Molcas Forum

micat

Member

Registered: 2024-06-16

Posts: 4

OpenMolcas 24.02 on docker container system

Hi,

Our IT center installed OpenMolcas 24.02 on docker container system.
However it looks EMIL command did not work. for example $CurrDir did not recognize.

And then IT center mentioned 'all the normal commands that you would type if OpenMolcas was directly installed on the host (or loaded with a module, for instance) into an equivalent to work with a Singularity container, and that means passing the necessary environmental variables and access to folders on the host with --bind and having the correct syntax in the command that you use to start the calculation'.

I am not a developer, so I don't understand IT center wants me to do. If anyone knows what I should tell to IT center, please tell me.

Kindest regards,
Michiko

micat

Member

Registered: 2024-06-16

Posts: 4

Re: OpenMolcas 24.02 on docker container system

Hi,

I gave up using container. Even absolute path and relative path didn't work in my case.

Regards,
Michiko