Subject: New parallel platform for Computational Chemistry

From: Reuven Bakalash <[email-masked]>
Date: Tue, 31 Oct 95 17:27:15 0200

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> David Hoekman
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TR2000 - A new powerful computing resource for CC
-------------------------------------------------
___________________________________________________________
| * Significant time reduction in long computational tasks|
| * A fraction of cost of comparable systems		  |
| * Full range of Software tools			  |
| * A personal computing resource			  |
-----------------------------------------------------------

TR2000 is a desk side parallel computing resource with UNIX front end.
4 to 32 Alpha processors with distributed memory (up to 64MB each).
The TR2000 architecture offers a peak performance of 2.5 GFLOPS for 
Alpha 24064-150 MHz, and 5 GFLOPS for Alpha 24064-275 MHz. 
The performance scales linearly with each additional processor. 

TR2000 provides parallel applications in computational chemistry, such as 
Molecular Dynamics, Lattice Field Theory, Monte Carlo etc.
It also provides libraries for porting serial packages.

For Molecular Modeling it runs MOIL and CHARMMm23 with exceptional results.
Here are comparative figures of leading computers running MbCO + 3830 
water molecules (total 14026 atoms), 12-14A shift using FAST option in
CHARMm23. All indicated times are in hours (run times are provided
by M. Hadocek, NIH):

COMP. SYS.	# PROC.		RUN TIME
----------      -------         --------  
SGI/Indy	1		8.93
SGI/Pwr.Indigo2	1		2.93
IBM/SP2		16		0.28
Cray T3D	16		0.77
SGI/PChallenge	16		0.21
TR2000		16		0.65

Status: Two beta-sites are installed at :
      *	Hebrew University, Jerusalem,  Ron Alber - since 9/95 
      *	Mount Sinai Medical Center, NY, Harel Weinstein - since 10/95

Prof. Ron Elber recommends(29/10/195):

"  The Terra-2000 super-workstation gave a significant boost to our 
abillities to pursue lengthy, numerically intensive calculations.
The Terra-2000 - a parallel computer with 16 alpha 150 MHz processors,
is employed in our laboratory as a "real" parallel computer running 
a single task. It is also employed as a cluster of workstations running
the same program with different inputs.In both modes, the new  
computer provides unprecent performance in the workstation area. It makes
it possible for us to pursue new calculations with significantly more 
statistics or simulations of larger systems."

Contact: [email-masked]