[CP2K-user] posting to log file

Raitis raitis... at gmail.com
Thu Jul 4 13:41:13 CET 2019


Hi,

I am new to the cp2k and I am trying to calculate the Raman spectra by 
following this tutorial 
<https://brehm-research.de/files/spec_tutorial_2018.pdf>. I am having 
several questions about cp2k performance/way of calculating things:

1. Is it normal that for several first hours of my calculations there are 
nearly no output in the log file (it prints all the cp2k and quickstep 
related information and then nothing for a while). Is it supposed be like 
that or something might be wrong? What is happening during this time.

2. The walltime on my server is 2 days and I cannot finish all the 
simulation in this time, therefore I am continuing it using the .restart 
file. But than again, once I restart the simulation, there is this long few 
hour time were nothing is written in the log file, and only later the 
actual simulation data are printed.

Raitis
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