how to compile CP2K in ubuntu

Alfio Lazzaro alfio.... at
Mon Apr 9 13:59:10 UTC 2018

I'm not sure I understood your question... You compiled CP2K with MPI, 
therefore you have to run it as a MPI application:

mpirun -n 16 cp2k.popt -i input.inp -o output.out

Is this what you want?


Il giorno lunedì 9 aprile 2018 12:34:02 UTC+2, celio angel ha scritto:
> Thank you so much for the reply.yes i have installed all library and the 
> installation it's ok. when i want to doing a test on 16 threads using the 
> version popt
> is this command are corect or what do you should me doing
> cp2k.popt  n=16  input.inp output.out 
> Le dimanche 8 avril 2018 23:24:55 UTC+1, celio angel a écrit :
>> Dear all user of CP2K, how can i compile a file of cp2k in ubuntu in 
>> parralel mode.what is the commod line.
>> Thank you
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