11,127 research outputs found
Research and Education in Computational Science and Engineering
Over the past two decades the field of computational science and engineering
(CSE) has penetrated both basic and applied research in academia, industry, and
laboratories to advance discovery, optimize systems, support decision-makers,
and educate the scientific and engineering workforce. Informed by centuries of
theory and experiment, CSE performs computational experiments to answer
questions that neither theory nor experiment alone is equipped to answer. CSE
provides scientists and engineers of all persuasions with algorithmic
inventions and software systems that transcend disciplines and scales. Carried
on a wave of digital technology, CSE brings the power of parallelism to bear on
troves of data. Mathematics-based advanced computing has become a prevalent
means of discovery and innovation in essentially all areas of science,
engineering, technology, and society; and the CSE community is at the core of
this transformation. However, a combination of disruptive
developments---including the architectural complexity of extreme-scale
computing, the data revolution that engulfs the planet, and the specialization
required to follow the applications to new frontiers---is redefining the scope
and reach of the CSE endeavor. This report describes the rapid expansion of CSE
and the challenges to sustaining its bold advances. The report also presents
strategies and directions for CSE research and education for the next decade.Comment: Major revision, to appear in SIAM Revie
PaPaS: A Portable, Lightweight, and Generic Framework for Parallel Parameter Studies
The current landscape of scientific research is widely based on modeling and
simulation, typically with complexity in the simulation's flow of execution and
parameterization properties. Execution flows are not necessarily
straightforward since they may need multiple processing tasks and iterations.
Furthermore, parameter and performance studies are common approaches used to
characterize a simulation, often requiring traversal of a large parameter
space. High-performance computers offer practical resources at the expense of
users handling the setup, submission, and management of jobs. This work
presents the design of PaPaS, a portable, lightweight, and generic workflow
framework for conducting parallel parameter and performance studies. Workflows
are defined using parameter files based on keyword-value pairs syntax, thus
removing from the user the overhead of creating complex scripts to manage the
workflow. A parameter set consists of any combination of environment variables,
files, partial file contents, and command line arguments. PaPaS is being
developed in Python 3 with support for distributed parallelization using SSH,
batch systems, and C++ MPI. The PaPaS framework will run as user processes, and
can be used in single/multi-node and multi-tenant computing systems. An example
simulation using the BehaviorSpace tool from NetLogo and a matrix multiply
using OpenMP are presented as parameter and performance studies, respectively.
The results demonstrate that the PaPaS framework offers a simple method for
defining and managing parameter studies, while increasing resource utilization.Comment: 8 pages, 6 figures, PEARC '18: Practice and Experience in Advanced
Research Computing, July 22--26, 2018, Pittsburgh, PA, US
From Physics Model to Results: An Optimizing Framework for Cross-Architecture Code Generation
Starting from a high-level problem description in terms of partial
differential equations using abstract tensor notation, the Chemora framework
discretizes, optimizes, and generates complete high performance codes for a
wide range of compute architectures. Chemora extends the capabilities of
Cactus, facilitating the usage of large-scale CPU/GPU systems in an efficient
manner for complex applications, without low-level code tuning. Chemora
achieves parallelism through MPI and multi-threading, combining OpenMP and
CUDA. Optimizations include high-level code transformations, efficient loop
traversal strategies, dynamically selected data and instruction cache usage
strategies, and JIT compilation of GPU code tailored to the problem
characteristics. The discretization is based on higher-order finite differences
on multi-block domains. Chemora's capabilities are demonstrated by simulations
of black hole collisions. This problem provides an acid test of the framework,
as the Einstein equations contain hundreds of variables and thousands of terms.Comment: 18 pages, 4 figures, accepted for publication in Scientific
Programmin
Status and Future Perspectives for Lattice Gauge Theory Calculations to the Exascale and Beyond
In this and a set of companion whitepapers, the USQCD Collaboration lays out
a program of science and computing for lattice gauge theory. These whitepapers
describe how calculation using lattice QCD (and other gauge theories) can aid
the interpretation of ongoing and upcoming experiments in particle and nuclear
physics, as well as inspire new ones.Comment: 44 pages. 1 of USQCD whitepapers
Enhancing Job Scheduling of an Atmospheric Intensive Data Application
Nowadays, e-Science applications involve great deal of data to have more accurate analysis. One of its application domains is the Radio Occultation which manages satellite data. Grid Processing Management is a physical infrastructure geographically distributed based on Grid Computing, that is implemented for the overall processing Radio Occultation analysis. After a brief description of algorithms adopted to characterize atmospheric profiles, the paper presents an improvement of job scheduling in order to decrease processing time and optimize resource utilization. Extension of grid computing capacity is implemented by virtual machines in existing physical Grid in order to satisfy temporary job requests. Also scheduling plays an important role in the infrastructure that is handled by a couple of schedulers which are developed to manage data automaticall
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