[Wien] Continuation after the crash

Stefaan Cottenier Stefaan.Cottenier at UGent.be
Fri Oct 22 13:01:35 CEST 2010


Both variants will work. Variant b) can save you a little bit of time, 
but is in a few situations not necessarily stable (that depends on the 
state of the program at the moment of the crash).

Anyway, in your case, with a crash in lap0, it will not matter at all: 
the execution time of lapw0 is marginal compared to the duration of 1 
iteration.

Stefaan


On 22/10/2010 12:57, Kakhaber Jandieri wrote:
> Dear wien2k users,
>
> I am performing structural optimization using "min_lapw".
> My task was aborted by the cluster because of the expiration of time limit.
> Now I want to continue from this point where the job was stopped.
> What should I do for that?
>
> a) run "min" with -NI switch:
> min -i 100 -s 10 -NI -j 'run_lapw -p -I -i 40 -ec 0.001 -fc 1.0 -cc 0.001'
>
> or
>
> b) run "min" with -NI switch indicating also the program at which the
> job was stopped (lapw0 in my case):
> min -i 100 -s 10 -NI -j 'run_lapw -p -I -i 40 -s lapw0 -ec 0.001 -fc 1.0
> -cc 0.001'
>
> Beforehand thankful for any advices,
>
> Dr. Kakhaber Jandieri
> Department of Physics
> Philipps University Marburg
> Tel:+49 6421 2824159 (2825704)
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
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