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marvel-nccr / ansible-role-aiida

An ansible role that installs and configures AiiDA on Ubuntu.
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👌 IMPROVE: Make `mpirun_command` configurable #69

Closed sphuber closed 3 years ago

sphuber commented 3 years ago

Fixes #68

The correct command will be scheduler specific and so needs to be configurable given that the scheduler is as well.

sphuber commented 3 years ago

@chrisjsewell @ltalirz this is a prerequisite for a fix necessary for QM. The localhost computer there uses SLURM as scheduler but mpirun as executable, which should be srun I think

chrisjsewell commented 3 years ago

yep making this configurable is uncontroversial