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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.
- 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.
- Linux workstation with Intel Core i5 2500 CPU, 8 GB RAM, 2 TB disk, and EVGA/NVIDIA GTX Titan Z GPU with 12 GB RAM and 5760 CUDA cores. Compilers: gcc and NVIDIA CUDA.
Education and Research:
- Frustrated quantum spin systems.
- First principle density functional calculations.
- Molecular biology simulations.
- James R. LaFleur (Mentor: Dr. A. Szarecka), “Computational Modeling of β5-β6 Carbapenemase Loop in Wild Type and Selected Mutants of OXA-24 Class D β-Lactamase”, defended March 2015.
Presentations (2013 - Present):
- Amy Mohr, First-principle calculations of elastic properties of crystalline solids, physics capstone project, Grand Valley State University (GVSU) 2013-2014. Work also presented as a poster during GVSU Student Scholars Days in April 2014.
- Rebekah Newman, S. Sridhar, R. Smart, W. Schroeder, A. Szarecka. “Towards understanding the Mechanism of Non-Competitive Inhibition of Telomerase”. West Michigan Undergraduate Research Conference, Van Andel Institute, Grand Rapids, MI, Nov 2014
- Katie Chernoby, S. Sridhar, B. Schroeder, R. Smart, A. Szarecka "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, Apr 2014.
Publications (2013 - Present):
- Kingshuk Majumdar and S. D. Mahanti, "Quantum Spin Fluctuations and magnons in antiferromagnetically coupled bilayers with tuneable intra-bilayer exchange - the case of Cr_2W(Te)O_6," (arXiv:1509.0010v1) (2015).
- M. Krcmar and J. R. Morris, "A comparative first-principles study of martensitic phase transformations in TiPd2 and TiPd intermetallics," J. Phys.: Condensed Matter, 26, 135401, 2014.
- 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.
- 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.