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High Performance
Computing
ISC High Performance 2018 International Workshops
Frankfurt/Main, Germany, June 28, 2018
Revised Selected Papers
123
Lecture Notes in Computer Science 11203
Commenced Publication in 1973
Founding and Former Series Editors:
Gerhard Goos, Juris Hartmanis, and Jan van Leeuwen
Editorial Board
David Hutchison
Lancaster University, Lancaster, UK
Takeo Kanade
Carnegie Mellon University, Pittsburgh, PA, USA
Josef Kittler
University of Surrey, Guildford, UK
Jon M. Kleinberg
Cornell University, Ithaca, NY, USA
Friedemann Mattern
ETH Zurich, Zurich, Switzerland
John C. Mitchell
Stanford University, Stanford, CA, USA
Moni Naor
Weizmann Institute of Science, Rehovot, Israel
C. Pandu Rangan
Indian Institute of Technology Madras, Chennai, India
Bernhard Steffen
TU Dortmund University, Dortmund, Germany
Demetri Terzopoulos
University of California, Los Angeles, CA, USA
Doug Tygar
University of California, Berkeley, CA, USA
More information about this series at http://www.springer.com/series/7407
Rio Yokota Michel̀ e Weiland
•
High Performance
Computing
ISC High Performance 2018 International Workshops
Frankfurt/Main, Germany, June 28, 2018
Revised Selected Papers
123
Editors
Rio Yokota John Shalf
Tokyo Institute of Technology Lawrence Berkeley National Laboratory
Tokyo, Japan Berkeley, CA, USA
̀ Weiland
Michele Sadaf Alam
University of Edinburgh Swiss National Supercomputing Centre
Edinburgh, UK Lugano, Switzerland
This Springer imprint is published by the registered company Springer Nature Switzerland AG
The registered company address is: Gewerbestrasse 11, 6330 Cham, Switzerland
Preface
Program Committee
Jean-Thomas Acquaviva DDN, France
Thomas Boenisch HLRS, Germany
Jim Brandt Sandia National Laboratories, USA
Sven Breuner ThinkparQ, Germany
Matt Bryson University of California, Santa Cruz, USA
Suren Byna Lawrence Berkeley National Laboratory, USA
Sandro Fiore CMCC, Italy
Wolfgang Frings Jülich Supercomputing Centre, Germany
VIII Organization
Program Committee
Julien Bigot CEA, France
André Brinkmann Mainz University, Germany
Jason Chun Xue City University of Hong Kong, SAR China
Stefano Cozzini CNR, Italy
Kaoutar El Maghraoui IBM, USA
Jesus Escudero-Sahuquillo University of Castilla-La Mancha, Spain
Maria E. Gomez Polytechnic University of Valencia, Spain
Pilar Gonzalez Ferez Universidad de Murcia, Spain
Denis Gutfreund ATOS, France
Julian Kunkel University of Reading, UK
J-Charles Lafoucrière CEA, France
Duo Liu Chongqing University, China
Manolis Marazakis ICS-FORTH, Greece
Lars Nagel Johannes Gutenberg-Universität Mainz, Germany
Ramon Nou Barcelona Supercomputing Center, Spain
Franz-Josef Pfreundt Fraunhofer ITWM, Germany
Juan Piernas Cánovas Universidad de Murcia, Spain
Rekha Singhal Tata Consultancy Services, India
Josef Weidendorfer TU Munich, Germany
Soraya Zertal University of Versailles, France
Organization IX
Program Committee
Stergios Anastasiadis University of Ioannina, Greece
Jakob Blomer CERN, Europe
Eduardo César Universidad Autonoma de Barcelona, Spain
Stephen Crago USC ISI, USA
Tommaso Cucinotta St. Anna School of Advanced Studies, Italy
Christoffer Dall Columbia University, USA
Patrick Dreher MIT, USA
Kyle Hale Northwestern University, USA
Brian Kocoloski University of Pittsburgh, USA
Uday Kurkure VMware, USA
Nectarios Koziris National Technical University of Athens, Greece
John Lange University of Pittsburgh, USA
Giuseppe Lettieri University of Pisa, Italy
Qing Liu Oak Ridge National Laboratory, USA
Nikos Parlavantzas INSA Rennes, France
Kevin Pedretti Sandia National Laboratories, USA
Amer Qouneh Western New England University, USA
Carlos Reaño Technical University of Valencia, Spain
Borja Sotomayor University of Chicago, USA
Craig Stewart Indiana University, USA
Anata Tiwari San Diego Supercomputer Center, USA
Kurt Tutschku Blekinge Institute of Technology, Sweden
Yasuhiro Watashiba Osaka University, Japan
Chao-Tung Yang Tunghai University, Taiwan
