Subject: CCL:summary for Optimal Spec for Molecular Modelling

From: Chai Chong Chul <[email-masked]>
Date: Tue, 2 Apr 1996 21:47:34 +0900 (KST)

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Date: Mon, 1 Apr 1996 8:06:00 -0500
From: "Tom.Huff" <[email-masked]>
Subject: SGI Machines
     
     We are in the process of obtaining some new workstations at Owens 
     Corning and we are going with the configuration recommended by your 
     SGI representative, that is Mips 10k chips, Solid IMPACT Graphics, 128 
     MB RAM and 4GB Hard Disk.
     
     The R4400 chips are older and slower than the R10000 chips.  The 
     standard Spec Integer and Floating Point benchmark tests have just 
     changed so there is not a one to one comparison between the R4400 and 
     R10000 chips.  However, based upon my reading about the Spec 
     benchmarks, I expect that the first R10000 chips will be 2 to 3 times 
     faster than the fastest R4400 chips available.  I have heard from SGI 
     that they have seen speed ups in that range for some computational 
     chemistry programs that they have run in their testing.  The speed 
     increase depends upon the specific type of modeling work that you are 
     doing.
     
     We use Cerius 2 from MSI and are concerned about immediate 
     compatibility.  I have not yet been able to get a firm response from 
     MSI with regard to compatibility with the IRIX 6.2 operating system 
     which will be on the R10000 chips.  I know compatibility testing has 
     been performed.  It is SGI's intent to have binary compatibility 
     between IRIX 6.1 (current operating system) and IRIX 6.2 for all major 
     programs.  Since computational chemistry is a major market for SGI, I 
     am sure they are doing the best they can to insure compatibility.  The 
     worst situation would be to wait for the next release of Cerius 2 
     which MSI has assured us will definitely be compatible with IRIX 6.2
     
     I hope this helps.

     Tom Huff
     [email-masked]

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Date: Sun, 31 Mar 1996 09:41:09 -0800 (PST)
To: [email-masked]
Subject: Re:  CCL:[Q] Optimal Spec for Molecular Modelling.

	 And they suggested new model with Mips R10k chips, Solid IMPACT
	 GraphicsCards, 128M RAM, and  4G Hard DISK. 

unless you are using high-end graphics, the
solid impact may be overkill - I would ask
the providers of your graphics programs. E.g.
if most of what you look at is wire frame
models of molecules, fast texture mapping
(the solid impact feature) is wasted.

	 But, because we have extra money , We are considering to buy 
	 another machine, which is Mips R4400 chips, Solid IMPACT GRAPHICS 
	 Cards, 128M RAM, and 4G Hard DISK.

If you expect to do much scientific calculation
(as opposed to mainly graphics), the R4400 is
a waste compared to r10000. 

An r8000 is 1/2 the speed of a C90 processor for 
molecular mechanics, I expect an r4400/250MHz
would be about 1/2 the speed of the r8000, and
the r10000 might be as much as twice the r8000.
See the benchmarks on http://www.amber.ucsf.edu/amber/

Bill Ross

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>>> That's All... 
  Have you any other Information ? 
  Good Luck!!!

-- 
____________________________________________________________________________
 ___  ___
 | |  // A I S T   Chong Chul Chai(e-mail:[email-masked])
 | |-//  1 9 9 5   Department of Chemistry and Center for Molecular Science.
 | |-\\            Korea Adv. Inst. of Sci. & Tech., Tel: 042-869-2853.
 | |  \\           373-1, Kusungdong, Yusungku, Taejon, 305-701 Korea.
 ---  ---          alcohol in ara,csqueen,kids bbs
                   http://muse.kaist.ac.kr/~ccchai
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