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From: frisch@lorentzian.com (Mike Frisch)
Message-Id: <199707111408.KAA11011@holly>
Subject: Re: CCL:G:G:Gaussian on a Mac ? ---Or Other Platforms
To: chemistry@ccl.net
Date: Fri, 11 Jul 1997 10:08:16 -0400 (EDT)
In-Reply-To: <199707102154.RAA07432@helix.nih.gov> from "M. Nicklaus" at Jul 10, 97 05:54:37 pm
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M. Nicklaus writes:
> 
> Hi,
> 
> On Thu, 10 Jul 97, "Frederick R. Bennett" <bennett@TheOffice.net wrote:
> 
> >  I know that Gaussian Inc. hates this sort of thing but I will ask anyway. I
> > am wondering whether anyone has G94 running on a PowerMac running one of the
> > Linux operating systems (MKLinux or the non-Micro Kernal).
> > 
> >  Just as a matter of opinion, I think that Gaussian Inc. should seriously
> > consider supporting this platform, as they do the various Unices running on
> > Intel machines. The motorola PowerPC chips are leaving Intel Pentiums for
> > dead at the moment and with the new generation motorola chips on the way
> > out, fast system buses and new cacheing technology, Mac's or Mac clones
> > should/can provide the hardware for some high power/cost ratio workstations
> > for chemistry.
> 
> Since this can has been opened, let me chip in with a remark and a question.
> 
> 1. I agree with Frederick R. Bennett in that Gaussian Inc. should support
> more of the new fast, and *cheap*, platforms such as PowerPC systems 
> running Linux.  I'd like to expand this request to include Alpha CPU systems
> running axp Linux.  These chips are even faster than the PowerPC's.  We've
> benchmarked them with other software.  500 MHz machines (non-DEC) can be had 
> for $5,000-6,000.  The 600 MHz 21164 chip based systems are basically shipping 
> (albeit expensive, ~$11k), and the 800 MHz CPUs are in the pipeline.
> 

We at Gaussian, Inc. agree with this, but in practice it requires a reliable
operating system, and this is definately not the case for Linux/Alpha, and
is questionable for Linux/PPC.

> 2. We've tried to compile G94, Rev. E.1 for such a 21164 500 MHz Alpha based
> system, running RedHat Linux 4.1, kernel v. 2.0.27 --- unfortunately, 
> unsuccessfully so far.  We've experienced problems with f2c, gcc, as well as
> the linker.  So therefore my question: Has anyone been able to get G94 to
> run on this platform?  If yes, how?
> 

We have an Alphax/Linux machine in house but Linux for Alpha has turned out
to be very, very far from the stable environment Linux is for Intel machines.
For example, there are well-documented and very serious problems linking
large programs which have not yet been resolved.  Anyone interested can
subscribe to the Linux/Alpha mailing list and receive a dozen or so examples
PER DAY of things that work under Linux/Intel but not under Linux/Alpha.  

When Linux is actually stable for production use on processors other than
Intel, we certainly intend to support Gaussian there.

Mike Frisch
Gaussian, Inc.