Andrew Younge Sandia National Laboratory, USA
Na Zhang VMware, USA
Program Committee
Bartosz Borucki University of Warsaw, Poland
Hadrien Calmet Barcelona Supercomputing Center, Spain
Hank Childs University of Oregon, USA
Steffen Frey University of Stuttgart, Germany
Jens Henrik Göbbert Forschungszentrum Jülich GmbH, Germany
Bernd Hentschel RWTH Aachen University, Germany
Glendon Holst KAUST, Saudi Arabia
Julien Jomier Kitware, France
Joanna Leng University of Leeds, UK
Kenneth Moreland Sandia National Laboratories, USA
Benson Muite University of Tartu, Estonia
Joachim Pouderoux Kitware, France
Thomas Theussl KAUST, Saudi Arabia
Tom Vierjahn RWTH Aachen University, Germany
Gunther Weber Lawrence Berkeley National Lab, USA
Ahmed Zawawi Saudi Aramco, Saudi Arabia
Program Committee
Taisuke Boku University of Tsukuba, Japan
Ron Brightwell Sandia National Laboratories, USA
Hans Eberle NVIDIA, Germany
Ada Gavrilovska Georgia Tech, USA
Brice Goglin Inria, France
Dror Goldenberg Mellanox Technologies, Israel
R. Govindarajan Indian Institute of Science, Bangalore, India
Ryan Grant Sandia National Laboratories, USA
Hai Jin Huazhong University of Science and Technology,
China
Sven Karlsson Technical University of Denmark, Denmark
Takeshi Nanri University of Kyushu, Japan
Dimitrios Nikolopoulos Queen’s University of Belfast, UK
Antonio Pena Barcelona Supercomputing Center, Spain
Sebastien Rumley Columbia University, USA
Smruti Ranjan Sarangi Indian Institute of Technology, Delhi, India
Martin Schulz Lawrence Livermore National Laboratory, USA
Organization XI
Program Committee
Zaid Al-Ars TU Delft, The Netherlands
Manuel Arenaz University of Coruña/Appentra, Spain
Hugh Blemings OpenPOWER Foundation, USA
Carlo Cavazzoni CINECA, Italy
Sunita Chandrasekaran University of Delaware, USA
Barbara Chapman Stony Brook University, USA
Norbert Eicker Jülich Supercomputing Centre, Germany
Christoph Hagleitner IBM Research, Switzerland
Oscar Hernandez (Co-chair) Oak Ridge National Laborator, USA
Peter Hofstee IBM, USA
Wen-Mei Hwu University of Illinois, USA
Guido Juckeland TU Dresden, Germany
Graham Lopez (Co-chair) Oak Ridge National Laboratory, USA
Barney Maccabe Oak Ridge National Laboratory, USA
Marek Michaelewicz University of Warsaw, Poland
Rob Neely Lawrence Livermore National Laboratory, USA
Duncan Poole NVIDIA, USA
Stéphane Requena GENCI, France
Vivek Sarkar Rice University, USA
Fabio Schifano University of Ferrara, Italy
Jim Sexton IBM, USA
Gilad Shainer Mellanox, Israel
Tjerk Straatsma Oak Ridge National Laboratory, USA
Bronis de Supinski Lawrence Livermore National Laboratory, USA
Michael Wolfe NVIDIA/PGI, USA
Malgorzata Zimon IBM Research, UK
XII Organization
Program Committee
Damian Alvarez-Mallon Jülich Supercomputing Centre, Germany
Taisuke Boku University of Tsukuba, Japan
Jeanine Cook Sandia National Laboratories, USA
Douglas Doerfler NERSC and Lawrence Berkeley National Laboratory,
USA
Richard Gerber Lawrence Berkeley National Laboratory and NERSC,
USA
Clay Hughes Sandia National Laboratories, USA
Juha Jaykka The University of Cambridge, UK
Michael Klemm Intel, Germany
David Martin Argonne National Laboratory, USA
Simon McIntosh-Smith Bristol University, UK
Kent Milfeld TACC, USA
Hai Ah Nam Los Alamos National Laboratory, USA
John Pennycook Intel, USA
Hideki Saito Intel, USA
Thomas Steinke ZIB, Germany
Estela Suarez Jülich Supercomputing Centre, Germany
Vit Vondrak Technical University of Ostrava, Czech Republic
Zhengji Zhao Lawrence Berkeley National Laboratory, USA
Program Committee
Carlos Jaime Barrios Universidad Industrial de Santander, Colombia
Angelos Bilas ICS FORTH, Greece
Harold Castr Universidad de los Andes, Colombia
F. Javier García-Blas Carlos III University of Madrid, Spain
J. Daniel Garcia Carlos III University of Madrid, Spain
Alexey Lastoveysky University College, Ireland
Laurent Lefevre Ecole Normale Superiour Lyon, France
Organization XIII
Program Committee
Mahwish Arif Queen’s University of Belfast, UK
Henry-Pierre Charles CEA, France
Dionysios Diamantopoulos IBM Research, Switzerland
