[CP2K:6759] CP2K_exercises:C2H2 and C2H4 bond energy

Michael Banck mba... at gmx.net
Sat Jul 11 12:00:15 CEST 2015


Hi

On Sat, Jul 11, 2015 at 12:52:06AM -0700, Shengjie Wang wrote:
> Dear cp2k expert,
>       I'm newbi user cp2k,doing exercises on the exercise 
> page:http://www.cp2k.org/exercises:2015_ethz_mmm:c2h2_bond_energy.
>      I got the two questions: 
>       1:They tell me to load the module for the cp2k program,but I can't 
> find them.Do I have to download something and recompile it?

That sounds like a very environment-specific way of running CP2K, I
assume the exercise was prepared for a specific lab or course and this
is not generally applicable.

The "module" command is a popular way to load/unload/switch between
environments on some compute clusters.

>       2:The command "bsub" is related to the operating system , is it right?

Same thing as above.

I suggest you ignore those two commands and just concentrate on the CP2K
input, assuming you can run CP2K fine in general.


Michael



More information about the CP2K-user mailing list