PROJECT

DCO Computer Cluster

Overview

Now installed at Rensselaer Polytechnic Institute in Troy, NY, USA, the DCO Computer Cluster comprises a PSSC Labs PowerWulf MMx Cluster with 640 Intel® Xeon® 2.4 GHz Compute Processor Cores and 544GB System Memory - 1GB Memory Per Compute Processor Core. The cluster (accessed via deepcarbon.rpi.edu) has 154TB of System Storage, a high-speed internal InfiniBand network, and a fast backup system. Providing all DCO Communities with state-of-the-art computer power for performing a wide range of calculations, the Linux cluster can run a variety of scientific programs aimed at modeling chemical and physical processes in deep Earth and carrying out data analyses. The cluster is currently managed by a team of DCO representatives under the technical guidance of Peter Fox, the DCO Data Science Team Leader, with scientific oversight from the Extreme Physics and Chemistry Community. Access to the cluster is available to all DCO researchers to use for targeted investigations. See this page for more information regarding access including the allocation request form. Questions about the DCO Computer Cluster may be directed to computer_request@deepcarbon.net.

Making high-end computational services available to DCO collaborators was identified as a critical issue for addressing DCO’s decadal goals. Soon after the DCO was launched, a clear consensus emerged that it should have its own computation center with a dedicated cluster that would enable it to organize and prioritize computational runs for DCO needs, without the long waiting times involved at national facilities. From chemical and physical modeling to genomic analyses, the DCO Computer Cluster can run numerous software packages and scientific programs for theoretical calculations of C-bearing phase structures and properties, geodynamics calculations, thermochemical modeling, and other computations.

Principal Investigator

  • Peter Fox
    Peter Fox Rensselaer Polytechnic Institute, USA
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    Peter Fox
    Peter Fox
    Rensselaer Polytechnic Institute, USA

    Dr. Peter Fox is professor and Tetherless World Research Constellation chair at Rensselaer Polytechnic Institute in Troy, New York. Fox's research and education agenda covers the fields of data science and analytics, ocean and environmental informatics, materials informatics, computational logic, semantic Web, cognitive bias, semantic data frameworks, and solar and solar-terrestrial physics. Fox works to ensure that his is research is applied to large-scale distributed networks and data science collaborations. Fox leads DCO’s Data Science Team and is a member of Synthesis Group 2019.

Publications

Pan D and Galli G (2016) The fate of carbon dioxide in water-rich fluids under extreme conditions. Science Advances 2:e1601278

Patankar S, Gautam S, Rother G, Podlesnyak A, Ehlers G, Liu T, Cole DR, Tomasko DL (2016) Role of Confinement on Adsorption and Dynamics of Ethane and an Ethane–CO2 Mixture in Mesoporous CPG Silica. The Journal of Physical Chemistry C 120(9):4843-4853

Gautam S, Tingting L, Patankar S, Tomasko D, Cole D (2016) Location dependent orientational structure and dynamics of ethane in ZSM5. Chemical Physics Letters 648:130-136

Boulard E, Pan D, Galli G, Liu Z, Mao W (2015) Tetrahedrally coordinated carbonates in Earth’s lower mantle. Nature Communications 6(6311)

Gautam S, Cole DR (2015) Molecular dynamics simulation study of meso-confined propane in TiO2. Chemical Physics 458:68-76

Pan D, Wan Q, Galli G (2014) The refractive index and electronic gap of water and ice increase with increasing pressure. Nature Communications 5(3919)

Presentations

Gautam S, Liu T, Rother G, Jalarvo N, Mamontov E, Welch S, Cole D (2014) Effect of temperature and pressure on the dynamics of nanoconfined propane. AIP Conference Proceedings 1591:1353-1355

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