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DTSTART;TZID=Europe/Stockholm:20190613T195000
DTEND;TZID=Europe/Stockholm:20190613T215000
UID:submissions.pasc-conference.org_PASC19_sess179@linklings.com
SUMMARY:Poster Session & Reception (Sponsored by Canton of Zurich and City
  of Zurich)
DESCRIPTION:Poster\n\n\nCLW05 - Simulating Hurricane Harvey Using Two Dime
 nsional Flood Model on Titan and Summit at ORNL\n\nGhafoor, Evans, Kalyana
 pu, Kao, Sharif...\n\nOne dimensional flood models do not represent flood 
 wave propagation correctly, especially in urban flood-prone areas, due to 
 inaccuracies in cross-section discretization and the inability to simulate
  lateral diffusion. In 2009, the National Research Council recommended tha
 t the Federal Emergency Ma...\n\n---------------------\nPHY03 - Comparison
  of Machine Learning Techniques for Emulating Collisions in Planet Formati
 on\n\nTimpe, Knabenhans, Han Veiga\n\nCollisions between growing bodies ar
 e the fundamental agent of planet formation. However, despite their import
 ance, the computational cost of simulating each collision, coupled with th
 e high-dimensionality of the input parameter space and non-linear response
  of the output parameter space, has so far...\n\n---------------------\nCL
 W01 - A Case Study of Scientific Visualization of Flow Field Data – 
 Dynamic Visualization of Ocean Current and Wave\n\nLiu, Su, Liu\n\nHigh-qu
 ality flow field visualization can help users to understand the hidden rul
 es behind a large number of messy data more clearly and intuitively. This 
 paper mainly focuses on dynamic visualization of ocean current and wave ba
 sed on flow field visualization with LIC algorithm. For geometric visua...
 \n\n---------------------\nCSM08 - Design and Implementation of an Exascal
 e-Ready Mini-App for Smoothed Particle Hydrodynamics (SPH) Simulations\n\n
 Ciorba, Mayer, Cabezon, Imbert, Guerrera...\n\nThis work presents the desi
 gn and implementation of SPH-EXA: an Exascale-ready mini-app for SPH simul
 ations. It stems from three SPH codes that are part of the PASC SPH-E
 XA project[1](SPHYNX[2], ChaNGa[3], and SPH-flow[4]). This mini-app is a s
 elf-contained C++ software with support for multi-n...\n\n----------------
 -----\nCSM07 - Building a Performance Portable Software System for the Met
  Office's Weather and Climate Model, LFRic\n\nMaynard\n\nLFRic is the weat
 her and climate model being developed by the Met Office to replace the Uni
 fied model for exascale computing architectures. A domain specific languag
 e has been developed to enable single science source code which can then b
 e run on different architectures. It exploits a domain specif...\n\n------
 ---------------\nCLW03 - DATALAKES - Data Platform and Stochastic Bayesian
  Forecasting for Swiss Lakes Using Supercomputers\n\nSafin, Bouffard, Geor
 gatos, Bouillet, Perez Cruz...\n\nDATALAKES is a multi-disciplinary and mu
 lti-institutional project involving Eawag, ETH Zurich, Swiss Data Science 
 Center and EPF Lausanne. Lakes are often misrepresented uniformly in blue,
  hiding rich spatio-temporal dynamics. As Chateau d’Eau of Europe, S
 witzerland requires a scientifically g...\n\n---------------------\nEAD01 
 - Deep Equilibrium Nets\n\nAzinovic, Gaegauf, Scheidegger\n\nWe propose a 
 grid-free, global solution method to compute approximate recursive equilib
 ria for stochastic economies with a high-dimensional state space in discre
 te time. We use deep neural nets to approximate the equilibrium demand fun
 ctions. The key innovation of our paper is to use the implied err...\n\n--
 -------------------\nLIF01 - Health 2030 Genome Center: a Stateful Data An
 alysis Platform for Genomic Medicine\n\nBartha, Howald, Lamparter, Harshma
 n, Fellay...\n\nOver the past decade, access to genomic information improv
 ed dramatically, thanks to technological developments and innovative inter
 disciplinary efforts. Interpreting the life- and disease relevant informat
 ion encoded in and by DNA and RNA is becoming easier by the day thanks to 
 the technological de...\n\n---------------------\nCSM16 - The Performance 
 Optimisation and Productivity (POP) HPC Centre of Excellence: Identifying 
 and Finding the Causes of Inefficiency in Parallel Applications\n\nMiah\n\
 nThe POP project, a parallel application profiling and optimisation servic
 e, successfully completed the first phase of the project which has resulte
 d in more than 125 assessments of parallel HPC applications. The project h
 as just received its second round of funding and this service is free of c
 harge...\n\n---------------------\nCSM06 - Auto-Tuning for Short-Range Par
 ticle Simulation\n\nGratl, Seckler, Tchipev, Bungartz, Neumann\n\nIn N-Bod
 y simulations the time-to-solution can change drastically depending on sim
 ulation parameters and the configuration of the scenario. Different algori
 thms or parallelization patterns can be applied to improve the performance
  for a specific scenario. However, no combination is optimal for every...\
