using REFTRAJ
jadefox337
jadef... at gmail.com
Mon Jun 20 23:22:59 UTC 2011
Hello,
I am now using REFTRAJ option and have run into a (new) problem. When
I restart the job, all the output files (forces, Dipole, moments, etc)
that were generated in the first part of the run, get overwritten.
I had assumed that the RESTART in *.inp, only needs to have the
section under EXT_RESTART specified;
&EXT_RESTART
RESTART_FILE_NAME z_dmd300myh2o-1.restart
....
&END
and the other files that the run generated will have the new data
appended. This is the behaviour in general.
Unfortunately, all files were overwritten. Is this a bug or a
different behaviour ? I can get around this problem, but I was just
wondering.
Thanks,
Madeleine
More information about the CP2K-user
mailing list