Using Modules
To run jobs on MOGON, you need to set up your environment correctly. This wiki page will help you to do so.
What are environment modules?
Environment modules, or module files, are a way to set up a working environment under Linux dynamically. HPC system administration has to be rather conservative: In order to provide a consistent environment, it is not possible to install the newest (untested) piece of software (or kernel stuff) system-wide. On the other hand, the requirement to run state of the art scientific software has to be fulfilled. This is where environment modules step in rather handy:
So, loading a particular module will set up an environment? This is mainly done by exporting environment variables, particularly PATH
and (LD)_LIBRARY_PATH
and others. Usually modulefiles contain code to sanitize the setup, e.g. reporting conflicts with other loaded modules or deprecation warnings.
Lmod: A New Environment Module System
Lmod is a Lua based module system that easily handles the MODULEPATH Hierarchical problem. Environment Modules provide a convenient way to dynamically change the users’ environment through modulefiles. This includes easily adding or removing directories to the PATH environment variable. Modulefiles for Library packages provide environment variables that specify where the library and header files can be found.
— Lmod Documentation
Working with Lmod
Frequently Used Commands
Command | Description | Example |
---|---|---|
module help | get a list of all commands known to module | |
module avail | find out what modules are available | module avail blender |
module list | list loaded modules | |
module load/add | loads modules/packages | |
module unload | unloads modules/packages | |
module swap | change from one compiler to another | module swap gcc intel |
module reset | go back to an initial set of modules |
Finding Modules
In many cases there are several versions of the same compiler/program installed. You have to check that your desired version is available.
module avail
You can get an overview of all available modules using the command
module avail
or
module av
You can use the search capabilities to refine your search, e.g.:
module av mathematica
gives
JGU HPC Modules
------------------- /cluster/easybuild/broadwell/modules/all -------------------
math/Mathematica/11.1.1 math/Mathematica/12.2.0 (D)
Where:
D: Default Module
Questions? contact us at hpc@uni-mainz.de
yet more ...
Area Specific Modules
EasyBuild, our software installation framework, provides prefixes – at least the way we install software – for modulefiles: bio
, chem
and phys
. This classification is a bit arbitrary at times, but you can search for the respective strings and look whether your desired application is already available.
Other classes include lib
and compiler
. Of particular relevance is sometimes the lang
category, e.g. for providing scripting languages with their correct version (see for example the entries on Python, R and BioConductor and Perl).
For example with
module av phys
you get all the Modules in phys
:
module avail phys
JGU HPC Modules
------------------- /cluster/easybuild/broadwell/modules/all -------------------
phys/ESPResSo++/2.0.1-foss-2018b
phys/HOOMD/2.5.1-fosscuda-2019b-double
phys/HOOMD/2.9.1-fosscuda-2019b-double
phys/HOOMD/2.9.1-fosscuda-2019b-single
phys/HOOMD/2.9.6-fosscuda-2019b-single
phys/HOOMD/2.9.6-fosscuda-2020b-double
phys/HOOMD/2.9.6-fosscuda-2020b-single (D)
phys/UDUNITS/2.2.26-GCCcore-8.3.0
phys/UDUNITS/2.2.26 (D)
Where:
D: Default Module
Questions? contact us at hpc@uni-mainz.de
yet more ...
module spider
The command module spider
lists all modules that can be loaded on MOGON.
module spider mathematica
gives
----------------------------------------------------------------------------
math/Mathematica:
----------------------------------------------------------------------------
Description:
Mathematica is a computational software program used in many
scientific, engineering, mathematical and computing fields.
Versions:
math/Mathematica/11.1.1
math/Mathematica/12.2.0
----------------------------------------------------------------------------
For detailed information about a specific "math/Mathematica" 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 math/Mathematica/12.2.0
----------------------------------------------------------------------------
Loading Modules
Now, knowing the modules that are available, you can go on by loading the module(s) you need. This will happen using the command module load [module]
or module add [module]
.
Example: Maybe you want to load gcc (version 10.2.0) and OpenMPI, so you would do
module load mpi/OpenMPI/4.0.5-GCC-10.2.0
That’s all - OpenMPI (version 4.0.5) was compiled with gcc 10.2.0 as the version string indicates, but mpicc depends on the specific compiler (and libraries), hence gcc is also provided in the correct version.
