Charlie Peck wrote:
On Mar 5, 2007, at 10:43 PM, Chris Samuel wrote:

So yes, NFS should be fine.  Just don't try and run Gaussian on it. :-)

Ok, I'll bite. We're just starting to support Gaussian on a couple of small clusters (32 and 64 cores respectively) and we don't have a lot of experience with it. It looks like there are 3 primary directories, the software root, the tmp dir, and the molecular system/output files. Which subset of these shouldn't be accessed via NFS?

Charlie:

Depending upon which links are run, Gaussian can do a fairly good job of consuming all your I/O bandwidth, and then some. Not all links are like this, the DFT links seem to be non-IO bound. As soon as you start spilling integrals to disk, you will see what we mean.

Joe


thanks,
charlie

Charlie Peck
Computer Science, Earlham College
http://cs.earlham.edu
hhtp://cluster.earlham.edu
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