[Wien] Parallel computing

Laurence Marks L-marks at northwestern.edu
Tue Apr 7 16:30:27 CEST 2015


testpara - my tablet "corrected" my spelling.

___________________________
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
MURI4D.numis.northwestern.edu
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
On Apr 7, 2015 9:29 AM, "Laurence Marks" <L-marks at northwestern.edu> wrote:

> Edit your .machines files do it "fits" well. For instance, for 5 cores and
> 53 k-pts use 11 11 11 10 10 before the ":" for each each host. Use test
> para to check.
>
> ___________________________
> Professor Laurence Marks
> Department of Materials Science and Engineering
> Northwestern University
> www.numis.northwestern.edu
> MURI4D.numis.northwestern.edu
> Co-Editor, Acta Cryst A
> "Research is to see what everybody else has seen, and to think what nobody
> else has thought"
> Albert Szent-Gyorgi
> On Apr 7, 2015 6:02 AM, "Ридный Ярослав Максимович" <
> yaroslav at physics.susu.ac.ru> wrote:
>
>> Hi, I have a question. I do my calculations on supercomputer. It is
>> located on one node 12 cores (processors).
>> If the number of k-points higher than the number of processors, as
>> happens parallelization
>> The first stage of parallelization goes on to-point to different
>> processors.
>> The second stage goes parallelization rate of 1 k-points on multiple
>> processors.
>> Do I understand correctly or not.
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>
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