HYDRA

HYDRA is the main cluster of computers to support the theoretical and computational group of the Institute of Electronic Structure and Laser (IESL) and the Theoretical and Computational Chemistry in Crete, TCCC. The current composition of Hydra is 148 cpus with 328 GBytes memory and 2 TBytes storage disc.

The system was developed and is supported by  Manolis Giatromanolakis (gmanos@iesl.forth.gr)

TECHNICAL CHARACTERISTICS

PHASE 1 (November 2006)
    Management Node (1)
    Main system
    Sun Fire X4200
    Cpu
    2 x Dual Core AMD Opteron 280 (2,3Ghz)
    Memory
    8GB (8x1GB)
    Storage System
    Sun StorEdge 3320
    5x300GB (SAS), 2x73GB (SAS), 1.5TB
    Ethernet
    4 x 10/100/1000
    Compute Nodes (8)
    Main system
    Sun Fire X4200
    Cpu
    2 x Dual Core AMD Opteron 280 (2.3Ghz)
    Memory
    4GB (4x1GB)
    Storage System
    1x73GB (SAS
    Ethernet
    4 x 10/100/1000
PHASE 2 (November 2007)
    Compute Nodes (10)
    Main system
    Dell PowerEdge 1950
    Cpu
    2 x Quad Core Intel Xeon X5355 (2,66Ghz)
    Memory
    16GB (16x1GB)
    Storage System
    1x73GB (SAS
    Ethernet
    2 x 10/100/1000
TOTAL
    CPUs: 148 (36 x AMD Opteron 280, 112 x Intel Xeon X5355)
    Memory: 328 GBytes
    Storage: 2 TBytes
SOFTWARE
    Operational System: Linux, Distributor: Novell SLES 10 (Kernel 2.6.26) (C)
    Communication Programs: OpenMPI (O)
    Batch Queuing Program: Torque Resource Manager (O)
    Compilers: Intel C/C++/Fortran Compilers , PGI , GNU, SUN Studio
    Libraries: Numerical Recipes (C) - PETSc (O) - Lapack (O) FFTW (O) SCALAPACK (C ) , GROMACS (O) , Tinker (O), DLPOLY (O)

    O = Open software
    C = Commercial software
PROJECTS
  • Grid computing with applications in Molecular Sciences
    GRID-COMPUTING (L)
  • Molecular Potential Energy Surfaces and Clusters
    AUTO_DERIV (L)
  • Non-Linear Classical Mechanical Analysis of Molecular Systems: Periodic Orbit Multiple Shooting Algorithms
    POMULT (L)
  • Molecular Quantum Dynamics: Periodic Orbit-Assisted Grid Solutions of Time Dependent Schroedinger Equation
    POA-TDSE (L)
  • Molecular Electronic Structure Calculations (Quantum Chemistry) Packages:
    GAUSSIAN03 (C)
    MOLPRO2000 (C)
    TURBOMOLE (C)

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Last update: Wed Nov 24 16:22:51 EET 2010