From ccl@www.ccl.net Fri Oct 25 08:32:09 1996 Received: from bedrock.ccl.net for ccl@www.ccl.net by www.ccl.net (8.8.0/950822.1) id IAA00579; Fri, 25 Oct 1996 08:19:30 -0400 (EDT) Received: from ns1.DKFZ-Heidelberg.de for tajkhors@mbp-sgi7.inet.dkfz-heidelberg.de by bedrock.ccl.net (8.8.0/950822.1) id IAA07658; Fri, 25 Oct 1996 08:19:17 -0400 (EDT) Received: from mbp-sgi7.inet.dkfz-heidelberg.de (mbp-sgi7.inet.dkfz-heidelberg.de [193.174.48.96]) by ns1.DKFZ-Heidelberg.de (8.7.3/DKFZ-8.6.4) with ESMTP id OAA29449 for ; Fri, 25 Oct 1996 14:14:50 +0200 (MET DST) Received: (tajkhors@localhost) by mbp-sgi7.inet.dkfz-heidelberg.de (940816.SGI.8.6.9/DKFZ-8.6.4) id OAA11220 for chemistry@ccl.net; Fri, 25 Oct 1996 14:17:26 +0100 From: "Emadeddin Tajkhorshid" Message-Id: <9610251417.ZM11218@mbp-sgi7.inet.dkfz-heidelberg.de> Date: Fri, 25 Oct 1996 14:17:24 +0100 Reply-To: E.Tajkhorshid@DKFZ-Heidelberg.de X-Mailer: Z-Mail (3.2.0 26oct94 MediaMail) To: chemistry@ccl.net (Computational Chemistry List) Subject: Quantom Chemical Molecular Dynamics Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Hi Netters I want to know if there is any program applying semiempirical and/or ab initio quantom chemical calculation in molecular dynamics simulation. Any related information and comments is highly appreciated. Thanx in advance. -- Emad ********************************************************************* E. Tajkhorshid German Cancer Research Center; DKFZ Tel: +49 6221 42 2339 Dept. Molecular Biophysics (0810) FAX: +49 6221 42 2333 P.O.Box 101949 Email: E.Tajkhorshid@DKFZ-Heidelberg.DE 69009 Heidelberg, FRG *********************************************************************** * A friend may well be reckoned a masterpiece of the nature (Emerson) * *********************************************************************** From ccl@www.ccl.net Fri Oct 25 17:47:31 1996 Received: from bedrock.ccl.net for ccl@www.ccl.net by www.ccl.net (8.8.0/950822.1) id RAA03854; Fri, 25 Oct 1996 17:24:25 -0400 (EDT) Received: from gardel.psc.edu for mmadrid@psc.edu by bedrock.ccl.net (8.8.0/950822.1) id RAA05395; Fri, 25 Oct 1996 17:24:22 -0400 (EDT) Received: (from mmadrid@localhost) by gardel.psc.edu (8.7.4/8.7.3 PSC 1996/02/27 lambert) id RAA08745 for chemistry@ccl.net; Fri, 25 Oct 1996 17:23:51 -0400 (EDT) From: "Marcela Madrid" Message-Id: <9610251723.ZM8743@gardel.psc.edu> Date: Fri, 25 Oct 1996 17:23:50 -0400 X-Mailer: Z-Mail (3.2.2 10apr95 MediaMail) To: chemistry@ccl.net Subject: CCL: Message Passing and Distributed Computing Workshop Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii MESSAGE PASSING AND DISTRIBUTED COMPUTING WORKSHOP November 11-14, 1996 Pittsburgh Supercomputing Center 4400 Fifth Avenue Pittsburgh, PA 15213 -------------------------------------------------------------------------------- The Pittsburgh Supercomputing Center invites you to apply for our Message Passing and Distributed Computing Workshop to be held November 11-14, 1996. The purpose of this workshop is to familiarize researchers and programmers with the use of message passing to run parallel code on a cluster of homogeneous or heterogeneous machines. The goal is for a new user to successfully develop basic codes using message passing. There will be extensive talks and hands-on exercises on the Message Passing Interface (MPI). Participants must have prior experience with Fortran or C and with the UNIX operating system. Admission is free to the academic community. Interested corporate and government applicants should contact the PSC corporate liaison at (412) 268-4960 for information on attendance fees. Housing and travel are the responsibility of participants, but we will assist you in making reservations. Group rates on hotel accommodations are available on a first-come, first-served basis. To register, please complete and return the application form below by October 31, 1996 to: Workshop Application Committee, ATTN: Dr. Marcela Madrid, Pittsburgh Supercomputing Center, 4400 Fifth Avenue, Pittsburgh, PA 15213. You may also e-mail the form below to workshop@psc.edu or fax it to (412/268-5832. More information about PSC's educational and training efforts can be found at http://www.psc.edu/general/education/education.html ****************************************************************************** MESSAGE PASSING AND DISTRIBUTED COMPUTING WORKSHOP Nov. 11-14, 1996 APPLICATION FORM Name:___________________________________________________________________________ Department:_____________________________________________________________________ Univ/Ind/Gov Affiliation:_______________________________________________________ Address:________________________________________________________________________ ________________________________________________________________________________ Telephone:______________________________________________________________________ Electronic Mail Address:________________________________________________________ Social Security Number:__________________________ Citizenship:__________________ Are you a PSC User?____________________ If yes, username:_______________________ Academic Standing:_____________ F - Faculty UG - Undergraduate I - Industrial PD - Postdoctorate UR - University Research Staff GV - Government GS - Graduate Student UN - Univerisity Non-Research Staff O - Other: Would you like assistance with arranging hotel accommodations?__________________ Briefly describe your computing background (scalar, vector, parallel, platforms, languages) and research interests. ________________________________________________________________________________ ________________________________________________________________________________