[Pw_forum] restart_mode

[Paolo Giannozzi]

Restart is tricky. In the current version of QE, if I remember
correctly, it works only if you specify " disk_io='high' " in
both the interrupted and restarted run, which however sometimes
increases disk I/O to unacceptable level. If your job doesn't 
restart, get the latest useful atomic/lattice configuration, 
copy it into the input file, start again.

In the development version, the restart mechanism is quite different:
when the job is stopped by the user (either by specifying a maximum 
run time or by creating a file $prefix.EXIT) restart data is saved.
It works much better then before, in my opinion, but it doesn't cover
the case of a crash for unpredictable reasons.

P.

On Mon, 2013-05-27 at 09:42 +0100, Sakhrawi Taoufek wrote:
> Dear all,
> i am doing relax calculation, i want to restart calculation from the
> last iteration and last geometry where job stops, so in the control
> section i activate "restart_mode='restart'", but when rerun the job it
> starts from the beginning!!!
> note that in the scratch folder there is all files *.wfc *.save *.igk
> there is any idea how to fix that.
> thinks
> 
> 
> 
> 
> 
> ====================
> Sakhraoui Taoufik
> Phd student, LMCN
> Monastir, Tunisia
> ====================
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-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222