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Multiscale  reaction engineering and materials synthesis  

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The Vlachos research group maintains two Beowulf clusters, grendel and spongebob, which have a total of 103 Processors, 96 of which are used for computation. Assuming two floating point operations per clock cycle, we can perform 464 GigaFLOPS. We have over 2 terrabytes of storage shared between two fileservers.

Grendel

Overview

  • Master node: 1.8Ghz Pentium Xeon, 2 GB RAM
  • 16 Single Processor Computational Nodes: 1.8Ghz Pentium Xeon, 1 GB RAM
  • 22 Dual Processor Computationals Nodes: 2.4Ghz Pentium Xeon, 2 GB RAM
  • File Server: Dual Processor 2.6Ghz Pentium Xeon, 2 GB RAM

Storage

  • Master node: 120GB ATA133 Drive
  • 16 Single Processor Computational Nodes: 20GB
  • 22 Dual Processor Computationals Nodes: 40GB
  • File Server: 1.6TB (12x160GB) SATA HDs, arranged in a RAID5 Array connected through a PCI-X bus

Networking

  • Master node: 1 100BaseT connection, 1 1000BaseT connection
  • 16 Single Processor Computational Nodes: 100BaseT connection
  • 22 Dual Processor Computationals Nodes: 1000BaseT connected to 24 port 1000BaseT switch
  • File Server: 2 1000BaseT connections

Software

  • SUSE Linux 9.1
  • OpenPBS 2.3.16
  • PGI Workstation 4.0-2
  • Intel Fortran Compiler 7.0
  • LAM-MPI 6.5.1, and MPICH 1.2.5
  • Dacapo 2.7.1
  • Gaussian 98/03
  • Matlab 6.5
  • Fluent 6.1.12
  • Gambit 2.1
  • Femlab 3.0

Spongebob

Overview

  • Master node: 2.8Ghz Pentium Xeon, 2 GB RAM
  • 18 Single Dual Processor Computationals Nodes: 2.8Ghz Pentium Xeon, 2 GB RAM File
  • Server: Dual Processor 2.8Ghz Pentium Xeon, 2 GB RAM

Storage

  • Master node: 80GB ATA166 Drive
  • 18 Dual Processor Computationals Nodes: 30GB
  • File Server: 0.5TB (6x120GB) SATA HDs, arranged in a RAID5 Array connected through a PCI-X bus

Networking

Entire network is 1000BaseT through single 1000BaseT switch

Software

  • Redhat Linux 7.3 (Master node: 2.4.20-28.7smp)
  • OpenPBS 2.3.16
  • PGI Workstation 5.1
  • LAM-MPI 6.5.1
  • Dacapo 2.7.1
  • Fluent 6.1.12
  • Gambit 2.1

Recent Publications

J. A. Federici and D. G. Vlachos (2008) "A computational fluid dynamics study of propane/air microflame stability in a heat recirculation reactor" Combustion and Flame 153(1-2), 258-269.

N. S. Kaisare, S. R. Deshmukh and D. G. Vlachos (2008) "Stability and performance of catalytic microreactors: Simulations of propane catalytic combustion on Pt" Chemical Engineering Science 63(4), 1098-1116.

A. M. Karim, J. A. Federici and D. G. Vlachos (2008) "Portable power production from methanol in an integrated thermoeletric/microreactor system" Journal of Power Sources 179(1), 113-120.

M. Maestri, A. Beretta, T. Faravelli, G. Groppi, E. Tronconi and D. G. Vlachos (2008) "Two-dimensional detailed modeling of fuel-rich H-2 combustion over Rh/Al2O3 catalyst" Chemical Engineering Science 63(10), 2657-2669.

Snyder, D. G. Vlachos and V. Nikolakis (2007) "Quantitative analysis of membrane morphology, microstructure, and polycrystallinity via laser scanning confocal microscopy: Application to NaX zeolite membranes" Journal of Membrane Science 290(1-2), 1-18.

S. Caratzoulas and D. G. Vlachos (2008) "Molecular dynamics study of the stabilization of the silica hexamer Si6O156- in aqueous and methanolic solutions" Journal of Physical Chemistry B 112(1), 7-10.

G. Mpourmpakis and D. G. Vlachos (2008) "Insights into the early stages of metal nanoparticle formation via first-principle calculations: the roles of citrate and water" Langmuir 24(14), 7465-7473.
  Page last updated on 14 Oct 2009 by Vinit Choudhary
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