Restart file

Axel akoh... at gmail.com
Mon Apr 25 18:47:35 UTC 2011



check out this flag.

http://cp2k.berlios.de/manual/CP2K_INPUT/GLOBAL.html#desc_WALLTIME

however, you have to be careful to make sure that you have sufficient slack
time included that is needed for (parallel) startup and to finish whatever
submodule is executed until the wall time is checked inside of cp2k again.

other than that, it is usually easier to run in fixed length chunks and 
then 
estimate the wall time for that, plus a safety margin.

axel.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20110425/91136463/attachment.htm>


More information about the CP2K-user mailing list