High Performance Computing Cluster

Supported by the National Science Foundation (NSF) Grant No. CNS-1228291.

Project PI: Dr. K. Majumdar (Physics), Co-PI: Drs. M. Krcmar (Physics), A. Szarecka (CMB), and D. Furton (Physics).

Cluster In-Charge: Dr. Doug Furton.

Cluster Details:

  • Dell/RHEL/Rocks+ Cluster. Runs at 3.0 TFLOPS (measured against the HPLinpack benchmark).
  • Operating system: RHEL Server 6.2 with StackIQ Rocks+ 6.0.1 cluster management software and Sun Grid Engine (SGE) job scheduler.
  • Head node: Dell PowerEdge R720 with dual E5-2620 2.0GHz, 15M Cache, hex-core CPUs, 64GB RAM and 4TB disk (RAID 5).
  • Compute nodes (16): Dell PowerEdge R420 with dual E5-2430 2.2GHz, 15M Cache, hex-core CPUs, 24GB Ram and 500MB disk.
  • Connectivity: Dell 5524 GbE and Intel True Scale Fabric Infiniband Switch 12300-BS18.
  • GCC version 4.4.6 20110731 (Red Hat 4.4.6-3) and Python 2.6.6 installed.

Front View of Cluster

Back View of Cluster

 

Education and Research:

  • Frustrated quantum spin systems.
  • First principle density functional calculations.
  • Molecular biology simulations.

Presentations (2013 - Present):

  1. Amy Mohr (Mentor: Dr. M. Krcmar), "First-principles calculations of elastic properties of crystalline solids," Student Scholarship Day, GVSU, April 9, 2014.
  2. Katie Chernoby (Mentors: Drs. A. Szarecka, B. Schroeder, R. Smart, S. Sridhar),"Mechanism of Telomerase Inhibition by Novel Non-nucleosidic Drug Candidates: Application of a Genetic Algorithm to Improve the Accuracy of Ligand Docking Simulations,"Student Scholarship Day, GVSU, April 9, 2014.

Publications (2013 - Present):

  1. M. Krcmar and J. R. Morris, "A comparative first-principles study of martensitic phase transformations in TiPd2 and TiPd intermetallics," J. Phys.: Condens. Matter, 26, 135401, 2014.
  2. M. Krcmar and C. L. Fu, "Effect of lattice anharmonicity in the structural phase transformation of Laves phase HfV2 alloy: A first-principles investigation," Acta Materialia, 61, Issue 19, Pages 7473-7480, 2013.
  3. G.S. Uhrig and Kingshuk Majumdar, "Varied Perturbation Theory for the Dispersion Dip in the Two-Dimensional Heisenberg Quantum Antiferromagnet," Eur. Phys. J. B 86: 282, 2013.