Hewlett-Packard HP-UX, Silicon Graphics IRIX, Sun Solaris, LINUX, Windows 95/98/2000 and Windows NT and can be accessed via a graphical user interface, batch or Web modes. Dr. Wolfram Altenhofen Director of Scientific Services Chemical Computing Group AG Wiesentalstr. 74a 79539 Lörrach Germany Fon: +49 7621 4223390 Fax. +49 7621 42233939 email: wolfram@chemcomp.de --------------B94C7B000A639ADE116227C0 Content-Type: text/html; charset=iso-8859-1 Content-Transfer-Encoding: 8bit CCG ANNOUNCES THE CREATION OF THE "CCG YOUNG
INVESTIGATORS AWARD" TO BE PRESENTED AT EUROCOMBI-1

Lörrach, Budapest, May 20, 2001

Chemical Computing Group AG (www.chemcomp.com), in
conjunction with EUROCOMBI-1 (The First Symposium of the
European Society for Combinatorial Sciences), today
announced the creation of the "CCG Young Investigators
Award" to be presented at the upcoming Eurocombi-1
conference to be held in Budapest, July 1st – 5th, 2001. The
award is intended to recognize exceptional researchers in the
area of Combinatorial Chemistry. It will consist of a cash
payment of  $ 2000.

"We are very happy to provide support for the award," stated
Dr. Wolfram Altenhofen, Director of Scientific Services for CCG.
"We feel it is vital to recognize exceptional scientists and
encourage researchers in the area of Combinatorial
Chemistry".

Dr. Gábor Dibó, Associate Professor at Eötvös University,
Department of Organic Chemistry and organizer of Eurocombi-
1 who was reached in Budapest, said "We are delighted in
having CCG join with us in honoring excellence in
Combinatorial Chemistry research.  CCG is known as a leading
provider of Life Science/Drug discovery software while at the
same time has a reputation of being a strong supporter of
awards for scientific excellence."

Those interested in applying for the "CCG Young Investigators
Award" must have their applications in by: June 15, 2001.
Interested parties should forward an extended abstract (2–4
pages) to Dr. Gábor Dibó.  For more information, please see
www.eurocombi.com.

CCG is a leading provider of drug discovery softwares for the
pharmaceutical industry. MOE's built-in suites of applications
cover a wide range of research areas including:  High
Throughput Screening Data Analysis, Combinatorial Chemistry
Library Design, Protein & Homology Modeling, Structure Based
Design and methods development as well as molecular
modeling and simulation.  MOE runs on a variety of platforms
including Hewlett-Packard HP-UX, Silicon Graphics IRIX, Sun
Solaris, LINUX, Windows 95/98/2000 and Windows NT and can
be accessed via a graphical user interface, batch or Web
modes.
 

Dr. Wolfram Altenhofen
Director of Scientific Services
Chemical Computing Group AG

Wiesentalstr. 74a
79539 Lörrach
Germany

Fon: +49 7621 4223390
Fax. +49 7621 42233939
email: wolfram@chemcomp.de
  --------------B94C7B000A639ADE116227C0-- From chemistry-request@server.ccl.net Mon May 21 11:58:26 2001 Received: from ccl.net ([192.148.249.4]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f4LFwPI26274 for ; Mon, 21 May 2001 11:58:25 -0400 Received: from gap.cco.caltech.edu (gap.cco.caltech.edu [131.215.139.43]) by ccl.net (8.9.3/8.9.3/OSC 2.0) with ESMTP id LAA27892 for ; Mon, 21 May 2001 11:58:22 -0400 (EDT) Received: (from news@localhost) by gap.cco.caltech.edu (8.9.3/8.9.3) id IAA19222; Mon, 21 May 2001 08:58:02 -0700 (PDT) To: mlist-chemistry@nntp-server.caltech.edu Path: news From: "Richard P. Muller" Newsgroups: mlist.chemistry Subject: Good review on molecular integrals using Gaussians? Date: Mon, 21 May 2001 08:57:33 -0700 Organization: California Institute of Technology, Pasadena Lines: 13 Message-ID: <3B093AED.F85B4B34@wag.caltech.edu> NNTP-Posting-Host: dhcp-26-202.wag.caltech.edu Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 4.76 [en] (Win98; U) X-Accept-Language: en Can anyone recommend a good review article on the different techniques for evaluating molecular integrals using Gaussian basis functions? I have many different papers on the topic. However, I'm sure that someone has written a scholarly review of the literature that might point me to techniques I've missed. Thanks in advance for any help you can provide. Rick -- Richard P. Muller, Ph.D. rpm@wag.caltech.edu http://www.wag.caltech.edu/home/rpm From chemistry-request@server.ccl.net Mon May 21 10:08:25 2001 Received: from ucidoor.unitedcatalysts.com ([208.23.162.2]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f4LE8PI24266 for ; Mon, 21 May 2001 10:08:25 -0400 Received: by ucidoor.unitedcatalysts.com; (8.8.8/1.3/10May95) id KAA00773; Mon, 21 May 2001 10:08:23 -0400 (EDT) Received: from 10.1.0.50 by ucismtp02.unitedcatalysts.com (InterScan E-Mail VirusWall NT); Mon, 21 May 2001 10:08:51 -0400 (Eastern Daylight Time) Received: from lvlxch01.unitedcatalysts.com ([10.16.100.88]) by lvlmail.unitedcatalysts.com (PMDF V6.0-24 #41777) with ESMTP id <0GDO00D92V2P8G@lvlmail.unitedcatalysts.com> for chemistry@ccl.net; Mon, 21 May 2001 10:04:01 -0400 (EDT) Received: by lvlxch01.unitedcatalysts.com with Internet Mail Service (5.5.2650.21) id ; Mon, 21 May 2001 10:08:32 -0400 Content-return: allowed Date: Mon, 21 May 2001 10:08:25 -0400 From: "Shobe, Dave" Subject: RE: CAS Registry Numbers algorithm To: "'CCL'" Message-id: <157A51F55AAAD3119CD70008C7B1629DDAAEE5@lvlxch01.unitedcatalysts.com> MIME-version: 1.0 X-Mailer: Internet Mail Service (5.5.2650.21) Content-type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by server.ccl.net id f4LE8QI24269 The algorithm described will catch transposition errors, since in xxabx-xx-x the "ab" will contribute (k)b + (k+1)a and in xxbax-xx-x the "ba" will contribute (k)a + (k+1)b. ("k" here representing the position of the 2nd of the transposed digits). For these to make equal contributions to the checksum, (k)b + (k+1)a = (k)a + (k+1)b implies a = b. The ISBN code uses a similar error-detection scheme (see section 4.4 of http://www.isbn.org/standards/home/isbn/international/html/usm4.htm), but the result is modulo 11 rather than modulo 10.* As a result some of the ISBN "numbers" end in "X" instead of a digit. --David Shobe Süd-Chemie Inc. phone (502) 634-7409 fax (502) 634-7724 email dshobe@sud-chemieinc.com *The term "modulo" refers to classifying numbers by their remainders when dividing by a fixed number. The CAS RN algorithm described below is "modulo 10" since it uses only the last digit of the number, i.e. the remainder one would get if dividing by 10. -----Original Message----- From: Jacobo Cruces Colado [mailto:qocruces@usc.es] Sent: Saturday, May 19, 2001 9:57 AM To: chemistry@ccl.net Subject: CCL:CAS Registry Numbers algorithm Dear all: Searching the archives of CHMINF-L@LISTSERV.INDIANA.EDU (URL is http://listserv.indiana.edu/archives/chminf-l.html), I found out the algorithm used to generate the checksum number of every CAS RN. Since it could be of interest for some people in the list, I will reproduce the text here (thanks to the original sender, Gary Wiggins; I hope not to break any rule by reproducing this and giving the source): ALGORITHM: The last digit is a checksum digit of the unit integer of the summed products of multiplying the left-next-most integer by 1, followed by multiplying the left-next-most integer by 2, etc. e.g.'s: Acetone: RN= 67-64-1 1X4 + 2X6 + 3X7 + 4X6 = 61, and 1 is the checksum digit of RN=67-64-1. Butane: RN= 106-97-8 1X7 + 2X9 + 3X6 + 4X0 + 5X1 = 48, and 8 is the checksum digit of RN=106-97-8 However, other people has pointed out this algorithm to be defective: due to our decimal notation system, the same checksum number can be obtained for a transposed number. Comments?? -= This is automatically added to each message by mailing script =- CHEMISTRY@ccl.net -- To Everybody | CHEMISTRY-REQUEST@ccl.net -- To Admins MAILSERV@ccl.net -- HELP CHEMISTRY or HELP SEARCH CHEMISTRY-SEARCH@ccl.net -- archive search | Gopher: gopher.ccl.net 70 Ftp: ftp.ccl.net | WWW: http://www.ccl.net/chemistry/ | Jan: jkl@ccl.net From chemistry-request@server.ccl.net Mon May 21 10:38:37 2001 Received: from hotmail.com ([64.4.14.166]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f4LEcaI24788 for ; Mon, 21 May 2001 10:38:37 -0400 Received: from mail pickup service by hotmail.com with Microsoft SMTPSVC; Mon, 21 May 2001 07:38:29 -0700 Received: from 196.1.114.240 by lw10fd.law10.hotmail.msn.com with HTTP; Mon, 21 May 2001 14:38:29 