[CP2K-user] posting to log file
Raitis
raitis... at gmail.com
Thu Jul 4 13:41:13 UTC 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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