[CP2K:6759] CP2K_exercises:C2H2 and C2H4 bond energy
mba... at gmx.net
Sat Jul 11 12:00:15 CEST 2015
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
> 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.
More information about the CP2K-user