[Wien] [Wien2k Users] SGE Queuing System

[Ghosh SUDDHASATTWA]

Thanks Marks for the reply. 
That means if we configure Wien2k by mpi parallel, then by clicking the
parallel option in w2web, it is most likely (if our machines file is
correct) that it will run mpi_lapw! and not lapw. 

Suddhasattwa Ghosh 


-----Original Message-----
From: wien-bounces at zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Laurence Marks
Sent: Wednesday, February 03, 2010 7:28 PM
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] [Wien2k Users] SGE Queuing System

I think the answer to your question is that Wien2k does not know, you
as the user are responsible for this, an appropriate submission script
as well as having the right form of the .machines file. You should do
some google searching of documents on SGE, and you will almost
certainly have to submit jobs outside of w2web.

2010/2/3 Ghosh SUDDHASATTWA <ssghosh at igcar.gov.in>:
> Dear Prof. Blaha,
>
> I have posted this mail before. Unfortunately, I have not got any response
> so far. Since I am fairly a new user of Wien2k, I would kindly request you
> to help me in this regard.
>
> I would like to configure Wien2k in mpi parallel and k-point mode.
>
> My system is SGE.
>
> I would like to know as to how by w2web we can ask Wien2k to work by mpi
> parallel or through by k-point parallel. How Wien2k knows that my job
> submission system is SGE and not PBS.
>
>
>
> Kindly reply.
>
> Suddhasattwa Ghosh
>
>
>
>
>
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> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
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>
>



-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/
Electron crystallography is the branch of science that uses electron
scattering and imaging to study the structure of matter.
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