[Pw_forum] pwscf restart problem

[toufik esssakhri]

you use just one input file with : restart_mode='restart', from the begining


> Date: Tue, 3 Jun 2014 17:03:21 +0530
> From: manchugh at iitk.ac.in
> To: pw_forum at pwscf.org
> Subject: [Pw_forum] pwscf restart problem
> 
> Dear QE users
> 
> I am running a relax calculation for 5x5 unit cell. Due to less number of
> available processors, I had to restart the calculation twice after the
> walltime exceeds the limit. For the first time, I made copy of my first
> input file with some another name and changed the restart_mode from
> "from_scratch" to "restart". It worked perfectly.
> For the second time also, I made copy of my second input file with some
> another name and ran it. But for the second restart, calculation has been
> stopped at iteration 1. Is it wrong to do restart the calculation twice.
> 
> Thanks for any help
> Regards
> -- 
> Manjusha
> Research Scholar
> Department of Chemistry
> Indian Institute of Technology,Kanpur
> U.P., India 208016
> 
> 
> 
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