[Pw_forum] restart flag for nmr calculation using gipaw

[Davide Ceresoli]

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
+--------------------------------------------------------------+