Gaussian 98

[Ben Cornett]

On Tue, May 29, 2001 at 03:55:09PM -0400, David Vos wrote:
> Some professors are interested in using Gaussian 98 on our Beowulf.  I'm
> researching to find out what would all be involved to get it working.  I
> remember people talking about this awhile back, but I think the discussion
> was during the time the archives weren't working, because I couldn't find
> much on them.
> 
> It is a 16 node Beowulf running Scyld 27BZ-7, and people will be viewing
> the results on windows machines.
> 
> 1. What kind of licensing is envolved?  Can we just get a site license for
> Gaussian 98 or do we also need to get a site license for GaussViewW
> also?  If we have to pay extra for GaussView W, then we might just use a
> free web interface being developed at Hope College.


You don't need GaussView to run Gaussian.  GaussView just gives you a nice way
of setting up jobs and visuallizing output.


> 
> Does the license for BLAS cost extra?
> 
> 2. What compilers are needed to use Gaussian 98?  www.gausian.com says
> that I need the Portland Group Fortran compiler.  Why? Would it not work
> with g77?
> 
> 3. What does it take to install it?  Do I just run make, or do I have to
> do something special to run on a Beowulf.  Is is an MPI app or something?

Gaussian uses the Linda parallel programming environment.  It's not an MPI app.

> 
> 4. Are there any web sites someone could point me to that deal with
> Gaussian 98 on a Beowulf?  I know that quite a few people have done this.
> 
> David
> 
> 
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