QUEST V0.1

QUantum Electron Simulation Toolbox

Updated: Augest 2008

Introduction
Downloading and Installization
External Links
Example Programs
Copyright and License

Introduction

QUantum Electron Simulation Toolbox (QUEST) is a Fortran 90/95 package that implements the Determinant Quantum Monte Carlo (DQMC) methods for quantum electron simulations. The original version of DQMC programs, developed and maintained by Richard Scalettar, have been used for years and produced fruitful results. QUEST, the new version of DQMC simulations, serves three purposes.

To improve simulation performance: QUEST has improved the performance of simulations by using new algorithms, like delayed update, and by integrating modern numerical kernels, BLAS/LAPACK. A six to eight times speedup had been observed for medium sized simulations.
To integrate existing programs: QUEST has integrated many legacy codes by modularizing their computational components, which makes QUEST not only a single program, but a toolbox. The advantages of modularization also include the ease of maintenance and the convenience of program interfacing.
To assist new simulations development: QUEST has several desired properties for developing new simulations, such as the ability of creating new lattice geometries. Several novel simulations had been done by using QUEST.

Currently, QUEST is still under development and debug. The users' guide is avaialable here. Suggestions for imporvement and bug report please send to leech@cs.ucdavis.edu.

Downloading and Installization

QUEST is available at http://wwwcsif.cs.ucdavis.edu/~leech/dqmc/quest.tar.gz . This tarred file can be extracted by

   tar -xzf quest.tar.gz

which will create a directory

   QUEST0.1

To compile the library, please read the README file, which can also be found in the package directory.

External Links

Professor Richard Scalettar
Professor Zhaojun Bai and Lecture Notes on Advances of Numerical Methods for Quantum Monte Carlo Simulations of the Hubbard Model Technical Report CSE-2007-36, Department of Computer Science, UC Davis (Dec.4, 2007). Revised version(Feb. 25, 2008)
SciDac Project: Next Generation Multi-Scale Quantum Simulation Software for Strongly Correlated Materials. Modeling Materials at the Petascale

Example Programs

test: A simple test program for 2 dimensional square lattice.
verify: A program verifying the correctness of QUEST by examining its results against theoretical values of two special cases.
tdm: A test program for time dependent measurements.
sheet: Programs for multilayer geometry.
parallel: A test program for MPI type parallelization.
wrap: Programs for different input and output formats.
DCA: Programs for using DQMC as DCA solver.
gemo: Programs for general geometry.

Copyright and License

THIS MATERIAL IS PROVIDED AS IS, WITH ABSOLUTELY NO WARRANTY EXPRESSED OR IMPLIED. ANY USE IS AT YOUR OWN RISK.