[Wien] mixer error with gfortran

[Gavin Abo]

It looks like you are using WIEN2k 14.2.  Do you have the mixer write 
patch applied:


https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13760.html


There might have been other bugs too [ 
http://susi.theochem.tuwien.ac.at/reg_user/updates/ ].  Have you tried a 
new WIEN2k version?  The new version might have a code fix.


On 10/4/2017 8:17 AM, Md. Fhokrul Islam wrote:
>
> 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
>
> ---
> Professor Laurence Marks
> "Research is to see what everybody else has seen, and to think what 
> nobody else has thought", Albert Szent-Gyorgi
> http://www.numis.northwestern.edu
> Marks Group <http://www.numis.northwestern.edu/>
> www.numis.northwestern.edu
> The Marks Research Group. Welcome to the Marks Research Group. We work 
> on a wide range of different topics involving nanoscale materials, 
> combining advanced ...
>
>
>
> Corrosion in 4D http://MURI4D.numis.northwestern.edu 
> <http://MURI4D.numis.northwestern.edu>
> <http://muri4d.numis.northwestern.edu/>
> 	
> Understanding Corrosion in 4D <http://muri4d.numis.northwestern.edu/>
> muri4d.numis.northwestern.edu
> HOME Vision; Foci. NiAl Alloys; MoSi Alloys; Aqueous Corrosion; Tools. 
> Atomic 3D Tomography; In-Situ Microscopy; Multiscale Computation; 
> Scanning Probe; Pico Scale ...
>
>
>
> Partner of the CFW 100% gender equity project, www.cfw.org/100-percent 
> <http://www.cfw.org/100-percent>
> 100 Percent Project - Chicago Foundation for Women 
> <http://www.cfw.org/100-percent>
> www.cfw.org
> The 100% Project About a year ago, we began a series of conversations 
> with Chicagoans from every walk of life—women and men, young and old, …
>
>
>
> Co-Editor, Acta Cryst A
>
> 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
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20171004/46abe59b/attachment.html>