TY - GEN
T1 - Taking a quantum leap in time to solution for simulations of high-Tc superconductors
AU - Staar, Peter
AU - Maier, Thomas A.
AU - Solca, Raffaele
AU - Fourestey, Gilles
AU - Summers, Michael S.
AU - Schulthess, Thomas C.
PY - 2013
Y1 - 2013
N2 - We present a new quantum cluster algorithm to simulate models of high-Tc superconductors. This algorithm extends current methods with continuous lattice self-energies, thereby removing artificial long-range correlations. This cures the fermionic sign problem in the underlying quantum Monte Carlo solver for large clusters and realistic values of the Coulomb interaction in the entire temperature range of interest. We find that the new algorithm improves time-tosolution by nine orders of magnitude compared to current, state of the art quantum cluster simulations. An efficient implementation is given, which ports to multi-core as well as hybrid CPU-GPU systems. Running on 18,600 nodes on ORNL's Titan supercomputer enables us to compute a converged value of Tc=t = 0:053-0:0014 for a 28 site cluster in the 2D Hubbard model with U=t = 7 at 10% hole doping. Typical simulations on Titan sustain between 9.2 and 15.4 petaops (double precision measured over full run), depending on configuration and parameters used.
AB - We present a new quantum cluster algorithm to simulate models of high-Tc superconductors. This algorithm extends current methods with continuous lattice self-energies, thereby removing artificial long-range correlations. This cures the fermionic sign problem in the underlying quantum Monte Carlo solver for large clusters and realistic values of the Coulomb interaction in the entire temperature range of interest. We find that the new algorithm improves time-tosolution by nine orders of magnitude compared to current, state of the art quantum cluster simulations. An efficient implementation is given, which ports to multi-core as well as hybrid CPU-GPU systems. Running on 18,600 nodes on ORNL's Titan supercomputer enables us to compute a converged value of Tc=t = 0:053-0:0014 for a 28 site cluster in the 2D Hubbard model with U=t = 7 at 10% hole doping. Typical simulations on Titan sustain between 9.2 and 15.4 petaops (double precision measured over full run), depending on configuration and parameters used.
UR - http://www.scopus.com/inward/record.url?scp=84899688231&partnerID=8YFLogxK
U2 - 10.1145/2503210.2503282
DO - 10.1145/2503210.2503282
M3 - Conference contribution
AN - SCOPUS:84899688231
SN - 9781450323789
T3 - International Conference for High Performance Computing, Networking, Storage and Analysis, SC
BT - Proceedings of SC 2013
PB - IEEE Computer Society
T2 - 2013 International Conference for High Performance Computing, Networking, Storage and Analysis, SC 2013
Y2 - 17 November 2013 through 22 November 2013
ER -