GMT X-Originating-IP: [196.1.114.240] From: "vishwanatha sastry" To: chemistry@ccl.net Subject: References on Hydration patterns of ethylene and propylene glycols Date: Mon, 21 May 2001 20:08:29 +0530 Mime-Version: 1.0 Content-Type: text/plain; format=flowed Message-ID: X-OriginalArrivalTime: 21 May 2001 14:38:29.0777 (UTC) FILETIME=[B3EC7010:01C0E203] Hi Colleques and friends, I am looking for references both latest and past on the experimental and theoretical studies on hydration patterns of ethylene and propylene glycols. I request all those netters who are working in these particular systems or alcohol - water systems in general to respond with the literature references they may have in their files as well as with the addresses of research groups they know. We have started some work on these sytems in bulk solution as well as in gas phase using ab initio MESP calculations. The past and contemporary references on such work are highly useful in planning my work properly. Thanking in advance. With best regards yours sincerely (Dr. N. V. Sastry) C/O Prof. S. R. Gadre Department of Chemistry University of Pune Pune - 411 007, India email: nvs_4@hotmail.com _________________________________________________________________________ Get Your Private, Free E-mail from MSN Hotmail at http://www.hotmail.com. From chemistry-request@server.ccl.net Mon May 21 11:58:26 2001 Received: from ccl.net ([192.148.249.4]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f4LFwQI26280 for ; Mon, 21 May 2001 11:58:26 -0400 Received: from gap.cco.caltech.edu (gap.cco.caltech.edu [131.215.139.43]) by ccl.net (8.9.3/8.9.3/OSC 2.0) with ESMTP id LAA27894 for ; Mon, 21 May 2001 11:58:24 -0400 (EDT) Received: (from news@localhost) by gap.cco.caltech.edu (8.9.3/8.9.3) id IAA19152; Mon, 21 May 2001 08:55:26 -0700 (PDT) To: mlist-chemistry@nntp-server.caltech.edu Path: news From: "Richard P. Muller" Newsgroups: mlist.chemistry Subject: Re: CCL:Group Contribution Methods Date: Mon, 21 May 2001 08:54:55 -0700 Organization: California Institute of Technology, Pasadena Lines: 30 Message-ID: <3B093A4F.AE1C0330@wag.caltech.edu> References: NNTP-Posting-Host: dhcp-26-202.wag.caltech.edu Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 4.76 [en] (Win98; U) X-Accept-Language: en I would be interested in hearing anything you get on this. Thanks! Rick "Golab, Joseph T" wrote: > > Hello: > > In updating a software catalogue, are there any other programs (in addition > to NIST database 25 and CHETAH) that can calculate heats of formation, > entropy, heats of reaction, etc. based on Benson's (or Benson-like) Group > Contribution Methods. Thanks in advance. > > Joe > ________________________________________________________________ > Joseph T. Golab Phone: +1 (630) 961-7878 > BP Naperville Complex, C-7 Fax: +1 (630) 420-4382 > 150 W. Warrenville Rd e-mail: GolabJT@BP.com > Naperville, IL 60563 SOCON: 231 > > -= This is automatically added to each message by mailing script =- > CHEMISTRY@ccl.net -- To Everybody | CHEMISTRY-REQUEST@ccl.net -- To Admins > MAILSERV@ccl.net -- HELP CHEMISTRY or HELP SEARCH > CHEMISTRY-SEARCH@ccl.net -- archive search | Gopher: gopher.ccl.net 70 > Ftp: ftp.ccl.net | WWW: http://www.ccl.net/chemistry/ | Jan: jkl@ccl.net -- Richard P. Muller, Ph.D. rpm@wag.caltech.edu http://www.wag.caltech.edu/home/rpm From chemistry-request@server.ccl.net Mon May 21 14:18:02 2001 Received: from orion.chem.vt.edu (IDENT:root@[128.173.180.103]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f4LII2I29237 for ; Mon, 21 May 2001 14:18:02 -0400 Received: from localhost (crawdad@localhost) by orion.chem.vt.edu (8.11.0/8.11.0) with ESMTP id f4LII2E04011 for ; Mon, 21 May 2001 14:18:02 -0400 X-Authentication-Warning: orion.chem.vt.edu: crawdad owned process doing -bs Date: Mon, 21 May 2001 14:18:02 -0400 (EDT) From: "T. Daniel Crawford" X-Sender: To: Subject: Re: Good review on molecular integrals using Gaussians? In-Reply-To: <3B093AED.F85B4B34@wag.caltech.edu> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII On Mon, 21 May 2001, Richard P. Muller wrote: > Can anyone recommend a good review article on the different techniques > for evaluating