CCL:G: Compiling Gaussian to C code

 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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