Running EESSI demos¶
To really experience how using EESSI can significantly facilitate the work of researchers, we recommend running one or more of the EESSI demos.
First, clone the
eessi-demo Git repository, and move into the resulting directory:
The contents of the directory should be something like this:
$ ls -l drwxr-xr-x 5 example users 160 Nov 23 2020 Bioconductor drwxr-xr-x 3 example users 96 Jan 26 20:17 CitC drwxr-xr-x 5 example users 160 Jan 26 20:17 GROMACS -rw-r--r-- 1 example users 18092 Jan 26 20:17 LICENSE drwxr-xr-x 3 example users 96 Jan 26 20:17 Magic_Castle drwxr-xr-x 4 example users 128 Nov 24 2020 OpenFOAM -rw-r--r-- 1 example users 546 Jan 26 20:17 README.md drwxr-xr-x 5 example users 160 Nov 23 2020 TensorFlow drwxr-xr-x 6 example users 192 Jan 26 20:17 scripts
The directories we care about are those that correspond to particular scientific software,
Each of these contains a
run.sh script that can be used to start a small
example run with that software. Every example takes a couple of minutes to run,
even with limited resources only.
Example: running GROMACS¶
Let's try running the GROMACS example.
First, we need to make sure that our environment is set up to use EESSI:
Change to the
GROMACS subdirectory of the
eessi-demo Git repository, and execute the
Shortly after starting the script you should see output as shown below, which indicates that GROMACS has started running: