Cray libraries¶
For the Cray libraries that are available as a modules prefixed by cray-, the compiler
wrappers will automatically take care of adding the search paths for the
include files and the libraries and provide the linker with the appropriate
options. This means that, as a user, you don't need to provide such information
to cray-libsci, cray-fftw, cray-hdf5, and cray-netcdf.
LibSci¶
module load cray-libsci
man intro_libsci
Cray LibSci is a collection of numerical routines tuned for performance on Cray systems. Most users, for most codes, will find that they obtain better performance by using Cray LibSci routines in their applications instead of using public domain or user‐written versions.
The general components of Cray LibSci are:
- BLAS: Basic Linear Algebra Subroutines
- CBLAS: C interface to the legacy BLAS
- BLACS: Basic Linear Algebra Communication Subprograms
- LAPACK: Linear Algebra routines
- ScaLAPACK: parallel Linear Algebra routines
Two libraries unique to Cray are:
-
IRT: Iterative Refinement Toolkit, a library of solvers and tools that provides solutions to linear systems using single‐precision factorizations while preserving accuracy through mixed‐precision iterative refinement.
-
CrayBLAS: a library of BLAS routines auto tuned for Cray EX series systems through extensive optimization and runtime adaptation.
Multithreaded version
The OpenMP libraries will be linked in when the OpenMP compiler flag is set.
FFTW¶
module load cray-fftw
man intro_fftw3
FFTW is a C subroutine library with Fortran interfaces for computing complex-to-complex, real-to-complex, complex-to-real, and real-to-real single and multidimensional discrete Fourier transforms (DFTs). The library also includes routines to compute discrete cosine and sine transforms (DCTs/DSTs) on even and odd data, respectively.
Multithreaded version
The OpenMP libraries will be linked in when the OpenMP compiler flag is set.
HDF5¶
module load cray-hdf5 | module load cray-hdf5-parallel
HDF5 is a data model, library, and file format for storing and managing data. It supports a variety of data types, 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.
NetCDF¶
module load cray-netcdf | module load cray-parallel-netcdf
man netcdf
NetCDF (network Common Data Form) is a set of interfaces for array-oriented data access and a freely-distributed collection of data access libraries for C, Fortran, C++, Java, and other languages. The netCDF libraries support a machine-independent format for representing scientific data. Together, the interfaces, libraries, and format support the creation, access, and sharing of scientific data.
NetCDF + HDF5¶
module load cray-netcdf-hdf5parallel