[CP2K:10498] using precompiled version for ase / cp2k_shell ?

Ole Schütt o... at schuett.name
Tue Jul 10 11:42:25 UTC 2018

Hi Gergely,

you will need a cp2k_shell binary. AFAIK, the Fedora/CentOS package does 
not include it. So yes, you will have tom compile it from scratch. If it 
is of any help, the Debian/Ubuntu package does have the cp2k_shell 


On 2018-07-10 11:52, Gergely Juhasz wrote:
> Hi,
> I would like to set up cp2k as a calculator for my ase (Atomic
> Simulation Environment) installation on a CentOS machine.
> Since I have not much experience with cp2k program, I thought I simply
> could use the single node optimized binaries that are available at
> sourceforge .
> However, the documentation of ase says it communicates with cp2k
> through a cp2k shell. Can I configure the binaries to be used as this
> shell?  Or compiling everything from source code is the recommended
> way to install cp2k as calculator?
> Thank you for your comments
> Best regards,
> Gergely Juhasz
>  --
> You received this message because you are subscribed to the Google
> Groups "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send
> an email to cp2k+uns... at googlegroups.com.
> To post to this group, send email to cp... at googlegroups.com.
> Visit this group at https://groups.google.com/group/cp2k.
> For more options, visit https://groups.google.com/d/optout.

More information about the CP2K-user mailing list