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 > +--------------------------------------------------------------+ > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- 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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120823/3289dcb6/attachment.htm
