High Performance Libraries

Don't re-invent the wheel to achieve better performance on Shaheen. Many highly tuned libraries are installed on Shaheen and their usage is strongly recommended:

  • no need to write the same algorithms, it will improve your productivity.
  • ¬†implementations of the libraries installed are usually more efficient than if users write their own. For example, many numerical libraries are available likeCray-libsci, PETSc, FFTW, Trilinos,MKL (included in Intel module), GSL... These libraries are especially tuned for the Cray architecture, therefore are expected to produce better performance for their intended use cases.

To look for a package installed on Shaheen, use the command module avail -S name:

~> module avail -S trilinos
-------------------------------------- /opt/cray/modulefiles ---------------------------------------
cray-trilinos/11.12.1.0          cray-trilinos/11.12.1.4          cray-trilinos/12.6.3.0
cray-trilinos/11.12.1.2          cray-trilinos/11.12.1.5(default) cray-trilinos/12.6.3.1
cray-trilinos/11.12.1.3          cray-trilinos/12.2.1.0