[CP2K-user] [CP2K:16783] Re: Cannot use CP2K via Docker/Singularity

[Lenard Carroll]

For Docker I just did:
docker pull cp2k/cp2k
docker run cp2k/cp2k cp2k --version

then I get the error. I tried it on my PCs and two HPC servers.

Since I am also new to docker and singularity, I don't know quite how to
edit that information in the container already, I'll see what I can find.

On Tue, Mar 29, 2022 at 12:54 PM Ole Schütt <ole.schuett at cp2k.org> wrote:

> Hi,
>
> how exactly did you try to run via Docker?
> Note that the docker image is pretty new and you are one of the first to
> use it. So any feedback is appreciated.
>
> > Then when using singularity instead of docker, I get the following error
> message:
>
> Unfortunately, I don't have any experience with Singularity. You could try
> commenting those lines in the prod_entrypoint.sh
> <https://github.com/cp2k/cp2k/blob/master/tools/docker/scripts/prod_entrypoint.sh#L17>
> script and instead use the absolute path of the binary.
> If that works, I'll move the creation of those symlinks to the build phase
> (or replace them with aliases).
>
> -Ole
>
>
>
>
>
> On Sunday, March 27, 2022 at 6:57:12 PM UTC+2 lenardc... at gmail.com wrote:
>
>> Hi there, I hope you are doing well.
>>
>> I tried using CP2K via Docker following this
>> https://hub.docker.com/r/cp2k/cp2k
>> but I get the following error message:
>> /opt/cp2k/prod_entrypoint.sh: line 20:   443 Illegal instruction     "$@"
>>
>> Then when using singularity instead of docker, I get the following error
>> message:
>> ln: failed to create symbolic link '/opt/cp2k/exe/local/cp2k': Read-only
>> file system
>>
>> Can you help me resolve this? I've been trying to get CP2K working for a
>> month now at my local HPC. I have failed, so I turned to asking help from
>> admin, but they too cannot get it right. So now I am trying to go for a
>> container, but I get the above error messages.
>>
>>
>>
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