Universidad Politécnica de Madrid - Magerit Node

From AnnualReport

Overview

Magerit Supercomputer

CeSViMa (Supercomputing and Visualization Center of Madrid, in Spanish Centro de Supercomputación y Visualización de Madrid) is located in the Montegancedo Campus, one of the sites of the Technical University of Madrid Science & Technology Park. CeSViMa, which is member of the Spanish Supercomputing Network (RES), Spanish e-Science Network and Madrid Laboratories and Infraestructures Network, focuses on three main objectives:

• High Performance Computing
• Advanced Interactive Visualisation
• Mass Storage

Magerit (an ancient name of Madrid) is the name of CeSViMa's supercomputer. Magerit is a cluster of 1204 nodes (1036 eServer BladeCenter JS20 and 168 eServer BladeCenter JS21), that totals 2744 CPUs with 192 TB of storage. All components are interconnected with low latency myrinet network and high bandwidth ethernet network.

When installed, Margerit held 2nd place for Spanish supercomputers in the TOP500 list (November 2006, 2^nd in Spain, 9^th in Europe and 34^th of the world). It held 275^th place in the first GREEN500 list of most environmentally friendly supercomputers (November 2007).

Organisational Structure

From left to right: Borja Chocarro, Rubén Galeano, Oscar Lozano, Oscar Cubo, Andrés Marín, Fernando Limón, Vicente Martín, María S. Pérez-Hernández, José María Peña, Pilar Flores and Jorge Guerra.

During 2010 the organisation of the CeSViMa changed radically: new management structure, new position within the UPM's organisational structure... In late 2010, a new management group took over control of CeSViMa.

Technical and Scientific Highlights 2010

In 2010 the Magerit supercomputer achived an average load of more than 80% with 24x7 availability. This represents a provision of 20,480,000 CPU hours. Projects allocated via the RES access committee used near 13,000,000 CPU hours (63.5% of the total provisioned hours) while the rest were asigned by local access committee.

Key Publications 2010

• A Debayle, J.J. Honrubia, E. d\’Humieres and V.T. Tikhonchuk, “Divergence of laser-driven electron beams”. Physical Review E, 2010

• A. Debayle, J.J Honrubia, E. d\’Humieres, V.T. Tikhonchuk, S. Micheau and M. Geissler, “Integrated simulations of ignition scale fusion targets for the HiPER project”. Journalof Physics: Conference Series, 2010

• A. Debayle, J.J. Honrubia, E.D. dHumieres, V.T. Tikonchuk, S. Micheau and M. Geissler, “Integrated simulations of ignition scale fusion targets”. Journal of Physics: Conf. Series, 2010

• Aguilera, I. and Palacios, P. and Sánchez, K. and Wahnón, P., “Theoretical optoelectronic analysis of MgIn2S4 and CdIn2S4 thiospinels: Effect of transition-metal substitution in intermediate-”. Phys. Rev. B, 2010

• D. Elkouss, J. Martínez, D. Lancho, and V. Martín, “Rate Compatible Protocol for Information Reconciliation: An application to QKD”. IEEE Information Theory Workshop, 2010

• David Elkouss, Jesus Martinez-Mateo, Daniel Lancho and Vicente Martin, “Rate Compatible Protocol for Information Reconciliation: An application to QKD”. arXiv:1006.2660v1 [cs.IT], 2010

• Gonzalo Otero and Giulio Biddau and Taisuke Ozaki and Berta Gomez-Lor and Javier Mendez and Ruben Perez and Jose A. Martin-Gago, “Surface enantiomeric recognition of PAHs”. Chemistry a European Journal, 2010

• Gregory N. Toepperwein, Nikos Ch. Karayiannis, Robert A. Riggleman, Juan J. de Pablo and Martin Kroger, “Influence of Nanorod Inclusions on Structure and Primitive Path Network of Polymer Nanocomposites at Equilibrium and Under Deform”. Macromolecules, 2010

• I. Aguilera AND P. Palacios AND P. Wahnón, “Enhancement of optical absorption in Ga-chalcopyrite-based intermediate-band materials for high efficiency solar cells”. Solar Energy Material and Solar Cells, 2010

