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Register a new userPolynomial Hybrid Monte Carlo algorithm for lattice QCD with an odd number of flavors
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We present a polynomial hybrid Monte Carlo (PHMC) algorithm for lattice QCD with odd numbers of flavors of O(a)-improved Wilson quark action. The algorithm makes use of the non-Hermitian Chebyshev polynomial to approximate the inverse square root of the fermion matrix required for an odd number of flavors. The systematic error from the polynomial approximation is removed by a noisy Metropolis test for which a new method is developed. Investigating the property of our PHMC algorithm in the N_f=2 QCD case, we find that it is as efficient as the conventional HMC algorithm for a moderately large lattice size (16^3 times 48) with intermediate quark masses (m_{PS}/m_V ~ 0.7-0.8). We test our odd-flavor algorithm through extensive simulations of two-flavor QCD treated as an N_f = 1+1 system, and comparing the results with those of the established algorithms for N_f=2 QCD. These tests establish that our PHMC algorithm works on a moderately large lattice size with intermediate quark masses (16^3 times 48, m_{PS}/m_V ~ 0.7-0.8). Finally we experiment with the (2+1)-flavor QCD simulation on small lattices (4^3 times 8 and 8^3 times 16), and confirm the agreement of our results with those obtained with the R algorithm and extrapolated to a zero molecular dynamics step size.
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We present a polynomial Hybrid Monte Carlo (PHMC) algorithm as an exact simulation algorithm with dynamical Kogut-Susskind fermions. The algorithm uses a Hermitian polynomial approximation for the fractional power of the KS fermion matrix. The systematic error from the polynomial approximation is removed by the Kennedy-Kuti noisy Metropolis test so that the algorithm becomes exact at a finite molecular dynamics step size. We performed numerical tests with $N_f$$=$2 case on several lattice sizes. We found that the PHMC algorithm works on a moderately large lattice of $16^4$ at $beta$$=$5.7, $m$$=$0.02 ($m_{mathrm{PS}}/m_{mathrm{V}}$$sim$0.69) with a reasonable computational time.
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Polynomial approximations to the inverse of the fermion matrix are used to filter the dynamics of the upper energy scales in HMC simulations. The use of a multiple time-scale integration scheme allows the filtered pseudofermions to be evolved using a coarse step size. We introduce a novel generalisation of the nested leapfrog which allows for far greater flexibility in the choice of time scales. We observe a reduction in the computational expense of the molecular dynamics integration of between 3--5 which improves as the quark mass decreases.
UKQCDs dynamical fermion project uses the Generalised Hybrid Monte-Carlo (GHMC) algorithm to generate QCD gauge configurations for a non-perturbatively O(a) improved Wilson action with two degenerate sea-quark flavours. We describe our implementation of the algorithm on the Cray-T3E, concentrating on issues arising from code verification and performance optimisation, such as parameter tuning, reversibility, the effect of precision, the choice of matrix inverter and the behaviour of different molecular dynamics integration schemes.
We investigate reversibility violations in the Hybrid Monte Carlo algorithm. Those violations are inevitable when computers with finite numerical precision are being used. In SU(2) gauge theory, we study the dependence of observables on the size of the reversibility violations. While we cannot find any statistically significant deviation in observables related to the simulated physical model, algorithmic specific observables signal an upper bound for reversibility violations below which simulations appear unproblematic. This empirically derived condition is independent of problem size and parameter values, at least in the range of parameters studied here.
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