 n\n---------------------\nCSM14 - Sparse Approximate Matrix Multiplication
  in a Fully Recursive Distributed Task-Based Parallel Framework\n\nArtemov
 \n\nWe consider a parallel implementation of approximate multiplication of
  large matrices with decay. Such matrices arise in computations related to
  electronic structure calculations and some other fields of science. The o
 riginal algorithm for the sparse approximate multiplication was suggested 
 by [N. B...\n\n---------------------\nPHY02 - Bayesian Parameter Inference
  with Stochastic Solar Dynamo Models\n\nUlzega, Albert\n\nTime-series of c
 osmogenic radionuclides stored in natural archives such as ice cores and t
 ree rings are a proxy for solar magnetic activity on multi-millennial time
 -scales. Radionuclides data exhibit a number of interesting features such 
 as intermittent stable cycles of high periods and Grand Minima...\n\n-----
 ----------------\nCSM10 - Identifying Performance Challenges in Smoothed P
 article Hydrodynamics Simulations\n\nMohammed, Cavelan, Ciorba, Cabezon, B
 anicescu\n\nSmoothed particle hydrodynamics (SPH) is a commonly used techn
 ique for the numerical simulation of fluids in astrophysics and many compu
 tational science and engineering fields. SPH is grid-less, fully Lagrangia
 n, particle method where the simulated system is discretized in a series o
 f interpolation ...\n\n---------------------\nCHM03 - Computing <em>Ab Ini
 tio</em> Molecular-Dynamics Trajectories Using Artificial Neural Networks 
 with Different Architectures and Feature Spaces\n\nBöselt, Riniker\n\nAccu
 rate calculation of the potential of mean force (PMF) of chemical reaction
 s requires long <em>ab initio</em> molecular-dynamics (AIMD) trajectories 
 using a computationally expensive description of the physical interactions
  like density-functional theory (DFT) or wave-function (WF) methods. Artif
 ...\n\n---------------------\nPHY06 - Spectral Methods for Multi-Scale Pla
 sma Physics Modeling at Exascale\n\nMarkidis, Delzanno, Koshkarov, Royters
 hteyn\n\nSpectral methods have recently emerged as a promising technique t
 o model the multi-scale nature of magnetized plasmas. This is due to the s
 o-called fluid-kinetic coupling, i.e. the ability to capture the large-sca
 le (macroscopic) behavior of the plasma with a few terms of the spectral e
 xpansion, whi...\n\n---------------------\nCSM01 - Abstracting Scientific 
 Array-Based Computations in High-Performance Computing Environments\n\nMac
 ià, Haveraaen\n\nManipulating multi-dimensional arrays is at the core of n
 umerical methods and algorithms for solving equations describing physical 
 phenomena, a significant domain for high-performance computing. The layout
  and the access patterns of array data are crucial to the optimal performa
 nce of array-based co...\n\n---------------------\nPHY05 - Modeling Scalar
  Advection Using the Particle-in Cell Method with Deformable Kernels\n\nSa
 muel\n\nThe particle-in-cell (PIC) method is commonly used in various cont
 exts to model pure advection of sharply varying fields. Standard PIC appro
 aches rely on the use of particle kernels to transfer the information carr
 ied by the Lagrangian particles to/from the Eulerian grid. These kernels a
 re generally...\n\n---------------------\nCSM15 - Tasking Meets GPUs: Figh
 ting Deadlocks and Other Monsters\n\nMorgenstern, Beckmann, Kabadshow, Wer
 ner\n\nTask parallelism is omnipresent these days; whether in data mining 
 or machine learning, for matrix factorization or even molecular dynamics (
 MD). Despite the success of task parallelism on CPUs, there is currently n
 o performant way to exploit the task parallelism of synchronization-critic
 al algorith...\n\n---------------------\nCSM04 - Applications of Quantum C
 omputing to Linear Algebra Eigendecomposition Problems\n\nPowers, Tarditi,
  Humble\n\nThis work explores the application of the unique features of qu
 antum computing (QC) to solve very large, eigendecomposition linear algebr
 a problems.   Our approach utilizes the D-Wave quantum processin
 g unit (QPU), a leading quantum computing hardware platform based on a 204
 8 qubit archite...\n\n---------------------\nCHM01 - Anisotropic Reaction-
 Field Correction for Ionic Solutions in Molecular Dynamics Simulations\n\n
 Lehner, Sidler, Riniker\n\nReaction-field (RF) methods are commonly used i
 n molecular dynamics (MD) simulations due to their simplicity, computation
 al speed and the fact that they are less prone to periodic artifacts as ma
 y occur with lattice-sum (LS) methods. However, RF methods have the major 
 disadvantage that by constructi...\n\n---------------------\nCSM03 - A Par
 allel Space-Time Boundary Element Method\n\nMerta, Zapletal, Dohr\n\nParal
 lel space-time algorithms are considered to be one of the possibiliti
 es how to improve scalability on current multi-petascale and future exasca
 le supercomputers, as opposed to the time-stepping algorithms where the pa
 rallelization is usually limited to the spatial dimension. On the other h.