molecular integrals using Gaussian basis functions? I > have many different papers on the topic. However, I'm sure that someone > has written a scholarly review of the literature that might point me to > techniques I've missed. > > Thanks in advance for any help you can provide. > > Rick > Here are two very good ones. I hope they're as up-to-date as you need. "Gaussian Basis Sets and Molecular Integrals" by Trygve Helgaker and Peter Taylor in Modern Electronic Structure Theory Part II, edited by David Yarkony and published by World Scientific, 1995. "Molecular integrals over gaussian basis functions," by Peter Gill in Adv. Quantum Chem. Vol. 25, 141-205 (1994). -Daniel -- T. Daniel Crawford Department of Chemistry crawdad@vt.edu Virginia Tech www.chem.vt.edu/chem-dept/crawford Voice: 540-231-7760 FAX: 540-231-3255 -------------------- PGP Public Key at: http://www.chem.vt.edu/chem-dept/crawford/publickey.txt From chemistry-request@server.ccl.net Mon May 21 12:58:09 2001 Received: from localhost.localdomain ([141.250.13.14]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f4LGw7I27441 for ; Mon, 21 May 2001 12:58:08 -0400 Received: (from mirco@localhost) by localhost.localdomain (8.11.0/8.11.0) id f4LGwIg00944 for CHEMISTRY@ccl.net; Mon, 21 May 2001 18:58:18 +0200 Date: Mon, 21 May 2001 18:58:17 +0200 From: Mirco Meniconi To: CHEMISTRY@ccl.net Subject: parameters for non standard aminoacids Message-ID: <20010521185817.A940@cost> Reply-To: mirco.me@inwind.it Mime-Version: 1.0 Content-Type: text/plain; charset=iso-8859-1 Content-Disposition: inline Content-Transfer-Encoding: 8bit User-Agent: Mutt/1.2.5i Dear CCL users I'm looking for parameters for non standard aminoacids to be used in molecular dynamic study. Does anybody know if there parameters are available P.S. I can use charmm amber or oplsaa force fields -- ************************************* Dr. Mirco Meniconi Dip. chimica e tecnologia del farmaco Universitŕ di Perugia e-mail: mirco.me@inwind.it Tel: 0328/9526589 ************************************* From chemistry-request@server.ccl.net Mon May 21 16:07:05 2001 Received: from mailrelay2.lrz-muenchen.de ([129.187.254.102]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f4LK74I31597 for ; Mon, 21 May 2001 16:07:04 -0400 Received: from [129.187.26.76] by mailout.lrz-muenchen.de with ESMTP; Mon, 21 May 2001 22:06:49 +0200 Sender: Eugene.Leitl@lrz.uni-muenchen.de Message-Id: <3B099081.4D5DE8FE@lrz.uni-muenchen.de> Date: Tue, 22 May 2001 00:02:41 +0200 From: Eugene.Leitl@lrz.uni-muenchen.de X-Mailer: Mozilla 4.75 [en] (X11; U; Linux 2.2.17-21mdksecure i586) X-Accept-Language: en, de-DE, ru MIME-Version: 1.0 To: chemistry@ccl.net Subject: [Fwd: RE: AMD Supercomputer News Release] Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit The usual disclaimer about nonaffiliation does apply. -------- Original Message -------- From: todd.burch@amd.com Subject: RE: AMD Supercomputer News Release To: dvos12@calvin.edu, beowulf@beowulf.org Please forward all inquiries to me, as I can help refer them to an AMD field sales rep in their respective area. Regards, Todd R. Burch AMD Public Relations -----Original Message----- From: David Vos [mailto:dvos12@calvin.edu] Sent: Thursday, May 17, 2001 12:00 PM To: Burch, Todd Subject: Re: AMD Supercomputer News Release Someone posted a link to this onto beowulf@beowulf.org, and I made some mention about how AMD even got involved in our small cluster. I imediately have received a number of emails asking questions. It might be nice for you or someone at AMD to post a message to beowulf@beowulf.org telling people who to contact at your company about building Athlon clusters. One person who emailed me said something about 120+ node installations, so I think this might be worth your time. David On Thu, 17 May 2001 todd.burch@amd.com wrote: > > The following news release crossed Business Wire Thursday, May 17, 2001 at > 12:01 AM EDT. > -------------------------------------------------------- > > Contact: > Todd Burch > AMD Public Relations > (408) 749-4581 > todd.burch@amd.com > or > Scott Carroll > AMD Public Relations > (512) 602-8483 > scott.carroll@amd.com > > > > > AMD ATHLON(tm) PROCESSOR