[Wien] Wien2k stops completely

[Lyudmila Dobysheva]

On Wednesday 15 March 2006 22:24, konior at if.uj.edu.pl wrote:
> 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. 

Dear Jerzy,

When I have read your letter I remember about a similar situation that I had 
once upon a time (letters of 30 Oct 1999 and 16 Nov 1999).
There was also some randomly repeating errors. I give a part of my letter, 
maybe it helps you:
"""""""""""""""""""""""""
I am almost sure that in my case it was connected with the free
space on the disk. I have such a configuration:
one mounted disk has the executables of WIEN package,
and on the second I am doing the calculations.
The command 'df' gives something like
/dev/hda7/   ......  /
/dev/hda6/   ......  /lyu/wien97/aa

In the first (hda7) in the directory /lyu/wien97  there are the
executables, and in the aa which is in fact an independently
mounted system the calculations are conducted.
Usually I didn't pay attention to the free space of the first.
But the program must have kept some temporary files in
the hda7. And if there is too little space it doesn't
say about this distinctly, and such diagnostics like
            'nmat too small****** '
or sometimes
            'do_us: off end of record
             apparent state: unit 10 named ./case.vector'
may appear. And this problem appears rather randomly which makes
it difficult to solve.

So, if you have a similar configuration of the system, do
pay attention that there be enouph free memory at the mounted system
with executables, not less than the biggest file, that is usually
the vector file. 
""""""""""""""""

Best wishes
  Lyudmila Dobysheva 
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