High performance libraries

Various high performance libraries for dense linear algebra, fast fourier transforms etc. are available via the module system. Many libraries are provided both as single threaded and multithreaded versions, multithreaded modules are designated with omp in the module version. For pure MPI applications and applications calling libraries from multiple threads it is recommended to use a single threaded library.

Availibility of libraries may depend on the loaded compiler suite and MPI environment, use module avail for finding out available libraries. See the documentation of library for instructions on how to build against that particular library. Note that most modules set LIBRARY_PATH and LD_LIBRARY_PATH environment variables so that -llibrary linker flag is often enough. Most modules set also <library>_INSTALL_ROOT environment variables that can be utilized in custom build scripts. As an example, fftw library can be used as follows:

module load fftw
<compiler_command> -o myprog myprog.o -lfftw3

and the directory containing include, lib, etc. are found under FFTW_INSTALL_ROOT environment variable.

Libraries in Puhti

Selected libraries available in Puhti:

• Dense linear algebra: intel-oneapi-mkl
• Dense distributed linear algebra: intel-oneapi-mkl, netlib-scalapack
• Fast fourier transforms: fftw

Libraries in Mahti

Selected libraries available in Mahti:

• Dense linear algebra: openblas, amdblis, amdlibflame
• Dense distributed linear algebra: netlib-scalapack, amdscalapack
• Fast fourier transforms: fftw

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Last update: October 5, 2022

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