Search results for "Parallel"
showing 10 items of 667 documents
Scheduled Relaxation Jacobi method: improvements and applications
2016
Elliptic partial differential equations (ePDEs) appear in a wide variety of areas of mathematics, physics and engineering. Typically, ePDEs must be solved numerically, which sets an ever growing demand for efficient and highly parallel algorithms to tackle their computational solution. The Scheduled Relaxation Jacobi (SRJ) is a promising class of methods, atypical for combining simplicity and efficiency, that has been recently introduced for solving linear Poisson-like ePDEs. The SRJ methodology relies on computing the appropriate parameters of a multilevel approach with the goal of minimizing the number of iterations needed to cut down the residuals below specified tolerances. The efficien…
Parallel Calculation of CCSD and CCSD(T) Analytic First and Second Derivatives.
2007
In this paper we present a parallel adaptation of a highly efficient coupled-cluster algorithm for calculating coupled-cluster singles and doubles (CCSD) and coupled-cluster singles and doubles augmented by a perturbative treatment of triple excitations (CCSD(T)) energies, gradients, and, for the first time, analytic second derivatives. A minimal-effort strategy is outlined that leads to an amplitude-replicated, communication-minimized implementation by parallelizing the time-determining steps for CCSD and CCSD(T). The resulting algorithm is aimed at affordable cluster architectures consisting of compute nodes with sufficient memory and local disk space and that are connected by standard co…
Can the Double Exchange Cause Antiferromagnetic Spin Alignment?
2020
The effect of the double exchange in a square-planar mixed-valence dn+1&minus
Monte Carlo simulations of the periodically forced autocatalyticA+B→2Breaction
2000
The one-parameter autocatalytic Lotka-like model, which exhibits self-organized oscillations, is considered on a two-dimensional lattice, using Monte Carlo computer simulations. Despite the simplicity of the model, periodic modulation of the only control parameter drives the system through a sequence of frequency locking, quasiperiodic, and resonance behavior.
Quasi-elastic polarization-transfer measurements on the deuteron in anti-parallel kinematics
2019
We present measurements of the polarization-transfer components in the H2(e→,e′p→) reaction, covering a previously unexplored kinematic region with large positive (anti-parallel) missing momentum, pmiss, up to 220MeV/c, and Q2=0.65 (GeV/c)2. These measurements, performed at the Mainz Microtron (MAMI), were motivated by theoretical calculations which predict small final-state interaction (FSI) effects in these kinematics, making them favorable for searching for medium modifications of bound nucleons in nuclei. We find in this kinematic region that the measured polarization-transfer components Px and Pz and their ratio agree with the theoretical calculations, which use free-proton form factor…
Measurement of the Recoil Polarization in thep(e→,e′p→)π0Reaction at theΔ(1232)Resonance
2001
The recoil proton polarization has been measured in the $p(\stackrel{\ensuremath{\rightarrow}}{e}{,e}^{\ensuremath{'}}\stackrel{\ensuremath{\rightarrow}}{p}){\ensuremath{\pi}}^{0}$ reaction in parallel kinematics around $W\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}1232\phantom{\rule{0ex}{0ex}}\mathrm{MeV}$, ${Q}^{2}\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}0.121\phantom{\rule{0ex}{0ex}}(\mathrm{GeV}/c{)}^{2}$, and $\ensuremath{\epsilon}\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}0.718$ using the polarized cw electron beam of the Mainz Microtron. All three proton polarization components, ${P}_{x}/{P}_{e}\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}(\ensuremath{-…
Chain length dependence of the state diagram of a single stiff-chain macromolecule: Theory and Monte Carlo simulation
2003
We present a Monte Carlo computer simulation and theoretical results for the dependence of the state diagram of a single semiflexible chain on the chain length. The calculated transition lines between different structures in the state diagrams for both studied chain lengths N=40 and N=80 can be described by theoretical predictions which include chain length dependence explicitly. The stability criteria of different structures are discussed. The theoretically predicted exponent in the dependence of the toroid size on the chain length is compatible with computer simulation results.
Masclet: a new multidimensional AMR cosmological code
2004
A new cosmological multidimensional hydrodynamic and N-body code based on an Adaptive Mesh Refinement scheme is described and tested. The hydro part is based on modern high-resolution shock-capturing techniques, whereas N-body approach is based on a Particle Mesh method. The code has been specifically designed for cosmological applications.To search for other articles by the author(s) go to: http://adsabs.harvard.edu/abstract_service.html
Ergodicity breaking in a mean field Potts glass: A Monte Carlo investigation
2002
We use Monte Carlo simulations, single spin-flip as well as parallel tempering techniques to investigate the 10-state fully connected Potts glass for system sizes of up to N = 2560. We find that the α-relaxation shows a strong dependence on N and that for the system sizes considered the system remains ergodic even at temperatures below T D , the dynamical critical temperature for this model. However, if one uses the data for the finite size systems, such as the relaxation times or the time dependence of the spin autocorrelation function, and extrapolates them to the thermodynamic limit, one finds that they are indeed compatible with the results for N = ∞ (which are known from analytical cal…
Phase transitions in thin films with competing surface fields and gradients.
2011
As a generic model for phase equilibria under confinement in a thin-film geometry in the presence of a gradient in the field conjugate to the order parameter, an Ising-lattice gas system is studied by both Monte Carlo simulations and a phenomenological theory. Choosing an $L\ifmmode\times\else\texttimes\fi{}L\ifmmode\times\else\texttimes\fi{}D$ geometry with $L\ensuremath{\gg}D$ and periodic boundary conditions in the $x,y$ directions, we place competing surface fields on the two $L\ifmmode\times\else\texttimes\fi{}L$ surfaces. In addition, a field gradient $g$ is present in the $z$ direction across the film, in competition with the surface fields. At temperatures $T$ exceeding the critical…