[Wien] Error in First SCF cycle

Gavin Abo gsabo at crimson.ua.edu
Fri Jan 26 14:01:03 CET 2018


If you're still using some version of composer 2017 as was mentioned 
previously [1], the "input statement requires too much data" error might 
be due the Intel compiler version that you are using. You might try 
googling or searching the Intel forum as that seems to be a known issue 
with some of their recent 2016, 2017, and 2018 compilers [2,3,4].

[1] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17002.html
[2] 
https://software.intel.com/en-us/forums/intel-fortran-compiler-for-linux-and-mac-os-x/topic/703458
[3] 
https://software.intel.com/en-us/forums/intel-fortran-compiler-for-linux-and-mac-os-x/topic/640311
[4] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16802.html

On 1/25/2018 8:37 AM, mostefa djermouni wrote:
> Dear Peter BLAHA and WIEN2K users,
>
> I have 80-atoms calculation and after the first cycle of SCF, I got 
> this error :
>
>  LAPW0 END
>  LAPW1 END
>  LAPW1 END
> forrtl: severe (67): input statement requires too much data, unit 10, 
> file /home/mostefa/WIEN2k/NOURIA/PFN_17.1/PFN_SCF/PFN/./PFN.vectorup
> Image              PC                Routine Line        Source
> lapw2c             0000000000553413  Unknown Unknown  Unknown
> lapw2c             000000000057A71E  Unknown Unknown  Unknown
> lapw2c             0000000000577E2E  Unknown Unknown  Unknown
> lapw2c             0000000000463276 read_vec_                 164  
> read_vec_tmp_.F
> lapw2c             000000000043ED1B l2main_                   663  
> l2main_tmp_.F
> lapw2c             0000000000456CED MAIN__                    718  
> lapw2_tmp_.F
> lapw2c             00000000004037DE  Unknown Unknown  Unknown
> libc-2.24.so       00002B65F6AED2B1  __libc_start_main Unknown  Unknown
> lapw2c             00000000004036AA  Unknown Unknown  Unknown
>
>
> Thanks in advance.
>
> -------------------------------------------------------
> Dr. Mostefa DJERMOUNI
> Laboratoire de Physique Computationnelle des Matériaux -LPCM-
> Université Djilali Liabès de Sidi Bel-Abbès 22000 Sidi Bel-Abbès, Algérie
> Tél: +213 795 626 105
> -------------------------------------------------------
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