Topic outline

  • For your project work, you can use:

    the Aalto Workstations with Ubuntu 20.04 abd Intel I5 11th generations with 12-cores - see here for remote access and where you can find those on the campus. 

    the Triton computational cluster ( overview here ) with different architectures, but which allows you to run your calculations up-to 192 cores. For getting the access (if you do not have already), please contact us. We can provide you a temporary acccess to the cluster - for the time of the course.
    You can login to the cluster through ssh -X, (don't forget to add your username) from any computer at Aalto. Otherwise use double ssh through kosh or taltta (see the remote access).
    You can start to create your input files in your scratch directory:
    Navigate there, create new folder and you can start to create your files. Beware that not all the visualization software is on triton, and not all the pop-up windows can tunnel through ssh -X.

    DO NOT RUN YOUR CALCULATIONS ON THE LOGIN NODE!!! - You should put your calculations into a queue via slurm command.  The example of slurm script for running the FHI-aims code on Triton is provided here. You will submit it into the queue via:

    sbatch YOUR_SCRIPT

    You can check the status of your calculations through:

    squeue -u YOUR_USERNAME

    If there are no running jobs, check the output of your calculations - either they are already done, or there was a mistake somewhere in the inputs.
    The species for your calculations can be found in:

    Good luck with your calculations!