We have our own computational cluster (10 nodes, 96 CPU cores and ~1Tb RAM each) located at:

hclm.ifp.tuwien.ac.at

SSH setup

For an easier access one might want to set up ssh-config file, ~/.ssh/config:

Host hclm                                                                       
  User username                                                                   
  Hostname hclmbck.ifp.tuwien.ac.at

And use the following command to login:

ssh hclm

For more info about ssh config file see this page.

To keep ssh session open for prolonged time, use the following keyword:

ServerAliveInterval 60

To monitor the usage of resources see this page.

SLURM

The slurm system is used to manage the queue with computational jobs. Use sinfo  to see the information on the current setup and available computational resources.

Here is a template for your run.sh  file:

#!/bin/bash

#SBATCH -J JOB_NAME
#SBATCH -N 1
#SBATCH --tasks-per-node=96
#SBATCH --partition=compute

#environment variables to setexport OMP_NUM_THREADS=1

# modules to load
module purge
module load --auto w2dynamics/1.1.4-gcc-11.4.0-4e7xlay

# commands to runmpirun -n  $SLURM_TASKS_PER_NODE DMFT.py input_file.in

To submit your job use:

sbatch run.sh

To check the status of your jobs:

squeue -u $USER

To cancel the job:

scancel job_id

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