[Wien] Wien2k stops completely

[EB Lombardi]

Dear Mr. Konior

This sounds like a hardware problem, since the different software setups 
you mentioned result in the same behaviour. Some test programs you can 
try are memtest86 (www.memtest86.org) and prime95 
(http://www.mersenne.org/freesoft.htm) - see also their Stress Testing 
comments included with the program for suggestions.

lapw1 generates a lot of heat - any sub-par components will fail here, 
especially with jobs that run longer and allow the machine to get hotter.

Regards

Enrico


konior at if.uj.edu.pl wrote:
> Dear Wien2k users,
>
> We installed Wien2k and run test for simple systems without any problem.
>
> Then, the trouble came when I started calculations for bigger systems, around 20 atoms par 
> unit cell or more. For some unknown reasons, the 'lapw1c' part either stops the whole 
> computer completely or sometimes makes the computer reset. Even more surprisingly, I 
> checked that running Wien2k with for the same system generally goes further (in time, but 
> not always till the end of the iteration) if simultaneously another program is running.
>
> The machine is 2 x Xeon 3.2 GHz with 8 GB RAM, plus the Mandriva Linux, the compiler is 
> Lahey Fortran 95 for Linux. Previously, with the Fedora Linux plus IFORT I found the same 
> behavior.
>
> I run Wien2k on many variations, on one, two, three, or four processors, alone or with some 
> other programs running. I suspect that probably our machine (memory, motherboard, 
> processor) has some failure, but how to prove it?
>
> Did anyone of you have similar problems? Any help or suggestions would be appreciated.
>
>
> Greetings,
>
> --
> Jerzy Konior
> Institute of Physics
> Jagellonian University
> Krakow, Poland
>
>
> Pozdrawiam,
>
> --
> Jerzy Konior
>
>
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>
>   

-- 
Dr. E.B. Lombardi
Physics Department
University of South Africa
P.O. Box 392
0003 UNISA
South Africa
Tel: +27 (0)12 429-8654 / 8027
Fax: +27 (0)12 429-3643
e-mail: lombaeb at science.unisa.ac.za