Cactus is a general, modular, parallel environment for solving systems of partial differential equations. The code has been developed over many years by a large international collaboration of numerical relativity and computational science research groups and can be used to provide a portable platform for solving any system of partial differential equations.
Hoard is a scalable memory allocator (malloc replacement) for multithreaded applications. Hoard can dramatically improve your application's performance on multiprocessor machines. No changes to your source are necessary; just link it in. Hoard scales linearly up to at least 14 processors. The supported platforms include Linux, Solaris, Mac OS X, and Windows NT/2000/XP/64.
LinAl was designed to bring together C++ and FORTRAN. At the same time LinAl is supposed to be easy to use, fast, and reasonably safe. The LinAl library is based on STL techniques and uses STL containers for the storage of matrix data and STL algorithms where feasible. Low level, algebraic operators, linear solvers, and eigenvalue solvers are implemented, based on calls to BLAS, LAPACK, and CGSOLX.
TAU (Tuning and Analysis Utilities) is a set of tools for analyzing the performance of C, C++, Fortran and Java programs. It collects much more information than is available through prof or gprof, the standard Unix utilities, including per-process, per-thread, and per-host information, inclusive and exclusive function times, profiling groups that allow you to organize data collection, access to hardware counters on some systems, per-class and per-instance information, the ability to separate data for each template instantiation, start/stop timers for profiling arbitrary sections of code, and support for collection of statistics on user-defined events.
The ATLAS (Automatically Tuned Linear Algebra Software) project is an ongoing research effort focusing on applying empirical techniques in order to provide portable performance. It provides C and Fortran77 interfaces to a portably efficient BLAS implementation, as well as a few routines from LAPACK.
CFITSIO is a library of C and Fortran subroutines for reading and writing data files in the FITS (Flexible Image Transport System) data format. It simplifies the task of writing software that deals with FITS files by providing an easy to use set of high-level routines that insulate the programmer from the internal complexities of the FITS file format.
The National Space Science Data Center's (NSSDC) Common Data Format (CDF) is a self-describing data abstraction for the storage and manipulation of multidimensional data in a platform- and discipline-independent fashion. It consists of a scientific data management package (known as the "CDF Library") that allows programmers and application developers to manage and manipulate scalar, vector, and multi-dimensional data arrays.
APBS is a software package for the numerical solution of the Poisson-Boltzmann equation (PBE), one of the most popular continuum models for describing electrostatic interactions between molecular solutes in salty, aqueous media. Continuum electrostatics plays an important role in several areas of biomolecular simulation, including simulation of diffusional processes to determine ligand-protein and protein-protein binding kinetics, implicit solvent molecular dynamics of biomolecules, solvation and binding energy calculations to determine ligand-protein and protein-protein equilibrium binding constants and aid in rational drug design, and biomolecular titration studies.