Software installed on salk.psc.edu
- AMBER, uses classical mechanics to study large molecules.
- (Blacklight, Salk)
- BLAS, routines for performing vector and matrix operations.
- (Blacklight, Salk)
- CHARMM, mechanics and dynamics of macromolecular systems. Academic and industrial users must make special arrangements for use. See the documentation for details.
- (Blacklight, Salk)
- FFTW, a C subroutine library for computing Discrete Fourier Transforms.
- (Blacklight, Salk)
- GAUSSIAN, an ab initio quantum chemistry program. Academic and industrial users must make special arrangements for use. See the documentation for details.
- (Blacklight, Salk)
- GNUPLOT, an interactive 2-and 3-D function and data plotting program.
- (Blacklight, Salk)
- GROMACS, molecular dynamics package.
- (Blacklight, Salk)
- MCELL, (Monte Carlo Cell), simulates the movements and reaction of molecules within and between cells.
- (Salk)
- MKL, Math Kernel Library, highly optimized and threaded routines for linear algebra, FFTs, vector math and random number generators.
- (Blacklight, Salk)
- MODULE, a package which provides for the dynamic modification of a user environment.
- (Blacklight, Salk)
- 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)
- NAMD, a parallel, object-oriented molecular dynamics code for the simulation of large biomolecular systems.
- (Blacklight, Salk)
- UPC, Unified Parallel C.
- (Blacklight, Salk)