Listing active Modules
module list
From the example above:
Currently Loaded Modules:
1) compiler/GCCcore/10.2.0 4) lib/libfabric/1.11.0-GCCcore-10.2.0
2) compiler/GCC/10.2.0 5) lib/PMIx/3.1.5-GCCcore-10.2.0
3) lib/UCX/1.9.0-GCCcore-10.2.0 6) mpi/OpenMPI/4.0.5-GCC-10.2.0
Unload Modules
To expel a specific module you can use the command
module rm [module]
or
module unload [module]
If you want to unload all your loaded modules, use
module purge
Displaying contents of a Module
module show
ml - A convenient Tool
For those of you who can’t type the mdoule, moduel, err module command correctly, Lmod has a tool for you. With
ml
you won’t have to type the module command again. The two most common commands aremodule list
andmodule load <something>
andml
does both:
— Lmod Documentation
ml
means module list
. And
ml foo
means module load foo
.
ml -bar
means module unload bar
. It is not surprising that these can be combined:
ml foo -bar
means module unload bar
; module load foo
.
You can do all the module commands:
ml spider
ml avail
ml show foo
User Collections
User defined initial list of login modules
module load module1 module2 ...
On MOGON, users can create as many collections as they like. You can save to a named collection with:
module save <collection_name>
The collection is restored with:
module restore <collection_name>
You can display the contents of a name collection with
module describe <collection_name>
Use the following command to list the collections you already have:
module savelist
Finally, you can deactivate a collection with:
module disable <collection_name>
If no <collection_name>
is specified, the default is disabled. Note that the collection is not removed, only renamed. If you disable the collection foo
, the file foo
is renamed to foo~
. To restore the foo collection, you must do the following:
cd ~/.lmod.d; mv foo~ foo
Working with Environment Modules
In order to use the old Environment Modules system, the file ~/.nolmod
should be present in your home directory.
List of useful module commands
Before we really start, the most frequently used commands at a glance:
Command | Description |
---|---|
module -h|help | shows an overview of all available commands |
module avail | shows all available modules |
module load|add [module] | loads the module [module] |
module list | shows all loaded modules |
module rm|unload [module] | unloads the module [module] |
module purge | unloads all loaded modules |
Show modules
In many cases there are several versions of the same compiler/program installed. You have to check that your desired version is available.
You can get an overview of all available modules using the command module avail
1.
As module
reports on standard error, a grep for a particular module can be done like:
module avail |& grep <your_module_you_are_looking_for>
Area Specific Modules
EasyBuild, our software installation framework provides prefixes – at least the way we install software – for modulefiles: bio
, chem
and phys
. This classification is a bit arbitrary at times, but you can search for the respective strings and look whether your desired application is already available.
Other classes include lib
and compiler
. Of particular relevance is sometimes the lang
category, e.g. for providing scripting languages with their correct version (see for example the entries on Python, R and BioConductor and Perl).
Loading modules
Now, knowing the modules that are available you can go on by loading the module(s) you need. This will happen using the command module load [module]
or module add [module]
((They are equal. It’s yours to chose which you like more)).
Example: Maybe you want to load gcc (version 6.3.0) and OpenMPI, so you would do:
module load mpi/OpenMPI/2.0.2-GCC-6.3.0
That’s all - OpenMPI (version 2.0.2) was compiled with gcc 6.3.0 as the version string indicates, but mpicc
depends on the specific compiler (and libraries), hence gcc is also provided in the correct version.
We strongly suggest to avoid loading modules in your .bashrc
-file, because we frequently observed that this leads to conflicting environments in the long run.
Alternatives are:
- Loading modules in submission scripts and
- sourcing environment setup scripts interactively, depending on a particular workflow.
Which module is the right?
- You sometimes see
module load <category>/<entry>
– not followed by a version string. This will take the most recent version (alphabetically). - It is sufficient to load one module per application/library/scripting language.
- If in doubt contact the HPC-team.
Listing active modules
If you want to check your loaded modules, simply use module list
.
From the example above:
module list
Currently Loaded Modulefiles:
1) compiler/GCCcore/6.3.0 3) mpi/OpenMPI/2.0.2-GCC-6.3.0
2) compiler/GCC/6.3.0
Unload modules
To expel a specific module you can use the command module rm [module]
or module unload [module]
.
If you want to unload all your loaded modules, use module purge
.
Example:
module unload compiler/GCCcore/6.3.0
module purge
Footnotes
In the past we had a dynamic list of available modulefiles linked, here. This list has been removed, because it was impossible to keep track of the changed settings on two clusters. ↩︎