Fast quantum Monte Carlo on a GPU

Published: 1 January 2015| Version 1 | DOI: 10.17632/v9gmwsz355.1
Y. Lutsyshyn


Abstract We present a scheme for the parallelization of quantum Monte Carlo method on graphical processing units, focusing on variational Monte Carlo simulation of bosonic systems. We use asynchronous execution schemes with shared memory persistence, and obtain an excellent utilization of the accelerator. The CUDA code is provided along with a package that simulates liquid helium-4. The program was benchmarked on several models of Nvidia GPU, including Fermi GTX560 and M2090, and the Kepler architectu... Title of program: QL Catalogue Id: AEUP_v1_0 Nature of problem QL package executes variational Monte Carlo for liquid helium-4 with Aziz II interaction potential and a Jastrow pair product trial wavefunction. Sampling is performed with a Metropolis scheme applied to single-particle updates. With minimal changes, the package can be applied to other bosonic fluids, given a pairwise interaction potential and a wavefunction in the form of a product of one- and two-body correlation factors. Versions of this program held in the CPC repository in Mendeley Data AEUP_v1_0; QL; 10.1016/j.cpc.2014.09.016 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)



Surface Science, Condensed Matter Physics, Computational Physics, Computational Method