Software installed on warhol.psc.edu
- ABINIT, finds the total energy, charge density and electronic structure of systems of electrons and nuclei within DFT using pseudopotentials and a planewave basis.
- (Blacklight, Warhol)
- ABySS, a de novo, parallel, paired-end sequence assembler designed for short reads.
- (Blacklight, Warhol)
- AMBER, uses classical mechanics to study large molecules.
- (Blacklight, Salk, Warhol)
- ATLAS, Automatically Tuned Linear Algebra Software.
- (Warhol)
- FFTW, a C subroutine library for computing Discrete Fourier Transforms.
- (Blacklight, Salk, Warhol)
- FLUENT, a fluid dynamics solver which can model fluid flow and heat transfer in complex geometries.
- (Blacklight, Warhol)
- GAUSSIAN, an ab initio quantum chemistry program. Academic and industrial users must make special arrangements for use. See the documentation for details.
- (Blacklight, Salk, Warhol)
- GMP, the Gnu Multiple Precision Arithmetic Library
- (Blacklight, Warhol)
- GNUPLOT, an interactive 2-and 3-D function and data plotting program.
- (Blacklight, Salk, Warhol)
- GROMACS, molecular dynamics package.
- (Blacklight, Salk, Warhol)
- HDF (Hierarchical Data Format), a multi-object file format that facilitates the transfer of various types of scientific data between machines and operating systems.
- (Blacklight, Warhol)
- LS-DYNA, a general purpose transient dynamic finite element program.
- (Blacklight, Warhol)
- MKL, Math Kernel Library, highly optimized and threaded routines for linear algebra, FFTs, vector math and random number generators.
- (Blacklight, Salk, Warhol)
- MODULE, a package which provides for the dynamic modification of a user environment.
- (Blacklight, Salk, Warhol)
- MPFR, a C library for multiple-precision floating-point computations with correct rounding.
- (Blacklight, Warhol)
- MPI/ MPICH, Message Passing Interface, a communications substrate for scientific computing. MPICH, an implementation of MPI, was a joint-effort project between Argonne National Laboratories and Mississippi State University.
- (Blacklight, Salk, Warhol)
- NAMD, a parallel, object-oriented molecular dynamics code for the simulation of large biomolecular systems.
- (Blacklight, Salk, Warhol)
- OCTAVE, a high level language primarily intended for numerical computations that is mostly compatible with MATLAB.
- (Blacklight, Warhol)
- OpenFOAM, an open source finite volume CFD package.
- (Blacklight, Warhol)
- PAPI, an API for accessing hardware performance counters.
- (Blacklight, Warhol)
- PETSC, a suite of routines for the solution of large scale scientific applications modeled by partial differential equations.
- (Blacklight, Warhol)
- QT, an application development framework
- (Blacklight, Warhol)
- Quantum Espresso, an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale.
- (Blacklight, Warhol)
- TAU, Tuning and Analysis Utility.
- (Blacklight, Warhol)
