[QE-users] Regarding max_seconds in hp.x code

[Lorenzo Paulatto]

Restarting this kind of code is always a bit tricky, because it requires 
checking at any point that all output is consistent and has been 
correctly written to disk. In my experience, it is so slow that it is 
preferable to not do restart at all.

What I recommend, is learn (from the examples) how to split the 
calculation over on atoms and q-points, which will allow you to run each 
step without stopping, and potentially much faster if you run them at 
the same time on different computing nodes.

cheers




On 9/7/20 10:04 AM, Mohad Abbasnejad wrote:
> Hello QE users.
> My running time cluster is 342000 seconds.
> I want to use the  max_seconds option in hp.x to resume my calculation 
> after the  running time cluster is finished.
> Is it enough to put only max_seconds=341000 in the input file and run it 
> with hp.x?
> I used max_seconds=341000 in my input, but my job did not stop smoothly.
> Could any one help me with this?
> 
> Best
> Mohaddeseh
> 
> -- 
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> Mohaddeseh Abbasnejad,
> Assistant Professor of Physics,
> Faculty of Physics,
> Shahid Bahonar University of Kerman,
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-- 
Lorenzo Paulatto - Paris