• J. L. Prieto AND P. Ilg AND R. Bermejo AND M. Laso, “Stochastic semi-Lagrangian micro-macro calculations of liquid crystalline solutions in complex flows”. Journal Non-Newtonian Fluid Mechanics, 2010

• J. L. Prieto AND R. Bermejo AND M. Laso, “A semi-Lagrangian micro-macro method for viscoelastic flow calculations”. Journal Non-Newtonian Fluid Mechanics, 2010

• J.J. Honrubia, J.C. Fernández, M. Temporal, M. Hegelich and J. Meyer-ter-Vehn, “Fast ignition by laser-driven carbon beams”. Journal of Physics: Conference Series, 2010

• K. Foteinopoulou AND M. Laso, “Numerical Simulation of Bubble Dynamics in a Phan-Thien Tanner liquid: Non-linear shape and size oscillatory response under peri”. Ultrasonics, 2010

• K. Sánchez And I. Aguilera AND P. Palacios AND P. Wahnón, “Active Materials Base don Implanted Si for Obtaining Intermediate Band Solar Cells”. Advances in Science and Technology, 2010

• K. Sanchez AND I. Aguilera AND P. Palacios AND P. Wahnón, “Formation of a reliable intermediate band in Si heavily co-implanted with chalcogens (S, Se, Te) and group III elements (B, Al)”. Physical Review B, 2010

• Kamiński, Wojciech and Perez, Ruben, “Mechanical Response and Energy-Dissipation Processes in Oligothiophene Monolayers Studied with First-Principles Simulations”. Tribology Letters, 2010

• Nikos Ch. Karayiannis, Katerina Foteinopoulou and Manuel Laso, “Modeling of Crystal Nucleation and Growth in Athermal Polymers: Self-Assembly of Layered Nano-Morphologies”. Soft Matter, 2010

• Nikos Ch. Karayiannis, Katerina Foteinopoulou, Cameron F. Abrams and Manuel Laso, “Modeling of Crystal Nucleation and Growth in Athermal Polymers: Self-Assembly of Layered Nano-Morphologies”. Soft Matter, 2010

• P. Palacios, I. Aguilera, P. Wahnón, “Electronic structure and optical properties in ZnO:M (Co,Cd). Effect of band–gap variation”. Thin Solid Films, 2010

• P. Wahnon, I. Aguilera, P. Palacios and K. Sanchez, “First-principles Calculations of Complex Intermediate Band Materials for Photovoltaic Devices,”. Advanced Nanostructured Solar Cells, edited by Mater. Res. Soc. Symp. Proc., 2010

• Rodríguez, Daniel; Theofilis, Vassilios, “On the origin of stall cells on airfoils”. Theoretical Computational Fluid Dynamics, 2010

• S.Cuesta-Lopez AND J.M. Perlado, “ATOMISTIC VIEW OF SHOCK WAVE PROPAGATION IN MATERIALS”. HiPER TECNICAL REPORTS. HiPER Project. ESFRI., 2010

• S.Cuesta-Lopez AND M.Victoria AND J.M. Perlado, “Modeling Advanced Materials for Nuclear Fusion Technology”. IAEA. Fusion Energy Conference (FEC) 2010 in Daejon., 2010

• S.Cuesta-Lopez AND M.Victoria AND J.M. Perlado, “Modeling Advanced Materials for Nuclear Fusion Technology”. Nuclear Fusion. Invited Paper - In Press, 2010

Key Projects 2010

In addition to computing time dedicated to the RES, Magerit also provided support to numerous local research projects during 2010:

Visualization of a cortex column with 10000 neurons grouped by layers: neuron forest (left), somas(center), detail of the forest at the second layer (right). (image: CajalBBP)

STM image of the C60H30 PAHs deposited on a Pt(111) surface. Inset: STM image showing a detail of two molecules. The white arrow indicates the [1-10] surface crystallographic direction. Bias voltage and tunnel current are 750 mV and 0.2 nA, respectively. (image: Gonzalo Otero, et al)

Brain affected by Alzheimer's (image: CajalBBP)

(a) top view, highlighting the areas of the molecule that dominate the STM contrast (b) side view (perspective). The STM tip follows the isosurface, resulting in a corrugation (difference in height between the central area and the outer rings) of 0.7 Å(image: Gonzalo Otero, et al)