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Example: loading modules for the right Python packages

Loading modules is simple:

  1. You find the module and version using module avail or search for it using module spider.
  2. You load the module directly and/or the module toolchain to access to the module.

Example:

In this example we will load scipy.

$ module spider scipy

---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
  scipy:
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
     Versions:
        scipy/1.6.3 (E)
        scipy/1.7.1 (E)
        scipy/1.8.1 (E)
        scipy/1.10.1 (E)
        scipy/1.11.1 (E)
     Other possible modules matches:
        SciPy-bundle

Names marked by a trailing (E) are extensions provided by another module.


---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
  To find other possible module matches execute:

      $ module -r spider '.*scipy.*'

---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
  For detailed information about a specific "scipy" package (including how to load the modules) use the module's full name.
  Note that names that have a trailing (E) are extensions provided by other modules.
  For example:

     $ module spider scipy/1.8.1
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

At this time there are multiple versions of scipy available. We are interested in the latest version.

$ module spider scipy/1.11.1

---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
  scipy: scipy/1.11.1 (E)
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
    This extension is provided by the following modules. To access the extension you must load one of the following modules. Note that any module names in parentheses show the modul
e location in the software hierarchy.


       SciPy-bundle/2023.07-iimkl-2023a
       SciPy-bundle/2023.07-gfbf-2023a


Names marked by a trailing (E) are extensions provided by another module.

scipy/1.11.1 can be provided by SciPy-bundle/2023.07-gfbf-2023a or SciPy-bundle/2023.07-iimkl-2023a module.

$ module load SciPy-bundle/2023.07-gfbf-2023a

We finish with listing all our loaded modules: 

$ module list

Currently Loaded Modules:
  1) GCCcore/12.3.0                 7) FFTW/3.3.10-GCC-12.3.0          13) SQLite/3.42.0-GCCcore-12.3.0  19) cryptography/41.0.1-GCCcore-12.3.0
  2) zlib/1.2.13-GCCcore-12.3.0     8) gfbf/2023a                      14) XZ/5.4.2-GCCcore-12.3.0       20) virtualenv/20.23.1-GCCcore-12.3.0
  3) binutils/2.40-GCCcore-12.3.0   9) bzip2/1.0.8-GCCcore-12.3.0      15) libffi/3.4.4-GCCcore-12.3.0   21) Python-bundle-PyPI/2023.06-GCCcore-12.3.0
  4) GCC/12.3.0                    10) ncurses/6.4-GCCcore-12.3.0      16) OpenSSL/1.1                   22) pybind11/2.11.1-GCCcore-12.3.0
  5) OpenBLAS/0.3.23-GCC-12.3.0    11) libreadline/8.2-GCCcore-12.3.0  17) Python/3.11.3-GCCcore-12.3.0  23) SciPy-bundle/2023.07-gfbf-2023a
  6) FlexiBLAS/3.3.1-GCC-12.3.0    12) Tcl/8.6.13-GCCcore-12.3.0       18) cffi/1.15.1-GCCcore-12.3.0

That was a lot of modules needed! Luckily the module system handled all dependencies for us.