[Wien] Re: Jumps in energy

[Steven Homolya]

On Thu, 17 Jul 2003, Lyudmila Dobysheva wrote:

> Dear Steven,
> 
> Have you find a reason of the sudden jumps in energy about which you 
> complained in June? I haven't seen a continuation in your letters after
> the letter of P.Blaha when he suggested you to send him the scf and other
> files. What was the end of this thrilling problem?  I have met similar
> behavior and now try to understand it.
> 

Yes, we have found the (most likely) cause. It was the network file system
(NFS) choking. Some output files were not complete because the NFS would
hang on some of the wien2k I/O. I have run a number of (10+) large  
calculations since using local filesystems only and have not encountered
the problem.

If you're using one of the parallel versions of wien** and are using NFS, 
you might be having the same problem.

Steve

-- 
Steven Homolya
School of Physics and Materials Engineering
Monash University, VIC 3800
Australia
Tel: +61 3 9905 3694
Fax: +61 3 9905 3637