[Wien] mixer error with gfortran

[Md. Fhokrul Islam]

Hi Marks,


Thanks you for your reply. I did check Tic.scf1up/dn,  TiC.scf2up/dn and TiC.lapwso files but all of these

files look ok. There is no error. Only error message I got in TiC.dayfile that I mentioned earlier:


Last three line of TiC.dayfile:


>   lcore -dn   (15:43:38) 0.017u 0.003s 0:00.13 7.6%   0+0k 0+264io 0pf+0w

>   mixer       (15:43:38) 0.037u 0.007s 0:00.13 23.0%  0+0k 0+32io 0pf+0w
error: command   /bionano2/Wien2k14.2/mixer mixer.def   failed


As I mentioned earlier it occurs only when I do spin-orbit calculation.



Thanks,

Fhokrul


________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Laurence Marks <L-marks at northwestern.edu>
Sent: Wednesday, October 4, 2017 11:38 AM
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] mixer error with gfortran

Normally this means that one of the other programs (lapwso, lapw2 etc) crashed. Please check the *.error files & *.dayfile

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On Oct 4, 2017 06:36, "Md. Fhokrul Islam" <fislam at hotmail.com<mailto:fislam at hotmail.com>> wrote:

Hi Wien2k users,


I am trying to do TiC calculation as mentioned in the userguide with Wien2k compiled with gfortran.

It works fine without spin-orbit (SO) coupling but if I add SO it crashes in the 1st cycle with 'mixer error'.


error: command   /bionano2/Wien2k14.2/mixer mixer.def   failed


There is no other error message or error file. However, if I do the same TiC calculation in another

machine with an intel compiled Wien2k, this problem does not arise. So I am not sure why there

is a mixer error with gfortran for TiC when I do spin-orbit calculation.


I tried another test calculation with GaAs but this one works fine with gfortran.


Any suggestion will be appreciated.



Thanks,

Fhokrul



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