Welcome to MADNESS¶
Multiresolution Adaptive Numerical Environment for Scientific Simulation
MADNESS provides a high-level environment for the solution of integral and differential equations in many dimensions using adaptive, fast methods with guaranteed precision based on multi-resolution analysis and novel separated representations. There are three main components to MADNESS. At the lowest level is a new petascale parallel programming environment that increases programmer productivity and code performance/scalability while maintaining backward compatibility with current programming tools such as MPI 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.
- Installation
- Introduction
- Warning about fast memory allocators
- Prerequisites
- Compiler variables
- Build options
- MADNESS Runtime and the Address Space Layout Randomization (ASLR)
- External libraries
- Intel Threading Building Blocks (TBB):
- Intel Math Kernel Library (MKL):
- AMD Core Math Library (ACML):
- Google Performance Tools (Gperftools):
- Libunwind:
- Library of Exchange-Correlation DFT functionals (LIBXC):
- Polarizable Conitinuum Solver (PCM):
- Performance Application Programming Interface (PAPI):
- Elemental parallel linear algebra library:
- Parallel Runtime Scheduling and Execution Controller (PaRSEC):
- Toolchain files
- Runtime
- Numerical library
- Quantum chemistry