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- MADNESS abstract "MADNESS (Multiresolution Adaptive Numerical Environment for Scientific Simulation)is a high-level software environment for the solution of integral and differential equations in many dimensions using adaptive and fast harmonic analysis methods with guaranteed precision based on multiresolution analysisand separated representations.There are three main components to MADNESS. At the lowest level is a petascale parallel programming environmentthat aims to increases programmer productivity and code performance/scalability while maintaining backward compatibility with current programming tools such as the message-passing interface and Global Arrays. The numerical capabilities built upon the parallel tools provide a high-level environment for composing and solving numerical problems in many (1-6+) dimensions. Finally, built upon the numerical tools are new applications with initial focus upon chemistry,, atomic and molecular physics,material science, and nuclear structure. It is open source, has an object-oriented design, and is designed to be a parallel processing program for computers with up to millions of cores running already on the Cray XT5 at Oak Ridge National Laboratory and the IBM Blue Gene at Argonne National Laboratory. The small matrix multiplication (relative to large, BLAS-optimized matrices) is the primary computational kernel in MADNESS; thus, an efficient implement on modern CPUs is an ongoing research effort..Adapting the irregular computation in MADNESS to heterogeneous platforms is nontrivial due to the size of the kernel, which is too small to be offloaded via compiler directives (e.g. OpenACC), but has been demonstrated for CPU–GPU systems.Intel has publicly stated that MADNESS is one of the codes running on the Intel MIC architecturebut no performance data has been published yet.MADNESS' chemistry capability includes Hartree–Fock and density functional theory in chemistry(including analytic derivatives, response propertiesand time-dependent density functional theory with asymptotically corrected potentials)as well as nuclear density functional theoryandHartree–Fock–Bogoliubov theory.MADNESS and BigDFT are the two most widely known codes that perform DFT and TDDFT using wavelets.Many-body wavefunctions requiring six-dimensional spatial representations are also implemented(e.g. MP2).The parallel runtime inside of MADNESS has been used to implement a wide variety of features, including graph optimization.From a mathematical perspective, MADNESS emphasizes rigorous numerical precision without loss of computational performance. This is useful not only in quantum chemistry and nuclear physics, but also the modeling of partial differential equations.MADNESS was recognized by the R&D 100 Awards in 2011. It is an important code to Department of Energy supercomputing sites and is being used by both the leadership computing facilities at Argonne National Laboratoryand Oak Ridge National Laboratory to evaluate the stability and performance of their latest supercomputers. It has users around the world, including the United States and Japan.MADNESS has been a workhorse code for computational chemistry in the DOE INCITE programat the Oak Ridge Leadership Computing Facilityand is noted as one of the important codes to run on the Cray Cascade architecture.".
- MADNESS author George_Fann.
- MADNESS author Robert_J._Harrison.
- MADNESS developer Argonne_National_Laboratory.
- MADNESS developer Oak_Ridge_National_Laboratory.
- MADNESS developer Stony_Brook_University.
- MADNESS developer Virginia_Tech.
- MADNESS language C++.
- MADNESS license GNU_General_Public_License.
- MADNESS wikiPageExternalLink m-a-d-n-e-s-s.
- MADNESS wikiPageExternalLink madness.
- MADNESS wikiPageID "28789240".
- MADNESS wikiPageLength "16369".
- MADNESS wikiPageOutDegree "57".
- MADNESS wikiPageRevisionID "683158416".
- MADNESS wikiPageWikiLink Argonne_National_Laboratory.
- MADNESS wikiPageWikiLink BLAS.
- MADNESS wikiPageWikiLink Basic_Linear_Algebra_Subprograms.
- MADNESS wikiPageWikiLink BigDFT.
- MADNESS wikiPageWikiLink Blue_Gene.
- MADNESS wikiPageWikiLink Bogoliubov_transformation.
- MADNESS wikiPageWikiLink C++.
- MADNESS wikiPageWikiLink CPU.
- MADNESS wikiPageWikiLink CPUs.
- MADNESS wikiPageWikiLink Category:Computational_chemistry_software.
- MADNESS wikiPageWikiLink Category:Free_mathematics_software.
- MADNESS wikiPageWikiLink Category:Mathematical_software.
- MADNESS wikiPageWikiLink Category:Numerical_software.
- MADNESS wikiPageWikiLink Category:Parallel_computing.
- MADNESS wikiPageWikiLink Central_processing_unit.
