Subject: Re: CCL:Question about gaussian installation

From: John Bushnell <bushnell-.at.-chem.ucsb.edu>
Date: Wed, 27 Aug 2003 14:38:06 -0700 (PDT)

We have g98 installed in /usr/local which is nfs mounted by all the
compute nodes.  Users use the local /scratch directory on the compute
nodes for the scratch files (the .inp, .d2e, .rwf and .scr files) and
checkpoint files.  So they have to copy over the checkpoint file after
the job completes if they need it.  The job output (.log file) is written
to their home directory (/home is also nfs mounted).  We haven't had any
noticeable problems, though if users run a lot of jobs that don't finish
normally, the scratch files collect on the compute nodes.  But they
aren't hard to clean out, and things haven't gotten out of hand with
a 32 node dual cpu cluster.  We haven't run Gaussian in parallel.  BTW,
we are using fast ethernet which has been fine running like this.

       HTH  -  John

On Wed, 27 Aug 2003, Aaron Russell wrote:

> Hello
> 
> Do you use Gaussian G98 and G03 on your cluster or do you know anyone
> who does?  I am trying to install Gaussian G98 and G03 and not having
> much success keeping it stable. I am looking to know how other people
> have installed Gaussian on a cluster and the special tricks they did
> to get it working. I am very interested in things like using are you
> using a stratch/ directory on the NFS file system or a stratch/
> directory on each compute node. Did you install Gaussian on each
> compute node? What version of Linux and kernal version are you using?
> Do you have any problems with Linda and running Gaussian in parallel?
> 
> Sincerely
> 
> Aaron Russell
> Research Technologist
> Mount Allison University 
> 67 York Street 
> Sackville, New Brunswick, Canada 
> E4L 1E6 
> Phone: (506) 364-2162 
> Fax: (506) 364-2313 
> E-mail: arussell-.at.-mta.ca