[news.announce.conferences] Workshop on Vectorization of Computational Chemistry Programs

nu021172%ndsuvm1.bitnet@cunyvm.cuny.edu (Marty Hoag) (07/01/88)

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       *	    IBM 3090 VECTOR WORKSHOP		   *
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		  NORTH DAKOTA STATE UNIVERSITY

			       and

	       THE QUANTUM CHEMISTRY PROGRAM EXCHANGE

		      OF INDIANA UNIVERSITY

			    announces

	      THE JOINT WORKSHOP ON VECTORIZATION OF
		COMPUTATIONAL CHEMISTRY SOFTWARE
			August 1-4, 1988


     Since October 1, 1987, QCPE has been carrying out a project
to adapt 12 selected pieces of QCPE software for use on the IBM
3090 system with Vector Facility.  This project is under the
direction of Prof. E. R. Davidson.

     The Quantum Chemistry Applications that were selected are:

     Ampac		   Ext. Hueckel		   ECEPP/2
     Draw		   MM2			   BIGSTRN/3
     Density		   PCILO/3		   Dynamic NMR Anal.
     QCFF/PI		   PCK83		   Mopac

     Since December 1, 1987 North Dakota State University (NDSU)
has been likewise carrying out an effort to vectorize the GAMESS
application.  This effort has been under the direction of Drs.
Michael Schmidt and Mark Gordon.

     These groups are joining together in this workshop for the
purposes of reporting results achieved to date and to make public
the availability of this software.

This workshop will be held at the Doublewood Inn in Fargo,
North Dakota, August 1-4, 1988.

     There is no registration fee.  If you wish to attend this
workshop, please fill out and return the accompanying form by
June 30, 1988, to:

		  QCPE, Department of Chemistry
		  Indiana University
		  Bloomington, IN  47405
		  812-335-4784


Each participant will be responsible for making their own
motel reservations.  See attached sheet for details.

			     HOUSING

     All housing and workshop sessions will be held at the


		    Doublewood Inn
		    3333 13th Ave., South
		    Fargo, ND  58103


Call (800) 528-1234 or (701) 235-3333 in ND


     Each participant should make their own reservations and
mention this workshop to take advantage of the special rate.  The
rate is $35.00 per night (single) and $45.00 (double occupancy).

     The Doublewood Inn is located quite near to the Fargo
Airport.  A motel limousine is available on call or a taxi can be
used for a nominal amount.

     Housing reservations must be made no later than June 30,
1988.


		 QCPE JOINT VECTORIZATION WORKSHOP


	      NDSU - QCPE QUANTUM CHEMISTRY WORKSHOP
		  FARGO, AUGUST 1ST TO AUGUST 4TH


			  DAILY SCHEDULE

MONDAY, AUG. 1ST      6:30 -  8:30 PM	 Reception at Pool-Side

TUESDAY, AUG. 2ND     8:30 -  9:00 AM	 Coffee and Donuts
		      9:00 -  9:15 AM	 Introduction - Robert Koob
		      9:15 - 10:15	 Dr. Mike Schmidt - GAMESS
		     10:15 - 10:45 AM	 Coffee Break
		     10:45 - 12:00 PM	 Dr. Mark Gordon - GAMESS
		     12:00 -  1:30 PM	 Lunch
		      1:30 -  2:45 PM	 Dr. Kim Baldridge - GAMESS
		      2:45 -  3:15 PM	 Break
		      3:15 -  5:00 PM	 Dr. Bowen Liu - GAUSSIAN86

WEDNESDAY, AUG. 3RD   8:30 -  9:00 AM	 Coffee and Donuts
		      9:00 - 10:15 AM	 Richard Counts - QCPE Codes
		     10:15 - 10:45 AM	 Coffee Break
		     10:45 - 12:00 PM	 Dr. Ernest Davidson - QCPE Codes
		     12:00 -  1:30 PM	 Lunch
		      1:30 -  2:45 PM	 Dr. Ernest Davidson - QCPE Codes
		      2:45 -  3:15 PM	 Break
		      3:15 -  5:00 PM	 Dr. Angelo Rossi - MELD


THURSDAY, AUG. 4TH    8:30 -  9:00 AM	 Coffee and Donuts
		      9:00 - 10:15 AM	 Dr. Michel Dupuis - HONDO7
		     10:15 - 10:45 AM	 Coffee Break
		     10:45 - 12:00 PM	 Tour of NDSU Computer
					 Facility

		  QCPE JOINT VECTORIZATION WORKSHOP

			  August 1-4, 1988

			AT THE DOUBLEWOOD INN

			 FARGO, NORTH DAKOTA



I wish to attend the Workshop:


NAME	  ___________________________________________

ADDRESS	  ___________________________________________
	  ___________________________________________
	  ___________________________________________
	  ___________________________________________



 RETURN TO:	  QCPE, Department of Chemistry
		  Indiana University
		  Bloomington, IN  47405
		  812-335-4784


The Workshop will be completed by noon on August 4, 1988