Unable to run CP2K 2026.2 on computer cluster

[Edwin Helbert Aponte Angarita]

Dear All,

The computer cluster of my university uses SLURM as workload manager.
For parallel runs, it imposes a memory usage limit per task (4GB by
default). I am trying to run a simulation using the attached input files
but the workload manager kills the simulation before it can even write
an output file, I suppose because one of the mpi tasks (possibly the
master) is using much more memory than the others (and that is allowed)
at the beginning. SLURM is giving me the following error:

The task which had the largest memory consumption differs by 260.42%
from the average task max memory consumption

I have tried adding TRACE and TRACE_MASTER but as I said, cp2k.psmp is
killed before it writes an output file.

This simulation runs fine using CP2K 2024.3 on the same cluster.

I would greatly appreciate your help.

Kind regards,
Edwin.