[Wien] Parallel compiling on PBS

[Peter Blaha]

I suppose you mean: running a parallel job under pbs, but started in w2web.

You can define your own "execution type" in "CONFIGURATION".
It could look something like:

pbs=cat %f> w2webjob;chmod +x w2webjob;qsub -options ... w2webjob

Put your necessary options into this line.

Basically   "%f"  is what would be executed interactively (or in the background).
This is a small script and you put it in a file (eg. w2webjob, check it out how it
looks like). Then you add a command which submits this job to pbs.
Eventually you have to combine it with a script creating the .machines file
on the fly as given in the faq page of www.wien2k.at




Bo Qiu schrieb:
> Dear Wien2k users and developers,
> 
> I'm just wondering if the parallel compiling can be used in w2web when 
> under queuing systems PBS? If yes, then how to ? Thanks a lot!
> 
> -- 
> Thanks and Best Wishes.
> 
> Sincerely yours,
> Bo Qiu
> http://web.ics.purdue.edu/~qiub/
> 
> 
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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