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.
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