61 research outputs found
Application of block Krylov subspace algorithms to the Wilson-Dirac equation with multiple right-hand sides in lattice QCD
It is well known that the block Krylov subspace solvers work efficiently for
some cases of the solution of differential equations with multiple right-hand
sides. In lattice QCD calculation of physical quantities on a given
configuration demands us to solve the Dirac equation with multiple sources. We
show that a new block Krylov subspace algorithm recently proposed by the
authors reduces the computational cost significantly without loosing numerical
accuracy for the solution of the O(a)-improved Wilson-Dirac equation.Comment: 12 pages, 5 figure
Deflated GMRES for Systems with Multiple Shifts and Multiple Right-Hand Sides
We consider solution of multiply shifted systems of nonsymmetric linear
equations, possibly also with multiple right-hand sides. First, for a single
right-hand side, the matrix is shifted by several multiples of the identity.
Such problems arise in a number of applications, including lattice quantum
chromodynamics where the matrices are complex and non-Hermitian. Some Krylov
iterative methods such as GMRES and BiCGStab have been used to solve multiply
shifted systems for about the cost of solving just one system. Restarted GMRES
can be improved by deflating eigenvalues for matrices that have a few small
eigenvalues. We show that a particular deflated method, GMRES-DR, can be
applied to multiply shifted systems. In quantum chromodynamics, it is common to
have multiple right-hand sides with multiple shifts for each right-hand side.
We develop a method that efficiently solves the multiple right-hand sides by
using a deflated version of GMRES and yet keeps costs for all of the multiply
shifted systems close to those for one shift. An example is given showing this
can be extremely effective with a quantum chromodynamics matrix.Comment: 19 pages, 9 figure
A numerical method to compute derivatives of functions of large complex matrices and its application to the overlap Dirac operator at finite chemical potential
We present a method for the numerical calculation of derivatives of functions
of general complex matrices. The method can be used in combination with any
algorithm that evaluates or approximates the desired matrix function, in
particular with implicit Krylov-Ritz-type approximations. An important use case
for the method is the evaluation of the overlap Dirac operator in lattice
Quantum Chromodynamics (QCD) at finite chemical potential, which requires the
application of the sign function of a non-Hermitian matrix to some source
vector. While the sign function of non-Hermitian matrices in practice cannot be
efficiently approximated with source-independent polynomials or rational
functions, sufficiently good approximating polynomials can still be constructed
for each particular source vector. Our method allows for an efficient
calculation of the derivatives of such implicit approximations with respect to
the gauge field or other external parameters, which is necessary for the
calculation of conserved lattice currents or the fermionic force in Hybrid
Monte-Carlo or Langevin simulations. We also give an explicit deflation
prescription for the case when one knows several eigenvalues and eigenvectors
of the matrix being the argument of the differentiated function. We test the
method for the two-sided Lanczos approximation of the finite-density overlap
Dirac operator on realistic gauge field configurations on lattices with
sizes as large as and .Comment: 26 pages elsarticle style, 5 figures minor text changes, journal
versio
Deflated Iterative Methods for Linear Equations with Multiple Right-Hand Sides
A new approach is discussed for solving large nonsymmetric systems of linear
equations with multiple right-hand sides. The first system is solved with a
deflated GMRES method that generates eigenvector information at the same time
that the linear equations are solved. Subsequent systems are solved by
combining restarted GMRES with a projection over the previously determined
eigenvectors. This approach offers an alternative to block methods, and it can
also be combined with a block method. It is useful when there are a limited
number of small eigenvalues that slow the convergence. An example is given
showing significant improvement for a problem from quantum chromodynamics. The
second and subsequent right-hand sides are solved much quicker than without the
deflation. This new approach is relatively simple to implement and is very
efficient compared to other deflation methods.Comment: 13 pages, 5 figure
Computing and deflating eigenvalues while solving multiple right hand side linear systems in Quantum Chromodynamics
We present a new algorithm that computes eigenvalues and eigenvectors of a
Hermitian positive definite matrix while solving a linear system of equations
with Conjugate Gradient (CG). Traditionally, all the CG iteration vectors could
be saved and recombined through the eigenvectors of the tridiagonal projection
matrix, which is equivalent theoretically to unrestarted Lanczos. Our algorithm
capitalizes on the iteration vectors produced by CG to update only a small
window of vectors that approximate the eigenvectors. While this window is
restarted in a locally optimal way, the CG algorithm for the linear system is
unaffected. Yet, in all our experiments, this small window converges to the
required eigenvectors at a rate identical to unrestarted Lanczos. After the
solution of the linear system, eigenvectors that have not accurately converged
can be improved in an incremental fashion by solving additional linear systems.
In this case, eigenvectors identified in earlier systems can be used to
deflate, and thus accelerate, the convergence of subsequent systems. We have
used this algorithm with excellent results in lattice QCD applications, where
hundreds of right hand sides may be needed. Specifically, about 70 eigenvectors
are obtained to full accuracy after solving 24 right hand sides. Deflating
these from the large number of subsequent right hand sides removes the dreaded
critical slowdown, where the conditioning of the matrix increases as the quark
mass reaches a critical value. Our experiments show almost a constant number of
iterations for our method, regardless of quark mass, and speedups of 8 over
original CG for light quark masses.Comment: 22 pages, 26 eps figure
Computational Strategies in Lattice QCD
Lectures given at the Summer School on "Modern perspectives in lattice QCD",
Les Houches, August 3-28, 2009Comment: Latex source, 72 pages, 23 figures; v2: misprints corrected, minor
text change
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