[Wien] Error in Calculation

Lyudmila Dobysheva lyuka17 at mail.ru
Thu Apr 4 16:14:48 CEST 2013


03.04.2013 17:42, vishal jain wrote:

Dear Vishal Jain,

> Error in run_lapw
 >...
 > nrl at nrl-desktop:~/WIEN/Vishal$ run_lapw
 > hup: Command not found.
 > /home/nrl/WIEN/lapw0: Command not found.
 >  >   stop error

All programs of initialization have worked, so, you have correctly 
written path to the WIEN executables. The program cannot find the lapw0 
program. Most probable that lapw0 was not created during compilation. 
Check in the directory  /WIEN/ if there is lapw0. If no, look in the 
subdirectory SRC_lapw0 error message in the compile.msg file and try to 
fix the problem with compilation.
Check also the correct compilation of other programs in the same way: 
lapw1, lapw2, lcore, mixer and so forth.

By the way, this stage looks unnecessary:
> nrl at nrl-desktop:~/WIEN/Vishal$ instgen_lapw
>   2 Atoms found: Ti C
>   An old Vishal.inst file has been found. Do you want to overwrite (y/n)
> y

Best wishes
   Lyudmila Dobysheva
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