[Wien] Wien2k stops completely

[jjlee_nsrrc]

Dear Dr. Konior



      I also encountered the same situation, most interesting part is, 
everytime the crash point is different. Once upon a time, the identiacl job 
can run more than 40 cycles, but most of time, only one cycle, then the 
computer is totally crashed. Until now, I do not know how can I deal with 
it. I also tried many different Linux system and compiler, but same 
situation.

ps, I use 2 X Xeon 3.2 CPU, 4 GB Priority check ram, mother board is TYAN 
S2676


Sincerely yours


jjlee



----- Original Message ----- 
From: <konior at if.uj.edu.pl>
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Sent: Thursday, March 16, 2006 2:24 AM
Subject: [Wien] Wien2k stops completely


> 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
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>