[Wien] Wien2k stops completely

[konior at if.uj.edu.pl]

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