[CP2K-user] [CP2K:20534] Re: cp2k compiled without plumed cmake

Rangsiman Ketkaew rangsiman1993 at gmail.com
Tue Aug 6 10:34:17 UTC 2024


How did you compile CP2K? When you installed a toolchain, did you request 
the script to install PLUMED with an option "--with-plumed" ?

Best,
Rangsiman

On Wednesday, July 10, 2024 at 2:38:18 PM UTC+2 Ivan Bosch wrote:

> I have installed cp2k+plumed with spack but when I try to run it, I get 
> this:
> ------------------------------
>
>    - ___ *
>    - / \ *
>    - [ABORT] *
>    - ___/ Requested to use plumed for metadynamics, but cp2k was not 
>    compiled *
>    - | with plumed support. *
>    - O/| *
>    - /| | *
>    - / \ metadynamics.F:187 *
>
> ------------------------------
>
> What are the CMake flags required for cp2k to compile with plumed?
>
> Thanks, Ivan HPC DevOps
>

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