Qbox: First Principles Molecular Dynamics

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Qbox First Principles Molecular Dynamics

• Treats electrons quantum mechanically
• Treats nuclii classically
• Developed at LLNL
• BG Supported provided by IBM
• Simulated 1,000 Mo atoms with 12,000 electrons
• Achieves 207.3 Teraflops sustained.
• (56.5 of peak).

Qbox simulation of the transition from a
molecular solid (top) to a quantum liquid
(bottom) that is expected to occur in hydrogen
under high pressure.
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ASTRON

• Blue Gene enables LOFAR to provide higher
  resolution and sensitivity than any other
  low-frequency radio telescope
• Digital techniques provide extreme agility in
  frequency and pointing
• Multi-beaming capability allows simultaneous,
  full-sensitivity observations in widely separated
  directions
• High-bandwidth, fiber-optic network handles
  terabits/second
• Data buffers provide powerful, multi-steradian
  look-back capability

LOFAR (LOw Frequency ARray) digitizes 10-240 MHz
signals from an array of simple omni-directional
antennas and processes the data on a central
computer system to emulate a conventional dish
antenna STELLA (Supercomputing Technology for
Linked Lofar Applications) uses 6144 dual-CPU
compute nodes of eServer Blue Gene providing
27.45 Tf/sec
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Ecole Polytechnique Fédérale de Lausanne
The first objective of the "Blue Brain Project"
is to create a cellular level, software replica
of the Neocortical Column for real-time
simulations. Blue Brain will search for new
insights into how human beings think and
remember, and how specific defects in our
circuitry may contribute to autism, schizophrenia
and Parkinson's disease. With Blue Brain,
research inquiries that used to require several
years of laboratory work can now be done in a
matter of days, or even minutes.
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BGW at IBM T.J. Watson Research Center IBM has a
team of life sciences researchers developing Blue
Matter application software used to run
simulations of protein dynamics on Blue Gene.
They are now running production science
experiments on membrane proteins. Experiments
that were taking a month or more on a
conventional system are now taking a few days on
Blue Gene.
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HOMME atmospheric modeling
Moist Held-Suarez test
BlueGene/L allows for including models of clouds
requires resolution of 1km was not feasible
before
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IBM T.J. Watson Research Center
http//www.ibm.com/servers/deepcomputing/bluegene.
html http//www-fp.mcs.anl.gov/bgconsortium/defaul
t.htm http//www.research.ibm.com/journal/rd49-23.
html http//www.top500.org
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IBM Research en el mundo
Beijing
Zurich
Watson
Almaden
Estab. 1995 Empleados 110
Estab. 1956 Empleados 210
Estab. 1961 Empleados 1750
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Tokyo
Austin
Haifa
Delhi
Estab. 1982 Empleados 180
Estab. 1995 Empleados 40
Estab. 1972 Empleados 270
Estab. 1998 Empleados 80
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Historia de Innovaciones