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Engineering Computational Linux Cluster

Software:

  • The OS is Linux Red Hat 7.3.
  • Computational resources are managed by Sun Grid Engine (SGE) 5.3 queue system
  • Installation and software management is done by Kickstart, DSH, RSYNC, shell scripts.

    Compilers installed:
    • GNU gcc-2.95.3 and gcc-3.3.2
    • IA32 Intel 6.0 C++ and Fortran 90/95 (icc and ifc)
    • PGI 5.1-6 C/C++, F77/F90 (pgcc, pgCC, pgf77, pgf90).
      OpenMP support is included in PGI for parallelization on SMP nodes.
  • NAG Math libraries
  • Matlab 6.5
  • MPI for parallel simulations, mpich-1.2.5.2
  • AeroSoft GASP 410, 420
  • NAMD 2.5 and VMD
  • AMBER 7
  • FLUENT
  • GROMACS

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