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Programming Libraries

Building blocks of modular code to extend functionality of other applications.
The AMD Core Math Library (ACML) is a set of numerical routines tuned specifically for AMD64 platform processors.
The Adaptable IO System (ADIOS) provides a simple, flexible way for scientists to describe the data in their code that may need to be written, read, or processed outside of the running simulation.
ATLAS (Automatically Tuned Linear Algebra Software) provides highly optimized Linear Algebra kernels for arbitrary cache-based architectures.
Boost is a compilation of free, peer-reviewed, portable C++ source libraries.
MPT is Cray’s MPI library. The Message-Passing Interface (MPI) supports parallel programming across a network of computer systems through a technique known as message passing.
The logically shared, distributed memory access (SHMEM) routines provide low-latency, high-bandwidth communication for use in highly parallelized scalable programs.
CUDA is a parallel computing platform and programming model that enables dramatic increases in computing performance via GPUs.
The CUDA Toolkit is a C language development environment for CUDA-enabled GPUs.
The /”Fastest Fourier Transform in the West/” (FFTW) is a C subroutine library for computing the Discrete Fourier Transform (DFT) in one or more dimensions, of both real and complex data, and of arbitrary input size.
The Global Arrays (GA) toolkit provides an efficient and portable “shared-memory” programming interface for distributed-memory computers.
HDF5 for Python (h5py) is a general-purpose Python interface to the Hierarchical Data Format library, version 5 (HDF5).
The Hierarchical Data Format version 5 (HDF5) is a data model, library, and file format for storing and managing data. It supports an unlimited variety of datatypes, and is designed for flexible and efficient I/O and for high volume and complex data.
The Hierarchical Data Format version 5 (HDF5) is a data model, library, and file format for storing and managing data. It supports an unlimited variety of datatypes, and is designed for flexible and efficient I/O and for high volume and complex data.
IOBUF is an I/O buffering library that can reduce the I/O wait time for programs that read or write large files sequentially.
LAPACK is written in Fortran 90 and provides routines for solving systems of simultaneous linear equations, least-squares solutions of linear systems of equations, eigenvalue problems, and singular value problems.
libfast is a library of high-performance math intrinsic functions. The library functions can be used in PGI, PathScale, and Cray programs. You can use these functions without changing your programs, or you can call them directly.
libLUT is the Lustre User's Toolkit support library. It provides a documented API by which Lustre meta-data may be read and/or written.
Cray LibSci is a collection of numerical routines tuned for performance on Cray XT, Cray XE, and Cray XK systems. Most users, on most codes, will find they obtain better performance by using calls to Cray LibSci routines in their applications instead of calls to public domain or user-written versions.
Cray Libsci accelerated BLAS (Basic Linear Algebra Subroutines) and LAPACK (Linear Algebra routines) routines enhance user application performance by generating and executing autotuned GPU kernels on Cray XK compute nodes. libsci_acc also provides a C API to allow pass-by-value semantics for input parameters, giving C programmers more productivity.
METIS is a set of serial programs for partitioning graphs, partitioning finite element meshes, and producing fill reducing orderings for sparse matrices.
MRNet is a customizable, high-throughput communication software system for parallel tools and applications with a master/slave architecture.
Mini-XML is a small XML parsing library that you can use to read XML and XML-like data files in your application without requiring large non-standard libraries.
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.
Libonesided/NTK 1.5.0 contains performance optimizations and extensions for third party libraries such as Global Arrays and Charm++.
NumPy is the fundamental package for scientific computing with Python.
The Open MPI Project is an open source MPI-2 implementation that is developed and maintained by a consortium of academic, research, and industry partners.
Parallel netCDF (PnetCDF) is a library providing high-performance I/O while still maintaining file-format compatibility with Unidata’s NetCDF.
Parallel Three-Dimensional Fast Fourier Transforms, dubbed P3DFFT, is a library for large-scale computer simulations on parallel platforms.
ParMETIS is an MPI-based parallel library that implements a variety of algorithms for partitioning unstructured graphs, meshes, and for computing fill-reducing orderings of sparse matrices.
PETSc is a suite of data structures and routines for the scalable (parallel) solution of scientific applications modeled by partial differential equations.
PSPLINE is a collection of Spline and Hermite interpolation tools for 1D, 2D, and 3D datasets on rectilinear grids.
SciPy is an open source library of algorithms and mathematical tools for the Python programming language that grew out of Travis Oliphant’s original collection of extension modules for Python which he released in 1999 under the name Multipack.
SPRNG is the Scalable Parallel Pseudo Random Number Generators Library. It is a set of libraries for scalable and portable pseudorandom number generation, and has been developed keeping in mind the requirements of users involved in parallel Monte Carlo simulations.
Szip compression software, providing lossless compression of scientific data, is provided with HDF software products as of HDF5 Release 1.6.0 and HDF4 Release 2.0.
The Trilinos Project develops algorithms and enabling technologies within an object-oriented software framework for the solution of large-scale, complex multi-physics engineering and scientific problems.
UDUNITS supports conversion of unit specifications between formatted and binary forms, arithmetic manipulation of units, and conversion of values between compatible scales of measurement.