abc at quux.chem.emory.edu
Tue May 29 19:00:19 PDT 2001
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.
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