[Wien] error 'n paralel lapw1

[Peter Blaha]

It is a bit hard to guess what could go wrong, since you are not telling 
us how you parallelize (how your .machines file looks)

Since you say:
a) for smaller systems it works
b) sometimes it works

it could be a memory problem. Try to use less k-parallel processes and 
while it is running, check with eg. "top" how much memory is used/free 
in the lapw1 step.


Am 2/3/21 um 11:03 AM schrieb Murat Aycibin:
> have been trying to run SCF of ZnO with Mg. I have built ZnO supercell
> and replace one Zn with Mg. after that, i have done initial calculation.
> everything is fine and no error. when i go for SCF i am getting below 
> error . I checked several times my inputs, everything looks like fine, 
> without supercell is working perfectly. And sometime with same set up it 
> is working also.
> 
> 
> 
> 
> aycibin at aycibin-CELSIUS-M740:/media/aycibin/depo/Wien2k/znom$ cat *.error
> Error in LAPW1
> Error in LAPW1
> Error in LAPW1
> Error in LAPW1
> Error in LAPW1
> Error in LAPW1
> Error in LAPW1
> Error in LAPW1
> Error in LAPW1
> **  Error in Parallel LAPW1
> **  LAPW1 STOPPED at Çrş 27 Oca 2021 15:40:55 +03
> **  check ERROR FILES!
> Error in LAPW1
> Error in LAPW1
> Error in LAPW1
> Error in LAPW1
> Error in LAPW1
> Error in LAPW1
> Error in LAPW1
> Error in LAPW1
> Error in LAPW1
> 
> -- 
> Yrd Doc Dr. Murat Aycibin
> Van Yuzuncu Yil Universitesi
> Fizik Bolumu
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
> 

-- 
Peter Blaha, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300          Email: peter.blaha at tuwien.ac.at
WWW: http://www.imc.tuwien.ac      WIEN2k: http://www.wien2k.at