GAINING GLOBAL RECOGNITION AS SUPERCOMPUTING > SUPERSTAR > > > - NASA, National Science Foundation-funded university research programs in > the U.S., universities in Hong Kong and Japan employ AMD Athlon(tm) > processor-based supercomputers - > > SUNNYVALE, CA -MAY 17, 2001-AMD today announced that five more academic > institutions have each installed new supercomputers using the award-winning > AMD AthlonTM processor. Cited for their powerful performance, scalability, > and flexibility to expand in a cluster environment, a series of AMD Athlon > processor-based supercomputers have been employed for research programs at > the Hong Kong University of Science & Technology, the Tokyo Institute of > Technology, a National Aeronautics and Space Administration (NASA) funded > program at the University of California at Santa Cruz (UCSC), as well as > National Science Foundation (NSF) funded programs at Western Michigan > University and Calvin College. These wins demonstrate how the AMD Athlon > processor is continuing to expand its reputation as a powerful, innovative > and reliable solution for supercomputing platforms used for scientific > research. > > "This once again proves our AMD Athlon processor is a great choice for > cutting-edge computer platforms targeted for computation-intensive > applications created by academic researchers," said Ed Ellett, > vice-president of Workstation and Server Marketing for AMD. "As the need > for increased performance and bandwidth continues, we are committed to > developing more powerful processors to meet that challenge. We eagerly look > forward to supporting critical research projects with leading academic > institutions around the world." > > The Hong Kong University of Science & Technology, one of the most > prestigious higher education institutions in Hong Kong, has developed a > supercomputer featuring 80 AMD Athlon processors. > > "This AMD processor-based cluster provides a powerful tool for the > advancement of scientific research," says Associate Professor P W Leung of > HKUST's Physics Department. "We can perform realistic simulations, design > advanced composite materials through accurate modeling, and also tackle the > most challenging problems in modern material physics involving complex > materials where the electronic states are strongly correlated." > > The Tokyo Institute of Technology, one of the most prestigious higher > education institutions in Japan, has built the PRESTO III, a 78 AMD Athlon > processor-based cluster that will be employed at the Matsuoka Laboratory of > the Global Scientific Information and Computing Center & Department of > Mathematical and Computing Sciences. > > "The objective of the PRESTO series of Grid clusters project is to enable > cost-effective solutions to empower the computational Grid, investigate > effective software used for commodity clustering, and conduct simulation and > application studies on the Grid for various scientific applications such as > operations research, high energy physics, and neuroscience," said Professor > Satoshi Matsuoka of the Tokyo Institute of Technology. "We want to thank > the sponsors of Japan's national PRESTO program of the Japan Science and > Technology Corporation (JST), and AMD for its processor technology." > > The National Aeronautics and Space Administration (NASA) has helped fund a > 32 AMD Athlon processor-based cluster node supercomputer located at UCSC. > The UCSC supercomputer, developed and built by Racksaver, Inc. through the > assistance of Dolphin Interconnect, will be used to study collisional > processes in the solar system, and run simulations of planetary dynamos, > such as the one responsible for Earth's magnetic field. > > "The university's Earth Sciences, Astronomy and Physics departments now have > the ability to solve complex research problems 24 hours a day, seven days a > week on our own local research cluster," said Erik Asphaug, UCSC principal > investigator of the new 32-node research supercomputer. "Also, we can now > create, archive, and visualize our data locally, and this removes the data > bottlenecks and enhances our student's educational environment." > > Another 