[Wien] LAPW0 error

Jameson Maibam j.maibam_official at yahoo.com
Mon Jan 28 09:23:11 CET 2013


Dar Gavin, would you please tell me how to apply the fftpack patch.

Yours sincerely
Jameson Maibam
 

________________________________
 From: Gavin Abo <gsabo at crimson.ua.edu>
To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> 
Sent: Monday, 28 January 2013 1:40 PM
Subject: Re: [Wien] LAPW0 error
  

It looks like you are using the fftpack in Wien2k 12.1.  Set your compile options to use fftw3 instead (or apply the fftpack patch).  Search the mailing list archive about the problem.

On 1/28/2013 1:00 AM, Jameson Maibam wrote:
 
 
>Dear support, 
>I tried to calculate the mBJ potential for GaAs in in zinc-blende structure. I got the following error msg in LAPW0 
>
>hup: Command not found. 
>LAPW0 END 
>forrtl: severe (174): SIGSEGV, segmentation fault occurred 
>Image PC Routine Line Source 
>lapw0 0804BA12 c3fft_1_ 119 fftpack_helpers.f 
>lapw0 080568AF fftpack_mp_c3fft_ 397 fft_modules.F 
>lapw0 080BECEF vresp_ 106 vresp.F 
>lapw0 080D1E6C xcpot3_ 147 xcpot3.F 
>lapw0 080A09A6 MAIN__ 1935 lapw0.F 
>lapw0 0804A4E4 Unknown Unknown Unknown 
>libc.so.6 400A24D3 Unknown Unknown Unknown 
>> stop error Help required.  
>
>Yours sincerely 
>Jameson Maibam   
 
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