Performance Models for Data Transfers: A Case Study with Molecular Chemistry Kernels

With increasing complexity of hardwares, systems with different memory nodes are ubiquitous in High Performance Computing (HPC). It is paramount to develop strategies to overlap the data transfers between memory nodes with computations in order to exploit the full potential of these systems. In this article, we consider the problem of deciding the order of data transfers between two memory nodes for a set of independent tasks with the objective to minimize the makespan. We prove that with limited memory capacity, obtaining the optimal order of data transfers is a NP-complete problem. We propose several heuristics for this problem and provide details about their favorable situations. We present an analysis of our heuristics on traces, obtained by running 2 molecular chemistry kernels, namely, Hartree-Fock (HF) and Coupled Cluster Single Double (CCSD) on 10 nodes of an HPC system. Our results show that some of our heuristics achieve significant overlap for moderate memory capacities and are very close to the lower bound of makespan

Microwave Scattering and Noise Emission from Afterglow Plasmas in a Magnetic Field

The microwave reflection and noise emission (extraordinary mode) from cylindrical rare‐gas (He, Ne, Ar) afterglow plasmas in an axial magnetic field is described. Reflection and noise emission are measured as a function of magnetic field near electron cyclotron resonance (ω ≈ ω_c) with electron density as a parameter (ω_p < ω). A broad peak, which shifts to lower values of ω_c/ω) as electron density increases, is observed for (ω_c/ω) ≤ 1. For all values of electron density a second sharp peak is found very close to cyclotron resonance in reflection measurements. This peak does not occur in the emission data. Calculations of reflection and emission using a theoretical model consisting of a one‐dimensional, cold plasma slab with nonuniform electron density yield results in qualitative agreement with the observations. Both the experimental and theoretical results suggest that the broad, density‐dependent peak involves resonance effects at the upper hybrid frequency ((ω_h)^2 = (ω_c)^2 + (ω_p)^2) of the plasma

Stochastic evolutions in superspace and superconformal field theory

Some stochastic evolutions of conformal maps can be described by SLE and may be linked to conformal field theory via stochastic differential equations and singular vectors in highest-weight modules of the Virasoro algebra. Here we discuss how this may be extended to superconformal maps of N=1 superspace with links to superconformal field theory and singular vectors of the N=1 superconformal algebra in the Neveu-Schwarz sector.Comment: 13 pages, LaTe

Winter wheat: A model for the simulation of growth and yield in winter wheat

The basic ideas and constructs for a general physical/physiological process level winter wheat simulation model are documented. It is a materials balance model which calculates daily increments of photosynthate production and respiratory losses in the crop canopy. The partitioning of the resulting dry matter to the active growing tissues in the plant each day, transpiration and the uptake of nitrogen from the soil profile are simulated. It incorporates the RHIZOS model which simulates, in two dimensions, the movement of water, roots, and soluble nutrients through the soil profile. It records the time of initiation of each of the plant organs. These phenological events are calculated from temperature functions with delays resulting from physiological stress. Stress is defined mathematically as an imbalance in the metabolite supply; demand ratio. Physiological stress is also the basis for the calculation of rates of tiller and floret abortion. Thus, tillering and head differentiation are modeled as the resulants of the two processes, morphogenesis and abortion, which may be occurring simulaneously

Stress engineering at the nanometer scale: Two-component adlayer stripes

Spontaneously formed equilibrium nanopatterns with long-range order are widely observed in a variety of systems, but their pronounced temperature dependence remains an impediment to maintain such patterns away from the temperature of formation. Here, we report on a highly ordered stress-induced stripe pattern in a two-component, Pd-O, adsorbate monolayer on W(110), produced at high temperature and identically preserved at lower temperatures. The pattern shows a tunable period (down to 16 nm) and orientation, as predicted by a continuum model theory along with the surface stress and its anisotropy found in our DFT calculations. The control over thermal fluctuations in the stripe formation process is based on the breaking/restoring of ergodicity in a high-density lattice gas with long-range interactions upon turning off/on particle exchange with a heat bath.Comment: 6 pages, 4 figure

