Libraries on hydra

This page provides a list of the most important numerical and I/O libraries available on the IBM iDataPlex HPC System hydra at RZG.

Software is generally made available via the environment module system. The output of the command module avail provides an up-to-date list of available libraries and versions (see the section libs). Use module help <lib> for documentation and detailed usage instructions.

The libraries listed below are compatible with the standard Intel compilers available on hydra, in fact, they were compiled using the standard Intel compilers, if applicable.

Hints on how to link libraries correctly are provided on a separate page.

 

Numerical Libraries

MKL
Intel Math Kernel Library is the main workhorse for scientific computing on Intel platforms. MKL provides platform-optimized implementations of the BLAS, LAPACK, ScaLAPACK routines and other functionality. A default MKL environment module is loaded on hydra at login. It is strongly recommended to use the Intel MKL Link Line Advisor for generating link lines.
NAG
Collection of numerical algorithms for HPC. Different sequential versions of the NAG C and Fortran library for various compilers are available.
ELPA
Library for computation of selected or all eigenvalues and eigenvectors of a symmetric (Hermitian) matrix.
WSMP
Watson Sparse Matrix Package – A high performance shared-memory and distributed-memory parallel sparse linear equation solver.
FFTW
Aka the "Fastest Fourier transforms in the West/World".
PETSc
A suite of data structures and routines for the scalable (MPI-parallel) solution of scientific applications modelled by partial differential equations.
SLEPc
Library for the solution of large-scale sparse eigenvalue problems on parallel computers.
GSL
The GNU Scientific Library (GSL) is a numerical library for C and C++ programmers (the FGSL FORTRAN addon interface is installed). GSL provides a wide range of mathematical routines such as random number generators, special functions and least-squares fitting.

I/O Libraries

HDF5
HDF5 is a data model, library, and file format for storing and managing data. It supports a large variety of datatypes, and is designed for flexible and efficient I/O and for high-volume and complex data. HDF5 is portable and is extensible, allowing applications to evolve in their use of HDF5. The HDF5 Technology suite includes tools and applications for managing, manipulating, viewing, and analyzing data in the HDF5 format. Serial (to use the tools like h5ls, h5dump interactively on the login nodes) and parallel (to build applications using the library API) variants of HDF5 are available.
NetCDF
NetCDF is a set of software libraries and self-describing, machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data.

 

Miscellaneous Libraries

Boost
The Boost C++ libraries provide many classes and routines for various applications.
TBB:
Intel Threading Building Blocks. TBB enables the C++ programmer to integrate (shared-memory) parallel capability into the code.
IPP:
Intel Integrated Performance Primitives (IPP). The IPP API contains highly optimized primitive operations used for digital filtering, audio and image processing.
PAPI:
The Performance Application Programming Interface is a library for reading performance event counters in a portable way.
Perflib:
A simple library developed by the RZG for manual performance instrumentation.

 

Further references

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