[Wien] k point parallel mode

Laurence Marks L-marks at northwestern.edu
Fri Dec 30 11:50:19 CET 2011

To "make" the file, you use an editor (nothing more or less) and put
the file in the directory where you are running the job. I have not
looked, but there is probably something in w2web to do this.

N.B., the code does not use OMP anywhere (at present) so this will not
do anything.

2011/12/30 susanta mohanta <susanta.phy at gmail.com>:
> Dear Prof. Blaha and Wien2k Users,
>            I am running wien2k on a intel i7 PC (6core 12 Processors) with
> Fedora linux.
> The program is using maximum six processors at a time. I think, I have to do
> k point
> parallel configuration to use all the processors for a single program. I
> have tried with
> OMP_NUM_THREADS (1 to 12), it did not work. Any suggestion how to make
> .machine
> (though example is there but where to make) file
> and which files needs to be edited (or created) for k point parallel mode
> will be helpful. I have
> gone through the user guide and checked in the mailing list, but could not
> find thing that could
> help me.
>  Wish you all a very happy new year in advance.
> with sincere regards
> susanta
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Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what
nobody else has thought"
Albert Szent-Gyorgi

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