wall clock limit

Ondrej Marsalek ondrej.... at gmail.com
Sat Dec 20 18:36:12 UTC 2008


i have a question about the wall clock limit setting in cp2k. is it
possible to also request a restart file so that the calculation can be
later restarted automatically?

if i only enable the wall clock limit, i usually get output in several
files (positions and velocities, for example) more recent than the most
recent restart file. therefore, an automatic restart (resubmission of
the same job, for example) will create duplicate entries in those files,
which is something i would like to avoid, if possible.


More information about the CP2K-user mailing list