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Scientific computing needs are growing dramatically with time and are expanding in science domains that were previously not compute intensive. When compute workflows spike well in excess of the capacity of their local compute resource, capacity should be temporarily provisioned from somewhere else to both meet deadlines and to increase scientific output. Public Clouds have become an attractive option due to their ability to be provisioned with minimal advance notice. The available capacity of cost-effective instances is not well understood. This paper presents expanding the IceCube's production HTCondor pool using cost-effective GPU instances in preemptible mode gathered from the three major Cloud providers, namely Amazon Web Services, Microsoft Azure and the Google Cloud Platform. Using this setup, we sustained for a whole workday about 15k GPUs, corresponding to around 170 PFLOP32s, integrating over one EFLOP32 hour worth of science output for a price tag of about $60k. In this paper, we provide the reasoning behind Cloud instance selection, a description of the setup and an analysis of the provisioned resources, as well as a short description of the actual science output of the exercise., Comment: 5 pages, 7 figures, to be published in proceedings of PEARC'20. arXiv admin note: text overlap with arXiv:2002.06667

The Kuiper Belt is a distant region of the Solar System. On 1 January 2019, the New Horizons spacecraft flew close to (486958) 2014 MU69, a Cold Classical Kuiper Belt Object, a class of objects that have never been heated by the Sun and are therefore well preserved since their formation. Here we describe initial results from these encounter observations. MU69 is a bi-lobed contact binary with a flattened shape, discrete geological units, and noticeable albedo heterogeneity. However, there is little surface color and compositional heterogeneity. No evidence for satellites, ring or dust structures, gas coma, or solar wind interactions was detected. By origin MU69 appears consistent with pebble cloud collapse followed by a low velocity merger of its two lobes., Comment: 43 pages, 8 figure

Recent X-ray observations of star-forming galaxies such as M82 have shown the Ly beta/Ly alpha line ratio of Ne X to be in excess of predictions for thermal electron impact excitation. Here we demonstrate that the observed line ratio may be due to charge exchange and can be used to constrain the ion kinetic energy to be <500 eV/u. This is accomplished by computing spectra and line ratios via a range of theoretical methods and comparing these to experiments with He over astrophysically relevant collision energies. The charge exchange emission spectra calculations were performed for Ne[10+] +H and Ne[10+] +He using widely applied approaches including the atomic orbital close coupling, classical trajectory Monte Carlo, and multichannel Landau- Zener (MCLZ) methods. A comparison of the results from these methods indicates that for the considered energy range and neutrals (H, He) the so-called "low-energy l-distribution" MCLZ method provides the most likely reliable predictions., Comment: 8 pages, 9 figures

Camera image sensors can be used to detect ionizing radiation in addition to optical photons. In particular, cosmic-ray muons are detected as long, straight tracks passing through multiple pixels. The distribution of track lengths can be related to the thickness of the active (depleted) region of the camera image sensor through the known angular distribution of muons at sea level. We use a sample of cosmic-ray muon tracks recorded by the Distributed Electronic Cosmic-ray Observatory to measure the thickness of the depletion region of the camera image sensor in a commercial smart phone, the HTC Wildfire S. The track length distribution prefers a cosmic-ray muon angular distribution over an isotropic distribution. Allowing either distribution, we measure the depletion thickness to be between 13.9~$\mu$m and 27.7~$\mu$m. The same method can be applied to additional models of image sensor. Once measured, the thickness can be used to convert track length to incident polar angle on a per-event basis. Combined with a determination of the incident azimuthal angle directly from the track orientation in the sensor plane, this enables direction reconstruction of individual cosmic-ray events.

We present measurements and calculations of the momentum distribution of electrons emitted during the ion-atom collision 10 keV/u $He^{2+}+He \rightarrow He^{+} + He^{2+} + e^{-}$, which show rich structures for ion scattering angles above 2 mrad arising dominantly from two-electron states. Our calculations reveal that minima in the measured distributions are zeros in the electronic probability density resulting from vortices in the electronic current.

IceCube is a one-gigaton instrument located at the geographic South Pole, designed to detect cosmic neutrinos, iden- tify the particle nature of dark matter, and study high-energy neutrinos themselves. Simulation of the IceCube detector and processing of data require a significant amount of computational resources. IceProd is a distributed management system based on Python, XML-RPC and GridFTP. It is driven by a central database in order to coordinate and admin- ister production of simulations and processing of data produced by the IceCube detector. IceProd runs as a separate layer on top of other middleware and can take advantage of a variety of computing resources, including grids and batch systems such as CREAM, Condor, and PBS. This is accomplished by a set of dedicated daemons that process job submission in a coordinated fashion through the use of middleware plugins that serve to abstract the details of job submission and job management from the framework.

