H2P Application Environment

Application environment

Lmod will be used by cluster administrators to provide optimized builds of commonly used software. Applications are available to users through the Lmod modular environment commands. There are no default modules loaded when you log in.

Installed packages

To find the module you are looking for, simply use the spider command that Lmod offers:

$ module spider intel

you find two versions of intel compilers. Be aware which version has the compatibility with your code and load the one you need accordingly. There is also another module with “intel” in the module name. You can find all the possibilities of having the word “intel” in the name of the modules by:

module -r spider '.*intel.*'

If you need a MPI version of the intel compilers, the

intel-mpi: intel-mpi/2017.3.196

is the version you need.

For safety, Lmod allows only one version of the package to be available. So if a user does:

$ module load intel/2011.12.361
$ module load intel/2017.1.132

First, intel 2011 version will be loaded, second the intel 2017 will be loaded so it unloads the 2011 version.

To unload a module a user simply does

$ module unload package1 package2 ...

To unload all modules a user simply does

$ module purge

In the example below I have loaded intel and intel-mpi modules as prerequisits to load the vasp package. The executables, such as vasp_std, vasp_std,vasp_gamand vasp_ncl are now in my PATH.

[shs159@login1 ~]$ module load vasp
Lmod has detected the following error: These module(s) exist but cannot be loaded as
requested: "vasp"

 Try: "module spider vasp" to see how to load the module(s).

[shs159@login1 ~]$ module load intel/2017.1.132
[shs159@login1 ~]$ module load intel-mpi/2017.1.132
[shs159@login1 ~]$ module load vasp
vasp vasp/5.4.1 vasp-vtst vasp-vtst/5.4.1
[shs159@login1 ~]$ module load vasp/5.4.1
[shs159@login1 ~]$ vasp_
vasp_gam vasp_ncl vasp_std

You can check which modules are “loaded” in your environment by using the command module list

[shs159@login1 ~]$ module list

Currently Loaded Modules:
 1) intel/2017.1.132 2) intel-mpi/2017.1.132 3) vasp/5.4.1