Resources

Systems Administration

Concave: An SGI Origin 3000 Model 3400 with 32 R12000 processors, 16 GB of RAM, 
and 1 TB of high-performance RAID storage.  This system is ideal for applications 
that can make use of large numbers of highly interconnected processors, large 
amounts of RAM, or very fast disk storage.  In requesting accounts on Concave one 
should only consider those applications that have large memory demands or require 
parallel processing.
 
Software available on the Concave system includes AVS/Express, Mathematica, and 
Matlab. SGI compilers are available for the following languages: C, C++, Fortran77
and Fortran90.  In addition to the bundled SCS numerical libraries  (which provide
optimized BLAS kernels), the IMSL library is also installed.  

 
Molecular Modeling: Numerous application programs are also available on Concave for
genomics, proteomics and general molecular modeling. Genomics is supported by the 
GCG package with sequence  databases; proteomics with several molecular simulation 
packages (e.g.,  Charmm, Amber, NAMD, Gromacs), supported by the Molecular Modeling 
Core, a mirror of the Protein Data Bank (PDB), docking programs (e.g., Dock, Autodock), 
and several programs written for various analyses (e.g., DSSP, Curves, MD Toolchest). 
Molecular modeling programs that run (mostly) on SGI's include the commercial packages 
InsightII form Accelrys, Sybyl form Tripos, and several academic programs (e.g., Grasp, 
Rasmol, Molmol, VMD).
 
For further information contact Dr. Mihaly Mezei ext. 42186) mezei@inka.mssm.edu