- MADNESS wikiPageWikiLink Cray.
- MADNESS wikiPageWikiLink Cray_XT5.
- MADNESS wikiPageWikiLink Cross-platform.
- MADNESS wikiPageWikiLink Density_functional_theory.
- MADNESS wikiPageWikiLink Differential_equation.
- MADNESS wikiPageWikiLink Differential_equations.
- MADNESS wikiPageWikiLink GNU_GPL.
- MADNESS wikiPageWikiLink GNU_General_Public_License.
- MADNESS wikiPageWikiLink GPU.
- MADNESS wikiPageWikiLink George_Fann.
- MADNESS wikiPageWikiLink Global_Arrays.
- MADNESS wikiPageWikiLink Google_Code.
- MADNESS wikiPageWikiLink Google_Developers.
- MADNESS wikiPageWikiLink Graphics_processing_unit.
- MADNESS wikiPageWikiLink Hartree–Fock.
- MADNESS wikiPageWikiLink Hartree–Fock_method.
- MADNESS wikiPageWikiLink IBM_Blue_Gene.
- MADNESS wikiPageWikiLink INCITE.
- MADNESS wikiPageWikiLink Integral_equation.
- MADNESS wikiPageWikiLink Integral_equations.
- MADNESS wikiPageWikiLink Intel_MIC.
- MADNESS wikiPageWikiLink List_of_numerical_analysis_software.
- MADNESS wikiPageWikiLink List_of_quantum_chemistry_and_solid-state_physics_software.
- MADNESS wikiPageWikiLink List_of_quantum_chemistry_and_solid_state_physics_software.
- MADNESS wikiPageWikiLink Matrix_multiplication.
- MADNESS wikiPageWikiLink Message_Passing_Interface.
- MADNESS wikiPageWikiLink Multiresolution_analysis.
- MADNESS wikiPageWikiLink Numerical_analysis.
- MADNESS wikiPageWikiLink Oak_Ridge_Leadership_Computing_Facility.
- MADNESS wikiPageWikiLink Oak_Ridge_National_Laboratory.
- MADNESS wikiPageWikiLink Object-oriented.
- MADNESS wikiPageWikiLink Object-oriented_programming.
- MADNESS wikiPageWikiLink OpenACC.
- MADNESS wikiPageWikiLink Open_source.
- MADNESS wikiPageWikiLink Parallel_computing.
- MADNESS wikiPageWikiLink Parallel_programming.
- MADNESS wikiPageWikiLink Partial_differential_equation.
- MADNESS wikiPageWikiLink Partial_differential_equations.
- MADNESS wikiPageWikiLink Petascale.
- MADNESS wikiPageWikiLink Petascale_computing.
- MADNESS wikiPageWikiLink R&D_100_Awards.
- MADNESS wikiPageWikiLink Robert_J._Harrison.
- MADNESS wikiPageWikiLink Stony_Brook_University.
- MADNESS wikiPageWikiLink TDDFT.
- MADNESS wikiPageWikiLink Time-dependent_density_functional_theory.
- MADNESS wikiPageWikiLink United_States_Department_of_Energy.
- MADNESS wikiPageWikiLink Virginia_Tech.
- MADNESS wikiPageWikiLink Xeon_Phi.
- MADNESS wikiPageWikiLinkText "MADNESS".
- MADNESS author George_Fann.
- MADNESS author Robert_J._Harrison.
- MADNESS developer Argonne_National_Laboratory.
- MADNESS developer Oak_Ridge_National_Laboratory.
- MADNESS developer Stony_Brook_University.
- MADNESS developer Virginia_Tech.
- MADNESS genre "Scientific simulation software".
- MADNESS hasPhotoCollection MADNESS.
- MADNESS language C++.
- MADNESS license "GNU GPL v2".
- MADNESS name "MADNESS".
- MADNESS operatingSystem Cross-platform.
- MADNESS released "Forthcoming".
- MADNESS sourceModel Open_source.
- MADNESS wikiPageUsesTemplate Template:Infobox_software.
- MADNESS wikiPageUsesTemplate Template:Portal.
- MADNESS wikiPageUsesTemplate Template:Reflist.
- MADNESS subject Category:Computational_chemistry_software.
- MADNESS subject Category:Free_mathematics_software.
- MADNESS subject Category:Mathematical_software.
- MADNESS subject Category:Numerical_software.