ASCR/HEP Exascale Requirements Review Report

This draft report summarizes and details the findings, results, and recommendations derived from the ASCR/HEP Exascale Requirements Review meeting held in June, 2015. The main conclusions are as follows. 1) Larger, more capable computing and data facilities are needed to support HEP science goals in all three frontiers: Energy, Intensity, and Cosmic. The expected scale of the demand at the 2025 timescale is at least two orders of magnitude -- and in some cases greater -- than that available currently. 2) The growth rate of data produced by simulations is overwhelming the current ability, of both facilities and researchers, to store and analyze it. Additional resources and new techniques for data analysis are urgently needed. 3) Data rates and volumes from HEP experimental facilities are also straining the ability to store and analyze large and complex data volumes. Appropriately configured leadership-class facilities can play a transformational role in enabling scientific discovery from these datasets. 4) A close integration of HPC simulation and data analysis will aid greatly in interpreting results from HEP experiments. Such an integration will minimize data movement and facilitate interdependent workflows. 5) Long-range planning between HEP and ASCR will be required to meet HEP's research needs. To best use ASCR HPC resources the experimental HEP program needs a) an established long-term plan for access to ASCR computational and data resources, b) an ability to map workflows onto HPC resources, c) the ability for ASCR facilities to accommodate workflows run by collaborations that can have thousands of individual members, d) to transition codes to the next-generation HPC platforms that will be available at ASCR facilities, e) to build up and train a workforce capable of developing and using simulations and analysis to support HEP scientific research on next-generation systems.Comment: 77 pages, 13 Figures; draft report, subject to further revisio

Neural Networks for Modeling and Control of Particle Accelerators

We describe some of the challenges of particle accelerator control, highlight recent advances in neural network techniques, discuss some promising avenues for incorporating neural networks into particle accelerator control systems, and describe a neural network-based control system that is being developed for resonance control of an RF electron gun at the Fermilab Accelerator Science and Technology (FAST) facility, including initial experimental results from a benchmark controller.Comment: 21 p

An Experimental Study of Reduced-Voltage Operation in Modern FPGAs for Neural Network Acceleration

We empirically evaluate an undervolting technique, i.e., underscaling the circuit supply voltage below the nominal level, to improve the power-efficiency of Convolutional Neural Network (CNN) accelerators mapped to Field Programmable Gate Arrays (FPGAs). Undervolting below a safe voltage level can lead to timing faults due to excessive circuit latency increase. We evaluate the reliability-power trade-off for such accelerators. Specifically, we experimentally study the reduced-voltage operation of multiple components of real FPGAs, characterize the corresponding reliability behavior of CNN accelerators, propose techniques to minimize the drawbacks of reduced-voltage operation, and combine undervolting with architectural CNN optimization techniques, i.e., quantization and pruning. We investigate the effect of environmental temperature on the reliability-power trade-off of such accelerators. We perform experiments on three identical samples of modern Xilinx ZCU102 FPGA platforms with five state-of-the-art image classification CNN benchmarks. This approach allows us to study the effects of our undervolting technique for both software and hardware variability. We achieve more than 3X power-efficiency (GOPs/W) gain via undervolting. 2.6X of this gain is the result of eliminating the voltage guardband region, i.e., the safe voltage region below the nominal level that is set by FPGA vendor to ensure correct functionality in worst-case environmental and circuit conditions. 43% of the power-efficiency gain is due to further undervolting below the guardband, which comes at the cost of accuracy loss in the CNN accelerator. We evaluate an effective frequency underscaling technique that prevents this accuracy loss, and find that it reduces the power-efficiency gain from 43% to 25%.Comment: To appear at the DSN 2020 conferenc

Geant4 Applications for Modeling Molecular Transport in Complex Vacuum Geometries

We discuss a novel use of the Geant4 simulation toolkit to model molecular transport in a vacuum environment, in the molecular flow regime. The Geant4 toolkit was originally developed by the high energy physics community to simulate the interactions of elementary particles within complex detector systems. Here its capabilities are utilized to model molecular vacuum transport in geometries where other techniques are impractical. The techniques are verified with an application representing a simple vacuum geometry that has been studied previously both analytically and by basic Monte Carlo simulation. We discuss the use of an application with a very complicated geometry, that of the Large Synoptic Survey Telescope camera cryostat, to determine probabilities of transport of contaminant molecules to optical surfaces where control of contamination is crucial.Comment: 7 pages, 4 figures, 2 tables, to appear in IJMSSC, updated to accepted versio

Multi-Architecture Monte-Carlo (MC) Simulation of Soft Coarse-Grained Polymeric Materials: SOft coarse grained Monte-carlo Acceleration (SOMA)

Multi-component polymer systems are important for the development of new materials because of their ability to phase-separate or self-assemble into nano-structures. The Single-Chain-in-Mean-Field (SCMF) algorithm in conjunction with a soft, coarse-grained polymer model is an established technique to investigate these soft-matter systems. Here we present an im- plementation of this method: SOft coarse grained Monte-carlo Accelera- tion (SOMA). It is suitable to simulate large system sizes with up to billions of particles, yet versatile enough to study properties of different kinds of molecular architectures and interactions. We achieve efficiency of the simulations commissioning accelerators like GPUs on both workstations as well as supercomputers. The implementa- tion remains flexible and maintainable because of the implementation of the scientific programming language enhanced by OpenACC pragmas for the accelerators. We present implementation details and features of the program package, investigate the scalability of our implementation SOMA, and discuss two applications, which cover system sizes that are difficult to reach with other, common particle-based simulation methods