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 > ==================== > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
