How to print the output from the beginning of the simulation?

David Stelter base... at gmail.com
Sun Nov 10 19:41:53 CET 2013


Hi Bharat,

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.

David

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.
>
> Bharat 
>
>
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