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VTT-ProperTune / OpenPFC

Open-source solver for phase field crystal type (PFC) type problems.
GNU Affero General Public License v3.0
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Create singularity container #13

Open ahojukka5 opened 9 months ago

ahojukka5 commented 9 months ago

We should try to create a singularity container, containing everything ready to go. This would make it much easier to try out the code. A challenge is on how to create container such a way that it would use system wide MPI libraries so that we can go to HPC, but the first step would be just to install MPI libraries inside singularity container itself.

ahojukka5 commented 3 months ago

https://docs.lumi-supercomputer.eu/software/containers/singularity/#building-apptainersingularity-sif-containers

Here's example how to create sif container using LUMI's MPI.

ahojukka5 commented 3 weeks ago 
terminate called after throwing an instance of 'nlohmann::detail::parse_error'
  what():  [json.exception.parse_error.101] parse error at line 1, column 1: syntax error while parsing value - unexpected end of input; expected '[', '{', or a literal
Aborted

Something mystical is happening when running inside the container. Parsing of stdin is not working for some reason.