Andrew Emerson CINECA, Italy
Luca Gammaitoni University of Perugia, Italy
Frank K. Gurkaynak ETH Zurich, Switzerland
Corine Lamagdeleine GreenWaves Technologies, France
Michela Milano University of Bologna, Italy
Andres Tomas-Dominguez Jaume I University, Spain
Norbert Wehn University of Kaiserslautern, Germany
Program Committee
Christoph Angerer NVIDIA, Germany
Peter Dueben ECMWF, UK
Axel Köhler NVIDIA, Germany
Peter Messmer NVIDIA, Switzerland
Christian Sigg Google, Switzerland
Jean-Roch Vlimant California Institute of Technology, USA
XIV Organization
Program Committee
Anastasiia Butko Lawrence Berkeley National Laboratory, USA
Sunita Chandrasekaran University of Delaware, USA
David Donofrio Lawrence Berkeley National Laboratory, USA
Glen Edwards Micron Technology, Inc., USA
Farzad Fatollahi-Fard Lawrence Berkeley National Laboratory, USA
Sven Karlsson Technical University of Denmark, Denmark
Kurt Keville Massachusetts Institute of Technology, USA
John Leidel Texas Tech University and Tactical Computing Labs,
USA
Martin Schulz TU Munich, Germany
John Shalf Lawrence Berkeley National Laboratory, USA
Noel Wheeler Laboratory of Physical Science, USA
Sam Williams Lawrence Berkeley National Laboratory, USA
Program Committee
Amit Amritkar University of Houston, USA
Sridutt Bhalachandra Argonne National Laboratory, USA
Kyle Friedline University of Delaware, USA
Axel Huebl Helmholtz-Zentrum Dresden-Rossendorf and TU
Dresden, Germany
Adrian Jackson The University of Edinburgh, UK
John Leidel Texas Tech University, USA
Antonio J. Peña Barcelona Supercomputing Center, Spain
John Pennycook Intel, USA
Swaroop Pophale Oak Ridge National Laboratory, USA
Suraj Prabhakaran Intel, USA
Robert Searles University of Delaware, USA
Ray Sheppard Indiana University Bloomington, USA
Xiaonan Tian NVIDIA, USA
Antonino Tumeo Politecnico di Milano, Italy
Cheng Wang University of Houston, USA
Sandra Wienke RWTH Aachen University, Germany
Rengan Xu Dell EMC, USA
Contents
From Application to Disk: Tracing I/O Through the Big Data Stack . . . . . . . 89
Robert Schmidtke, Florian Schintke, and Thorsten Schütt
Coupling the Uintah Framework and the VisIt Toolkit for Parallel In Situ
Data Analysis and Visualization and Computational Steering . . . . . . . . . . . . 201
Allen Sanderson, Alan Humphrey, John Schmidt, and Robert Sisneros
Streaming Live Neuronal Simulation Data into Visualization and Analysis . . . 258
Simon Oehrl, Jan Müller, Jan Schnathmeier, Jochen Martin Eppler,
Alexander Peyser, Hans Ekkehard Plesser, Benjamin Weyers,
Bernd Hentschel, Torsten W. Kuhlen, and Tom Vierjahn
Profiling and Debugging Support for the Kokkos Programming Model . . . . . 743
Simon D. Hammond, Christian R. Trott, Daniel Ibanez,
and Daniel Sunderland
1 Introduction
Many public and privately funded data centers host supercomputers for running large
scale simulations and analyzing experimental and observational data. These super-
computers run usually tightly coupled parallel applications that require hardware
components that deliver the best performance. In contrast, commercial data centers,
such as Facebook and Google, execute loosely coupled workloads with a broad
assumption of regular failures. The dimension of the data centers is enormous. A 2013
article summarizes commercial data centers’ dimensions [7]. It estimates, for example,
that Facebook hosts around 100 PB of storage and Google and Microsoft manage
around 1 million servers each – although the hardware is split among several physical
data centers – a modus operandi not suitable for HPC centers. With the hunger for
information, the globally installed storage capacity increases exponentially and is
expected to hit 7,235 Exabytes by 2017 [4]. This trend is visible in the sales reports of
companies such as the disk drive manufacturer Seagate. Within 5 years, they shipped 1
billion HDDs, which means 700.000 units every day [6]. With state-of-the-art 8 TB
disks, this would already account for 5.5 exabyte of capacity by day.
