From owner-chemistry ":at:" ccl.net Thu May 25 15:48:00 2006
From: "Jim Kress ccl_nospam|kressworks.com" <owner-chemistry*|*server.ccl.net>
To: CCL
Subject: CCL:G: Compiling Gaussian to C code
Message-Id: <-31839-060524210911-13386-Uj266oTDbnzVBMa5T1DEyw*|*server.ccl.net>
X-Original-From: "Jim Kress" <ccl_nospam__kressworks.com>
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Date: Wed, 24 May 2006 21:08:05 -0400
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Sent to CCL by: "Jim Kress" [ccl_nospam[a]kressworks.com]

Be warned.  What you are attempting to do is probably a violation of your
Gaussian license.  Given their past history, they may take legal action
against you, rescind your license, or both.

Jim 

> -----Original Message-----
> From: Andrew D. Fant fanta/pobox.com [mailto:owner-chemistry_._ccl.net] 
> Sent: Wednesday, May 24, 2006 3:46 PM
> To: Kress, Jim 
> Subject: CCL:G: Compiling Gaussian to C code
> 
> Sent to CCL by: "Andrew D. Fant" [fant^^pobox.com] Lisa 
> Batsch lbatsch^-^gmail.com wrote:
> > Sent to CCL by: "Lisa  Batsch" [lbatsch[]gmail.com] Greetings!
> > 
> > I am trying to run Gaussian in a parallel platform 
> simulator to look at performance optimizations, but the 
> simulator libraries only work with C.
> > 
> > I am attempting to use F2C to compile the code to C and then run it 
> > and evaluate the output.  When I try to do this it fails 
> looking for a 
> > file f2c-dum.c
> > 
> > Does anyone have this file and/or iformation oabout what it 
> is needed for?
> > 
> Lisa,
>     I don't know about the f2c-dum.c file, but I don't think 
> you will get very far with using f2c as a substitute for a 
> tool that actually understands Fortran.
>    The c code that f2c generates is legal c, and will 
> compile, but it's not exactly idiomatic, and the 
> documentation, as I recall, discourages making changes to the 
> code in its c form.  It's something of a hack. that only 
> really understands strict ansi f77, to compile dusty deck 
> code on machines without
> Fortran compilers and not a full-scale migration tool.   I'm 
> not sure how well
> it would handle the memory overlays that Gaussian likes to 
> use either.   I don't
> mean to sound negative, but I wanted to warn you before you 
> possibly throw a lot of time away fighting your toolset.
> 
> HTH,
> 	Andy
> 
> -- 
> Andrew Fant    | And when the night is cloudy    | This space to let
> Molecular Geek | There is still a light          
> |----------------------
> fant%a%pobox.com | That shines on me               | 
> Disclaimer:  I don't
> Boston, MA     | Shine until tomorrow, Let it be | even speak 
> for myself
> 
> 
> 
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