Updated content from discourse for term slurm

[manbat]

We’re trying to run multi-node MPI computations with TURBOMOLE 7.3, specifically the ridft program. We are running Slurm on CentOS 7, and users do not have ssh access to compute nodes.

From what I can see Turbomole really wants to use ssh (or rsh!) for communication among individual nodes.

In similar situations (e.g. NAMD) I’ve been able to write a ssh “stand-in” script that invokes srun under the hood, but I haven’t been able to make one that works with Turbomole.

Is anyone successfully running Turbomole in a slurm environment without ssh access?

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