[Wien] x lapw2 parallel problem

Paresh Chandra Rout pareshchandra at iiserb.ac.in
Sun Sep 20 06:04:23 CEST 2015


Thank you very much sir for the kind reply.

On Sat, Sep 19, 2015 at 9:01 PM, Gavin Abo <gsabo at crimson.ua.edu> 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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