Software Available on HPC Systems

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Software Available on HPC Systems

I've been reviewing the CSR with a focus on the user's view. At OSC we have both an inventory and a webpage per package for the software on our systems.  My comments below are biased by what we provide.  

Will there be one entry in the Repository for a given package version and XSEDE system? For example, currently you have an entry for Amber 16 on Comet. But Amber 16 is likely available on other XSEDE systems. In addition, it is possible that on a given system more than one version is available. So for Amber for example, Amber 14 and 16 may be available on one system, but only Amber 16 on another. Are these all separate entries?  At OSC, we typically have one information page per package with a matrix showing what version(s) are available on which clusters. This may be difficult to maintain for XSEDE, but it is helpful for the user to quickly identify where they might want to run given the software availability.

Regarding Tags, it would be convenient to be able to filter based on tags.  Also, consider adding: GPU enabled or CUDA

If there are specifics regarding use of a package for a given system such as system specific environment variables defined for the package, module name, example batch scripts, etc..  It would be useful to include that with the package description.  Or perhaps a statement such as run 'module help <package name>' for more information on running this package on system <system name>.  TACC for example tends to have details about environment variable included in module help for their software.

Software Ratings should be available as a field you can see when you do software search. For example, if you don't know specifically what package you want to use, ratings could be helpful and on a given package information page, a button 'rate this package'.



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