Re: [Wien] x lapw2 parallel problem

[Paresh Chandra Rout]

Thank you very much sir for the kind reply.

On Sat, Sep 19, 2015 at 9:01 PM, Gavin Abo  wrote:

> You might want to see the post at
>
> http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg04029.html
>
> where Prof. Blaha mentions that "x lapw2 -qtl -p" works differently from
> "x lapw2 -p".  That "x lapw2 -p -qtl" will run only ONE job (on one
> processor), but it should use the parallel vector files (vector_1,...).  I
> expect that this extends to the spin-polarized case (with -up and -dn).
>
>
> On 9/19/2015 8:42 AM, Paresh Chandra Rout wrote:
>
> Dear all,
> I am facing a problem in parallelizing lapw2 part while running a DOS
> calculation interactively through job script as follows.
> x lapw1 -up -p
> x lapw1 -dn -p
> x lapw2 -qtl -up -p
> x lapw2 -qtl -dn -p
> The* x lapw1 -up -p* was running through all nodes parallely. But* lapw2*
> is running in single node and with one processor like *lapw2c.* Am I
> missing any parameters for parallelization in dos calculation ? Any help
> would be highly appreciated .
>
> Kind Regards
> Paresh Chandra Rout
> Research Scholar
> Indian Institute of Science Education and Research, Bhopal
>
>
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>
>
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Re: [Wien] x lapw2 parallel problem

[Gavin Abo]

You might want to see the post at

http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg04029.html

where Prof. Blaha mentions that "x lapw2 -qtl -p" works differently from 
"x lapw2 -p".  That "x lapw2 -p -qtl" will run only ONE job (on one 
processor), but it should use the parallel vector files (vector_1,...).  
I expect that this extends to the spin-polarized case (with -up and -dn).


On 9/19/2015 8:42 AM, Paresh Chandra Rout wrote:

Dear all,
I am facing a problem in parallelizing lapw2 part while running a DOS 
calculation interactively through job script as follows.

x lapw1 -up -p
x lapw1 -dn -p
x lapw2 -qtl -up -p
x lapw2 -qtl -dn -p
The* x lapw1 -up -p* was running through all nodes parallely. 
But*lapw2* is running in single node and with one processor like 
*lapw2c.* Am I missing any parameters for parallelization in dos 
calculation ? Any help would be highly appreciated .


Kind Regards
Paresh Chandra Rout
Research Scholar
Indian Institute of Science Education and Research, Bhopal
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[Wien] (no subject)

[Mohammed S. Mohammed]

After finish the setup and when try to make./w2webthe following massage 
appeares###
# w2web starter   #
# Copyright (C) 2001 luitz.at #
###
Environment variable WIENROOT not set!

please advise me
Thank you
Yours
Mohammed Said Abu-Elmagd___
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[Wien] x lapw2 parallel problem

[Paresh Chandra Rout]

Dear all,
I am facing a problem in parallelizing lapw2 part while running a DOS
calculation interactively through job script as follows.
x lapw1 -up -p
x lapw1 -dn -p
x lapw2 -qtl -up -p
x lapw2 -qtl -dn -p
The* x lapw1 -up -p* was running through all nodes parallely. But* lapw2*
is running in single node and with one processor like *lapw2c.* Am I
missing any parameters for parallelization in dos calculation ? Any help
would be highly appreciated .

Kind Regards
Paresh Chandra Rout
Research Scholar
Indian Institute of Science Education and Research, Bhopal
___
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