[Beowulf] Re:Gaussian in parallel (Geoff Galitz)

Donald Kinghorn kinghorn at pqs-chem.com
Thu Dec 2 12:06:40 EST 2004


OK, I'll concede that :-) I've done quite a few Gaussian installs for people, 
binary and source. It's true that I have never had one that didn't give me 
some kind of trouble (usually different trouble from the last install) 
However, I've always managed to get it working. The first thing I do now days 
is go in and change their install scripts because I don't use csh (and I 
don't see why anyone would  ...no flames please :-)

But, there are worse installs. I'm always stunned  when scientific code builds 
and installs  without a hitch.

Best wishes to all
-Don
  
> Donald Kinghorn <kinghorn at pqs-chem.com> writes:
> 
> > Compiling is sometimes a nuisance but no more than you'd expect for a huge 
> > program that is supported on so many platforms.
> 
> What? Are we talking about the same program here? I mean, a Makefile
> that promptly removes all produced *.o files, so that each time you
> run the build script (written in csh, for crissakes!) every source file
> must be recompiled?
> 
> Don't get me started, but
> 
>   http://deaddog.duch.udel.edu/~frey/research/gaussian.php
> 
> contains a good rant and instructions for working around some of the
> major braindead stuff.
> 
> -- 
> Leif Nixon                                    Systems expert
> ------------------------------------------------------------
> National Supercomputer Centre           Linkoping University
> ------------------------------------------------------------
-- 
Dr. Donald B. Kinghorn Parallel Quantum Solutions LLC
http://www.pqs-chem.com

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