[Pw_forum] restart flag for nmr calculation using gipaw

[Prasenjit Ghosh]

Dear Davide,

Thanks for the reply.
The recover files are there and the calculations have started from the
k-point where it stopped earlier.

With regards,

Prasenjit

On 23 August 2012 12:52, Davide Ceresoli <davide.ceresoli at istm.cnr.it>wrote:

> Dear Prasenjit,
>      by default gipaw should restart interrupted calculation.
> You can check if "prefix.recoverNN" files are present in the
> scratchdir. If you want instead to start from scratch, you
> must manually remove those files.
>
> Davide
>
>
> On 08/22/2012 03:47 PM, Prasenjit Ghosh wrote:
> > Dear all,
> >
> > I am doing an nmr calculation with gipaw. I need to restart the
> calculation
> > because of restriction in the max cpu hour.
> > However, in the manual for the gipaw input file, I could not find any
> flag to
> > restart a calculation from the point where it has stopped.
> > Is it possible to restart the nmr calculation using gipaw.x. If so how?
> >
> > With regards,
> >
> > Prasenjit
> >
> > --
> > PRASENJIT GHOSH,
> > IISER Pune,
> > First floor, Central Tower, Sai Trinity Building
> > Garware Circle, Sutarwadi, Pashan
> > Pune, Maharashtra 411021, India
> >
> > Phone: +91 (20) 2590 8203
> > Fax: +91 (20) 2589 9790
>
> --
> +--------------------------------------------------------------+
>    Davide Ceresoli
>    CNR Institute of Molecular Science and Technology (CNR-ISTM)
>    c/o University of Milan, via Golgi 19, 20133 Milan, Italy
>    Email: davide.ceresoli at istm.cnr.it
>    Phone: +39-02-50314276, +39-347-1001570 (mobile)
>    Skype: dceresoli
> +--------------------------------------------------------------+
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>



-- 
PRASENJIT GHOSH,
IISER Pune,
First floor, Central Tower, Sai Trinity Building
Garware Circle, Sutarwadi, Pashan
Pune, Maharashtra 411021, India

Phone: +91 (20) 2590 8203
Fax: +91 (20) 2589 9790
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