Sciblade - Software

1. Operating System
   • ROCKS 5.1 Cluster OS
   • CentOS 5.3 kernel 2.6.18
2. Job Management System
   • OpenPBS/Torque Job queuing system
   • MAUI scheduler
3. Compilers, Languages
   • Intel Fortran/C/C++ Compiler for Linux V11
   • Intel Cluster Studio 2011 for Linux V11
   • GNU 4.1.2/4.4.0 Fortran/C/C++ Compiler
4. Mathematic libraries
   • ATLAS 3.8.3
   • FFTW 2.1.5/3.2.1
   • SPRNG 2.0a(C/Fortran) /4.0(C++/Fortran)
5. Message Passing Interface (MPI) Libraries
   • MVAPICH 1.1
   • MVAPICH2 1.2
   • OPEN MPI 1.3.2
6. Third-party Applications
   • AMBER 9
   • FDTD software
   • GAUSSIAN 03 (registration needed)
   • GAUSSIAN 09 (registration needed)
   • GROMACS 4.0.7
   • LAMMPS
   • MATLAB 2008b
   • NAMD 2.5.1
   • SIESTA 3.0b
   • TAU 2.18.2
   • VisIt 1.11.2
   • VMD 1.8.6
   • Xmgrace 5.1.22