[Wien] re:error in lapw1(allocate error)

[Torsten Andersen]

Dear Kong Shi,

It is recommended to "upgrade" to 5200-03 (04 is too unstable to my 
taste, as is 01 if you also use the computer for other programs than 
WIEN). If you are managing the system yourself, go to 
http://www-912.ibm.com/eserver/support/fixes/fcgui.jsp , where you are 
guided through... select maintenance levels and from 01 to 03.

-q32 would conflict with the number of plane waves, I think... try -q64, 
since your system IS a 64-bit system. You can change the bootinfo 
somewhere in the system setup, but I don't remember where. Independently 
of what bootinfo gives you, 64-bit objects should run without problems 
and with better performance than 32-bit objects.

Of course I would recommend you to try compiling with -q64 (both in the 
compiler options AND the linker options, otherwise the linker will give 
you problems) before updating the operating system.

I hope this can solve your problem. You should also (when you get it 
running) monitor the <case>.scf file to see if NMATMAX is big enough.

Best regards,
Torsten Andersen.


Kong shi wrote:
> Torsten Andersen:
>      My answer to your question:
> 1.         oslevel ¨Cr   is 5200-01.  It maybe old.
> 2.         I compiled my program linked with q32 because I get from 
> ¡°bootinfo ¨CK¡± is 32
> 3.         NMATMAX=10000
> 4.         299935 PLANE WAVES GENERATED
> Wish this information can help you solve my problems.
> Thank you in advance.
>
> Best wishes,
> Kong shi  

-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/

Symposium on Excited-state properties of solids, Mannheim 2005:
See: http://cmt.physik.uni-kl.de/XSM05/