How to print the output from the beginning of the simulation?
base... at gmail.com
Sun Nov 10 19:41:53 CET 2013
When I ran your input file you submitted on a previous thread, the output
file was printed from the beginning of the calculation just like you are
suggesting. If you are running on a dedicated cluster, check the local
scratch or a different directory for the output file, chances are the
simulation is being run in a different directory and then copied to the
current directory once the job is finished.
On Saturday, November 9, 2013 7:10:43 AM UTC-5, bharat wrote:
> Hello CP2K experts,
> May be this is stupid question, if so, please forgive me. I want to see
> the .o file (output file) in every SCF iteration starting from beginning so
> that I can simply track some of the SCF convergence, energies or other
> properties. In my case, output is printed at the end of the job. Is it
> possible I can print output from the beginning of the calculation like in
> Gaussian 09 (it prints output .log file from the beginning of calculation?
> Thank you for your suggestions.
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