Experimental Study of the Upper Hybrid Echo in Plasmas

The two-pulse stimulated radiation of dense (10^9/cm^3 < ne ≤ 10^(11)/cm^3) nonuniform neon and argon afterglow plasma columns longitudinally immersed in a magnetic field is studied. The magnetic field is very homogeneous over the plasma volume (ΔB/B ~ .01%). If the S-band microwave pulses' center frequency is such that they resonantly excite a narrow band of plasma upper hybrid oscillations close to the maximum upper hybrid frequency of the column, strong two- pulse echoes are observed. This new echo process is called the upper hybrid echo. The echo spectrum, echo power and echo width were studied as a function of the pulse peak power P, pulse separation τ, relative density (ω_(po)/ω)^2, and relative cyclotron frequency (ω_(c)/ω). The complex but systematic variations of the echo properties as a function of the above-mentioned parameters are found to be in qualitative agreement with those predicted by a theory of Gould and Blum based upon a simple nonuniform unidimensional cold plasma slab model. The possible effects of electron neutral and electron ion collisions not retained in the theoretical model are discussed. The existence of a new type of cyclotron echo, different from that of Hill and Kaplan and not predicted by the Blum and Gould model is documented. It is believed to be also of a collective effect nature and can probably be described in terms of a theory retaining some hot plasma effects

Experimental Study of the Upper Hybrid Echo in Plasmas

The two-pulse stimulated radiation of dense (10^9/cm^3 < ne ≤ 10^(11)/cm^3) nonuniform neon and argon afterglow plasma columns longitudinally immersed in a magnetic field is studied. The magnetic field is very homogeneous over the plasma volume (ΔB/B ~ .01%). If the S-band microwave pulses' center frequency is such that they resonantly excite a narrow band of plasma upper hybrid oscillations close to the maximum upper hybrid frequency of the column, strong two- pulse echoes are observed. This new echo process is called the upper hybrid echo. The echo spectrum, echo power and echo width were studied as a function of the pulse peak power P, pulse separation τ, relative density (ω_(po)/ω)^2, and relative cyclotron frequency (ω_(c)/ω). The complex but systematic variations of the echo properties as a function of the above-mentioned parameters are found to be in qualitative agreement with those predicted by a theory of Gould and Blum based upon a simple nonuniform unidimensional cold plasma slab model. The possible effects of electron neutral and electron ion collisions not retained in the theoretical model are discussed. The existence of a new type of cyclotron echo, different from that of Hill and Kaplan and not predicted by the Blum and Gould model is documented. It is believed to be also of a collective effect nature and can probably be described in terms of a theory retaining some hot plasma effects

Critical curves in conformally invariant statistical systems

We consider critical curves -- conformally invariant curves that appear at critical points of two-dimensional statistical mechanical systems. We show how to describe these curves in terms of the Coulomb gas formalism of conformal field theory (CFT). We also provide links between this description and the stochastic (Schramm-) Loewner evolution (SLE). The connection appears in the long-time limit of stochastic evolution of various SLE observables related to CFT primary fields. We show how the multifractal spectrum of harmonic measure and other fractal characteristics of critical curves can be obtained.Comment: Published versio

Strain relaxation in small adsorbate islands: O on W(110)

The stress-induced lattice changes in a p(1x2) ordered oxygen layer on W(110) are measured by low-energy electron diffraction. We have observed that small oxygen islands show a mismatch with the underlying lattice. Our results indicate that along [1-10] the average mismatch scales inversely with the island size as 1/L for all oxygen coverages up to 0.5 ML, while along [001] it is significant only for the smallest oxygen islands and scales as a higher power of the inverse island size. The behaviour along [1-10] is described by a one-dimensional finite-size Frenkel-Kontorova model. Using this model, together with calculated force constants, we make a quantitative estimate for the change of surface-stress upon oxygen adsorption. The result is consistent with our ab-initio calculations, which give a relative compressive stress of -4.72 N/m along [1-10] and a minute relative tensile stress of 0.15 N/m along [001]. The scaling along [001] is qualitatively explained as an effect induced by the lattice relaxation in the [1-10] direction.Comment: 22 pages, 5 figure