Experimental and theoretical state-selective X-ray spectra resulting from single-electron capture in charge exchange (CX) collisions of Ne^10+ with He, Ne, and Ar are presented for a collision velocity of 933 km s^-1 (4.54 keV nucleon^-1), comparable to the highest velocity components of the fast solar wind. The experimental spectra were obtained by detecting scattered projectiles, target recoil ions, and X-rays in coincidence; with simultaneous determination of the recoil ion momenta. Use and interpretation of these spectra are free from the complications of non-coincident total X-ray measurements that do not differentiate between the primary reaction channels. The spectra offer the opportunity to test critically the ability of CX theories to describe such interactions at the quantum orbital angular momentum level of the final projectile ion. To this end, new classical trajectory Monte Carlo calculations are compared here with the measurements. The current work demonstrates that modeling of cometary, heliospheric, planetary, and laboratory X-ray emission based on approximate state-selective CX models may result in erroneous conclusions and deductions of relevant parameters., Comment: 4 figures

Rate coefficients for rotational transitions in H_2 induced by H_2 impact are presented. Extensive quantum mechanical coupled-channel calculations based on a recently published (H_2)_2 potential energy surface were performed. The potential energy surface used here is presumed to be more reliable than surfaces used in previous work. Rotational transition cross sections with initial levels J <= 8 were computed for collision energies ranging between 0.0001 and 2.5 eV, and the corresponding rate coefficients were calculated for the temperature range 2 < T <10,000 K. In general, agreement with earlier calculations, which were limited to 100-6000 K, is good though discrepancies are found at the lowest and highest temperatures. Low-density-limit cooling functions due to para- and ortho-H_2 collisions are obtained from the collisional rate coefficients. Implications of the new results for non-thermal H_2 rotational distributions in molecular regions are also investigated.

An ab initio, three-dimensional quantum mechanical calculation has been performed for the time-evolution of continuum electrons in the fields of moving charges. Here the essential singularity associated with the diverging phase factor in the continuum wave function is identified and removed analytically. As a result, the continuum components of the regularized wave function are slowly varying with time. Therefore, one can propagate continuum electrons to asymptotically large times and obtain numerically stable, well-converged ejected electron momentum spectra with very low numerical noise. As a consequence, our approach resolves outstanding controversies concerning structures in electron momentum distributions. The main conclusions are general and are illustrated here for ionization of atomic hydrogen by proton impact. Our results show that in order to obtain correct long-time free-particle propagation, the essential singularity identified here should be removed from the continuum components of solutions to the time-dependent Schrodinger equation., Comment: 4 pages, 3 figures

We present quantum mechanical close-coupling calculations of collisions between two hydrogen molecules over a wide range of energies, extending from the ultracold limit to the super-thermal region. The two most recently published potential energy surfaces for the H$_2$-H$_2$ complex, the so-called DJ (Diep and Johnson, 2000) and BMKP (Boothroyd et al., 2002) surfaces, are quantitatively evaluated and compared through the investigation of rotational transitions in H$_2$+H$_2$ collisions within rigid rotor approximation. The BMKP surface is expected to be an improvement, approaching chemical accuracy, over all conformations of the potential energy surface compared to previous calculations of H$_2$-H$_2$ interaction. We found significant differences in rotational excitation/de-excitation cross sections computed on the two surfaces in collisions between two para-H$_2$ molecules. The discrepancy persists over a large range of energies from the ultracold regime to thermal energies and occurs for several low-lying initial rotational levels. Good agreement is found with experiment (Mat\'e et al., 2005) for the lowest rotational excitation process, but only with the use of the DJ potential. Rate coefficients computed with the BMKP potential are an order of magnitude smaller., Comment: Accepted by J. Chem. Phys

The two most recently published potential energy surfaces (PESs) for the HeH$_2$ complex, the so-called MR (Muchnick and Russek) and BMP (Boothroyd, Martin, and Peterson) surfaces, are quantitatively evaluated and compared through the investigation of atom-diatom collision processes. The BMP surface is expected to be an improvement, approaching chemical accuracy, over all conformations of the PES compared to that of the MR surface. We found significant differences in inelastic rovibrational cross sections computed on the two surfaces for processes dominated by large changes in target rotational angular momentum. In particular, the H$_2$($\nu=1, j=0$) total quenching cross section computed using the BMP potential was found to be a factor of $~$1000 larger than that obtained with the MR surface., Comment: 26 pages, 11 figures

Presented here is a description of the ionization of hydrogen and hydrogenic ions by antiproton-impact, based on very large scale numerical solutions of the time-dependent Schr\"odinger equation in three spatial dimensions and on analysis of the topology of the electronic eigenenergy surfaces in the plane of complex internuclear distance. Comparison is made with other theories and very recent measurements., Comment: RevTex document, 11 pages, 4 Postscript figures are available from the authors, in press Phys. Rev. Lett