Subject: Re: G:Gaussian on a Mac ? ---Or Other Platforms

From: "M. Nicklaus" <[email-masked]>
Date: Thu, 10 Jul 1997 17:54:37 -0400 (EDT)

Hi,

On Thu, 10 Jul 97, "Frederick R. Bennett" <[email-masked] 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.

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?

I'll summarize for the list if I get useful responses.

Marc

------------------------------------------------------------------------
 Marc C. Nicklaus                        National Institutes of Health
 E-mail: [email-masked]               Bldg 37, Rm 5B29
 Phone:  (301) 402-3111                  BETHESDA, MD 20892-4255    USA
 Fax:    (301) 496-5839    http://www.nci.nih.gov/intra/lmch/MCNBIO.HTM
    Laboratory of Medicinal Chemistry, National Cancer Institute,  &
  Lab. of Structural Biology, Div. of Computer Research and Technology
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