Showing posts with label diffusion serial code. Show all posts
Showing posts with label diffusion serial code. Show all posts

Saturday, October 10, 2015

Running job with proper software version via modulefiles in supercomputer

Motivation

On HPC cluster (high performance computing/supercomputer), it is often to have multiple version of the same software installed. When the user want to use the specific software which the certain library, changing environment variable like $PATH manually is tedious and sometime difficult, the is the common errors during running job in HPC. To solve the problem, corresponding shell script would have to be written for multiple languages. All of these explicit steps are error prone and difficult to maintain. It is also no simple upgrade path. One exist solution is by using modulefiles, a (Unix) tool for dynamic modification of a user's environment.

Module Commands

Here are some module commands:
  • module avail: to check available modulefiles
  • module list: view current active modules
  • module purge: delete currently loaded modules
  • module load <package>: to load default module <package>
  • module load <package/version>: to load module <package> on specific version.
  • module unload <package>: unload the package
  • module show <package>: display command triggered by module load
  • module whatis <package>: display 1-line info about the module
  • module help <package>: need a help?
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