[Wien] SRC_mixer files

[Laurence Marks]

Dear Lyudmila,

>From the output files the bug appears to be something real in the current
web version of the mixer, as I cannot see anything catastrophically wrong
in his output files. I am trying to track it down with Paresh, there is at
least one thing odd with the HPC system he is using (it does not like the
includes in W2kutils.c) so might well be a system/compiler specific issue.

On Sat, Sep 24, 2016 at 9:11 AM, Lyudmila Dobysheva <lyuka17 at mail.ru> wrote:

> 24.09.2016 00:31, Paresh Chandra Rout :
>
> I cannot find in your discussion some info:
> 1) does error repeat in sequential (not parallel) mode?
> 2) parallel over k-points (not mpi)?
> 3) it is when one k-point? what happens when several is taken?
> 4) put simply in terminal the task (not in a batch mode), what is written?
> 5) are all error files empty?
>
> To check all this, start with a fresh directory.
>
> Best wishes
>    Lyudmila Dobysheva
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-- 
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu ; Corrosion in 4D: MURI4D.numis.northwestern.edu
Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
Co-Editor, Acta Cryst A
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