 ..\n\n---------------------\nPHY01 - A Fully Traceless Cartesian Multipole
  Formulation for the Distributed Fast Multipole Method\n\nColes, Bieri\n\n
 The fast multipole method (FMM) is used to efficiently approximate long-ra
 nge interaction potentials found in diverse fields from molecular dynamics
  to astrophysics. This algorithm is particularly important now in the era 
 of exascale computing because of its O(n) scaling and low communication ov
 erhe...\n\n---------------------\nCSM09 - Helping You Improve Software Sus
 tainability and Development Productivity: An Overview of the IDEAS Project
 \n\nBernholdt, Dubey, Heroux, O'Neal\n\nThe IDEAS Productivity project (ht
 tps://ideas-productivity.org) was established to help address challenges t
 o software productivity and sustainability driven by the confluence of dem
 ands for predictive multiscale and multiphysics simulations, analysis, and
  design in computational science and enginee...\n\n---------------------\n
 CSM12 - Optimization of the Parallel Solver Execution Time with Evolutiona
 ry and Swarm Algorithms\n\nPanoc, Meca, Říha, Brzobohatý\n\nThe devel
 opment of optimal designs requires access to a great computational power l
 eading to the use of High Performance Computing. This work is focused on a
 utomatized settings of domain decomposition type solvers and algebraic mul
 tigrid solver available in ESPRESO, which is an open source computati...\n
 \n---------------------\nCHM04 - DBCSR: A Library for Sparse Linear Algebr
 a\n\nSeewald, Jakobovits, Sivkov, Lazzaro, Müller...\n\nThe DBCSR library 
 provides an optimized implementation for carrying out dense and sparse mat
 rix-matrix multiplication. Its multi-layered structure automatically takes
  care of and optimizes several computational aspects like parallelism (MPI
 , OpenMP, GPU), data (cache) locality and on-the-fly filteri...\n\n-------
 --------------\nLIF02 - Using Iterative Random Forest to Develop Multi-Phe
 notypic Genomic Selection Techniques\n\nRomero, Cliff, Kainer, Brown, Jaco
 bson\n\nMachine learning algorithms, such as iterative Random Forest (iRF)
 , have potential in the area of Genomic Prediction both to minimize the nu
 mber of required breeding generations to produce an ideal phenotype and as
  a way to optimize multiple phenotypes at once. IRF can be utilized for it
 s ability to...\n\n---------------------\nCSM13 - Scaling Iterative Random
  Forest for Use on Distributed High-Performance Compute Resources\n\nCliff
 , Romero, Brown, Jacobson\n\nThe iterative Random Forest algorithm modifie
 s the well-known Random Forest algorithm to handle variable importance and
  variable-interaction space in regression and classification by building s
 equential forests of weighted decision trees. These forests are mined for 
 recurring patterns. The strength ...\n\n---------------------\nENG01 - Par
 allel Processing of the Unstructured Meshes Stored in Sequential Databases
 \n\nMeca, Říha, Brzobohatý\n\nA wide range of engineers from industri
 al practice use numerical methods to simulate physical processes. A typica
 l example is problems arising from structural mechanics, where the creatio
 n of a high-quality numerical model is one of the most complicated parts o
 f the simulation process. In gener...\n\n---------------------\nCSM05
  - A Spherical Harmonic Oscillator Basis for Reduced Bandwidth Requir
 ements\n\nBaumeister\n\nLarge scale electronic structure calculations requ
 ire modern HPC resources and, as important, mature HPC applications t
 hat can make efficient use of those. Real-space grid-based applicatio
 ns of Density Functional Theory using the Projector Augmented Wave me
 thod can give the same ...\n\n---------------------\nCHM05 - Many-Bod
 y Perturbation Theory Towards the Exascale: Yambo on GPUs\n\nFerretti, Bon
 fa', Marri, Phillips, Romero...\n\nMany-body perturbation theory (MBPT) me
 thods such as the GW approximation or the Bethe Salpeter Equation (BSE) ar
 e emerging approaches in the field of electronic structure simulations. Im
 plemented since the 80s, nowadays they have become a tool of choice for ma
 ny computational works and are among th...\n\n---------------------\nCSM11
  - libEnsemble: A Library for the Concurrent Evaluation of Ensembles of Co
 mputations\n\nWild, Bindel, Hudson, Larson\n\nA part of the PETSc/TAO ECP 
 project, libEnsemble is a Python library to coordinate the concurrent eval
 uation of ensembles of computations. Designed with flexibility in mind, li
 bEnsemble can utilize massively parallel resources to accelerate the solut
 ion of design, decision, and inference problems. l...\n\n-----------------
 ----\nCSM02 - Adding Inter-Node Communication to a C++ Tasking Framew
 ork for Synchronization-Critical Applications\n\nKabadshow, Innerberger, B
 eckmann, Morgenstern\n\nIn order to use today's heterogeneous hardware eff
 iciently, intra-node and inter-node parallelization is required. Applicati
 on developers can choose between fully integrated PGAS approaches hiding t
 he distributed layout of the memory and MPI+X approaches separating shared
  and distributed memory comm...\n
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