[CP2K:2689] Re: abnormal termination 0
power... at gmail.com
Tue Apr 27 19:13:04 UTC 2010
http://www.nyu.edu/pages/mathmol/library/water/water.html the pdb
molecule for water is the one i used.
the problem did not occur during a job, after a few successive jobs, i
made some changes on the script, for an energy calculation. then i
changed it back to the very same script i made successive jobs and it
did not work. 2-3 days past since the last time i was able to run a
job. i did nothing, cp2k program is on school's server and i do not
think that anything changed with it but i am going to ask.
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