[Wien] error in lapw2 - parallel
    Lyudmila Dobysheva 
    lyuka17 at mail.ru
       
    Fri Mar 22 16:18:55 CET 2013
    
    
  
22.03.2013 13:38, Mathrubutham Rajagopalan wrote:
> There is no scf1 and output1 files after running lapw1
This means that lapw1 already does not work.
So, again,
1. Check the file in directory  /home/raja/wien2k/ parallel_options
there should be like:
setenv USE_REMOTE 0
setenv MPI_REMOTE 0
setenv WIEN_GRANULARITY 1
Send us what is this file in your case
>     1. Make a fresh directory.
>     2. Make in terminal the commands by hand
>     x lapw0
>     x lapw1 -c -p
>     and send us the output in terminal and error files if nonzero
>     3.Look at output of lapw0, error file of lapw0 and send us if it is under 
question.
Best wishes
   Lyudmila Dobysheva
------------------------------------------------------------------
Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci.
426001 Izhevsk, ul.Kirova 132
RUSSIA
------------------------------------------------------------------
Tel.:7(3412) 442118 (home), 218988(office), 722529(Fax)
E-mail: lyu at ftiudm.ru
         lyuka17 at mail.ru (office) lyuka17 at gmail.com (home)
Skype:  lyuka17 (home), lyuka18 (office)
http://fti.udm.ru/content/view/25/103/lang,english/
------------------------------------------------------------------
    
    
More information about the Wien
mailing list