32-node supercomputer has been installed at the ParInt Research > Group at Western Michigan University under an NSF-funded grant. "Very early > on in our purchasing decision process we decided to go with AMD Athlon > processors, for their performance and pricing, and we have not been > disappointed," said Elise de Doncker, Professor in the Computer Science > department at Western Michigan University. "The cluster has been very > reliable and invaluable to our research efforts in parallel numerical > integration, and for class projects in various advanced computer science > courses." > "The Department of Computer Science at Calvin College is committed to > providing its students with hands-on experience using cutting-edge > technologies, including high performance computing," said Joel Adams, > Professor of Computer Science, Calvin College in Grand Rapids, Michigan, the > location of an 18 AMD Athlon processor-based cluster. "The cluster will > also greatly benefit our faculty researchers in their individual research > programs. We are grateful to the National Science Foundation, NFP > Enterprises, and AMD for their help in making this a successful project." > > This trend follows AMD Athlon processor-based supercomputers already > installed in the University of Delaware, the University of Kentucky, and the > University of Utah, and reflects a growing number of universities obtaining > and benefiting from the use of powerful supercomputer systems based on AMD > processor technology. Each of these systems employ the Beowulf Cluster > design architecture, which involves connecting each processor in parallel to > maximize speed and processing power while providing inter-communications > between the processors and compute nodes, and use a Linux-based operating > system. > > About AMD > > AMD is a global supplier of integrated circuits for the personal and > networked computer and communications markets with manufacturing facilities > in the United States, Europe, Japan, and Asia. AMD, a Fortune 500 and > Standard & Poor's 500 company, produces microprocessors, flash memory > devices, and support circuitry for communications and networking > applications. Founded in 1969 and based in Sunnyvale, California, AMD had > revenues of US$4.6 billion in 2000. (NYSE: AMD). > > Visit AMD on the Web > > For more news and product information, please visit our virtual pressroom at > . Additional press > releases are available at > > -30- > > AMD, the AMD logo, AMD Athlon, and combinations thereof, are trademarks of > Advanced Micro Devices, Inc. Other product names are for informational > purposes only and may be trademarks of their respective companies. > _______________________________________________ Beowulf mailing list, Beowulf@beowulf.org To change your subscription (digest mode or unsubscribe) visit http://www.beowulf.org/mailman/listinfo/beowulf From chemistry-request@server.ccl.net Mon May 21 16:29:05 2001 Received: from ce.fis.unam.mx ([132.248.33.1]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f4LKT2I32241 for ; Mon, 21 May 2001 16:29:03 -0400 Received: from correo.fc.uaem.mx (garaged.fis.unam.mx [132.248.33.226]) by ce.fis.unam.mx (8.9.3/8.9.3) with ESMTP id PAA06949 for ; Mon, 21 May 2001 15:21:42 -0700 (PDT) Sender: max@ce.fis.unam.mx Message-ID: <3A9EC07B.83603215@correo.fc.uaem.mx> Date: Thu, 01 Mar 2001 15:34:51 -0600 From: Max =?iso-8859-1?Q?Vald=E9z?= X-Mailer: Mozilla 4.77 [es] (X11; U; Linux 2.4.2-2smp i686) X-Accept-Language: en MIME-Version: 1.0 To: chemistry@ccl.net Subject: g98R7 Slow running on kernel 2.4 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hi dear CCL`rs I found myself having an ratter strange problem with g98 rev 7 in RedHat 7.1 (Kernel 2.4). I ran a couple of jobs that were supposed to finish in 90 minutes, and none of them was finished by monday. I think it's a problem with my new kernel, I didn't recompile ( we don't have a PGI license), just upgraded the kernel. Something strange is that I recall a message claiming a 20% of upspeeding just due to 2.4 kernel. Would it be a problem with the kernel, or any other idea?? Anyone else with that problem? I will thank any comments Best wishes Max