Gaussian 98

[David Vos]

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.

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?

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