dvos12 at calvin.edu
Tue May 29 12:55:09 PDT 2001
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
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.
More information about the Beowulf