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MADNESS (multi-resolution adaptive numerical environment for scientific simulation),
which received an R\&D 100 Award in 2011, is a general purpose numerical framework
for fast computation with guaranteed precision in many dimensions. It is portable
from laptops to the largest supercomputers and is open-source under GPL2 with active
developers/users at multiple universities and DOE laboratories across the USA, Europe,
Japan, and the UK. It started as an environment for fast and accurate numerical simulation
in chemistry, but rapidly expanded to include applications in nuclear physics, boundary
value problems, solid state physics, and atomic and molecular physics in intense laser
fields. Computations beyond 3D include time evolution in an intense laser pulse of
H$_2^+$ in 4D, and in 6D the first ever numerical computation of the MP2 energy of
a nonlinear molecule. For fast computation with guaranteed precision MADNESS employs
adaptive multiresolution algorithms and separated representations for efficient computation
in many dimensions.
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MADNESS
MADNESS (multi-resolution adaptive numerical environment for scientific simulation),
which received an R\&D 100 Award in 2011, is a general purpose numerical framework
for fast computation with guaranteed precision in many dimensions. It is portable
from laptops to the largest supercomputers and is open-source under GPL2 with active
developers/users at multiple universities and DOE laboratories across the USA, Europe,
Japan, and the UK. It started as an environment for fast and accurate numerical simulation
in chemistry, but rapidly expanded to include applications in nuclear physics, boundary
value problems, solid state physics, and atomic and molecular physics in intense laser
fields. Computations beyond 3D include time evolution in an intense laser pulse of
H$_2^+$ in 4D, and in 6D the first ever numerical computation of the MP2 energy of
a nonlinear molecule. For fast computation with guaranteed precision MADNESS employs
adaptive multiresolution algorithms and separated representations for efficient computation
in many dimensions.Prior support from NSF, DOE, and DARPA has resulted in the MADNESS parallel runtime
being a powerful environment for the composition of a wide range of parallel algorithms.
The central elements of the parallel runtime are a) futures for hiding latency and
managing dependencies, b) global namespaces with one-sided access so that applications
are composed using names or concepts central to the application, c) non-process centric
computing through remote method invocation in objects in global namespaces, d) dynamic
load balancing and data redistribution, and e) a task-based execution model optimized
for efficient execution on multi-core processors. A Boost-like serialization interface
is used for migration of general objects. Current NSF support is exploring dependency-based
programming models and utilization of advanced runtimes.
IACS RESEARCHERS
Robert J. Harrison (Lead developer)
Matthew Reuter
Hideo Sekino
Joel S. Anderson
Bryan Sundahl
Mahdi Javanmard
LICENSE
GPL2
WEBSITE
JOURNAL REFERENCE
R. J. Harrison, G. Beylkin, F. A. Bischoff, J. A. Calvin, G. I. Fann, J. Fosso-Tande,
D. Galindo, J. R. Hammond, R. Hartman-Baker, J. C. Hill, J. Jia, J. S. Kottmann, M-J.
Y. Ou, J. Pei, L. E. Ratcliff, M. G. Reuter, A. C. Richie-Halford, N. A. Romero, H.
Sekino, W. A. Shelton, B. E. Sundahl, W. S. Thornton, E. F. Valeev, Á. Vázquez-Mayagoitia,
N. Vence, T. Yanai, Y. Yukoi. “MADNESS: A Multiresolution, Adaptive Numerical Environment
for Scientific Simulation”. SIAM J. Sci. Comput., 38, S123-S142 (2016).
Institute for Advanced Computational ScienceStony Brook UniversityStony Brook, NY 11794-5250
Phone: (631) 632-4629