EESSI

The European Environment for Scientific Software Installations (EESSI, pronounced as "easy") offers software readily available in every type of architecture, including both arm and x86 in Deucalion. The EESSI documentation can be found here.

Right now we offer EESSI in the ARM partition, with plans to expand to the remaining partitions soon.

To use EESSI in the ARM partition, you must run some commands:

unset MODULEPATH
source /cvmfs/software.eessi.io/versions/2023.06/init/bash

This will make sure that you will only have access to the modules from EESSI. The available EESSI modules can be found here.

To get the available modules please use lm0d's module avail commend:

{EESSI 2023.06} [malaca@cna0001 ~]$ module avail

------------------------ /cvmfs/software.eessi.io/versions/2023.06/software/linux/aarch64/a64fx/modules/all -------------------------
   archspec/0.2.1-GCCcore-12.3.0                       libwebp/1.3.1-GCCcore-12.3.0
   Bison/3.8.2-GCCcore-12.3.0                          libwebp/1.3.2-GCCcore-13.2.0              (D)
   Bison/3.8.2-GCCcore-13.2.0                  (D)     libxml2/2.11.4-GCCcore-12.3.0
   BLIS/0.9.0-GCC-12.3.0                               libxml2/2.11.5-GCCcore-13.2.0             (D)
   (...)
     LibTIFF/4.6.0-GCCcore-13.2.0                (D)     ZeroMQ/4.3.5-GCCcore-13.2.0               (D)
   libunwind/1.6.2-GCCcore-12.3.0                      zstd/1.5.5-GCCcore-12.3.0
   libunwind/1.6.2-GCCcore-13.2.0              (D)     zstd/1.5.5-GCCcore-13.2.0                 (D)

  Where:
   Aliases:  Aliases exist: foo/1.2.3 (1.2) means that "module load foo/1.2" will load foo/1.2.3
   D:        Default Moduleß

Example of a jobscript file that runs Quantum Espresso in an ARM node using EESSI:

#!/bin/bash
#SBATCH --ntasks=96
#SBATCH --ntasks-per-node=48
#SBATCH --cpus-per-task=1
#SBATCH --time=4:0:0
#SBATCH --partition nornal-arm
#SBATCH --export=None
#SBATCH --mem=30000M
#SBATCH --account=<account>

export EESSI_SOFTWARE_SUBDIR_OVERRIDE=aarch64/a64fx
source /cvmfs/software.eessi.io/versions/2023.06/init/bash

module load ESPResSo/4.2.2-foss-2023a
export SLURM_EXPORT_ENV=HOME,PATH,LD_LIBRARY_PATH,PYTHONPATH
mpirun -np 96 python3 lj.py