Management of the huge amount of data is vital for effective use of the contained
information. However, with limited budgets, it is a daunting task for data center
operators, especially as design and storage system required hardware depends heavily
on the executed workloads. A co-factor of the increasing difficulty is the increase in
complexity of the storage hierarchy with the adoption of SSD and memory class
storage technology. The US Department of Energy recognizes the importance of data
management, listing it among the top 10 research challenges for Exascale [5].
There are several initiatives, consortia and special tracks in conferences that target
RD&E audiences. Examples are the Storage Networking Industry Association (SNIA)
for enterprises, the Big Data and Extreme-Scale Computing (BDEC) initiative1,
1
http://www.exascale.org/bdec/.
HPC I/O in the Data Center Workshop (HPC-IODC 2018) 3
the Exascale10 workgroup [2], the Parallel Data Storage Workshop/Data Intensive
Scalable Computing Systems (PDSW-DISCS) and the HEC FSIO workshop [1].
There are many I/O workloads studies and performance analysis reports for parallel
I/O available. Additionally, many surveys of enterprise technology usage include
predictions of analysis for future storage technology and the storage market such as [3].
However, analysis conducted for HPC typically focuses on applications and not on the
data center perspective. Information about data center operational aspects is usually
described in file system specific user groups and meetings or described partially in
research papers as part of the evaluation environment.
In this workshop, we bring together I/O experts from data centers and application
workflows to share current practices for scientific workflows, issues and obstacles for
both hardware and the software stack, and R&D to overcome these issues. This year,
we worked closely together with the Workshop on Performance and Scalability of
Storage Systems (WOPSSS) in respect to the overall agenda organization and planned a
joint morning session and split into two separate workshops in the afternoon.
2
http://vi4io.org.
4 J. M. Kunkel and J. Lofstead
3 Workshop Summary
Throughout the day, on average more than 40 participants attended the workshop. At a
detailed level, we peaked at the following attendance in each of the four sessions (the
first two shared with WOPSSS).
– First Session: 50
– After Morning Break: 45
– After Lunch: 30
– After Afternoon Break: 33
We had a good mix of talks from I/O experts, data center relevant research and two
discussion sessions. A short summary of the presentations is given in the following.
The slides of the presentations are available on the workshop’s webpage: https://hps.
vi4io.org/events/2018/iodc.
After a joint welcome message of HPC-IODC with WOPSSS, an invited keynote
was given by Phil Carns (Argonne National Laboratory). In his talk “Understanding
and Tuning HPC I/O”, the OODA (Observe, Orient, Decide, and Act) loop was used to
structure and illustrate challenges and tools in respect to I/O monitoring and analysis.
HPC I/O in the Data Center Workshop (HPC-IODC 2018) 5
– First, Lionel Vincent introduced a strategy from Bull for Self-Optimized Strategy
for IO Accelerator Parametrization. In this approach, the system learns to set
tuning parameters that are unspecified by users. A gradient-free optimization
method is used to determine the next candidate value for a parameter.
– Next, Patrick Widener talked about Addressing data center storage diversity for
high-performance computing applications using Faodel. As data management
service, it acts as a middleware between asynchronous or bulk-sychronous appli-
cations, resource manager, analysis, and data caching. The design and architecture
is described together with use-cases.
– Then, Glenn Lockwood spoke about Planning for the Future of Storage for
HPC: 2020, 2025, and Beyond for NERSC. Firstly, the current and planned
infrastructure is introduced. An overall roadmap of NERSC is described discussing
6 J. M. Kunkel and J. Lofstead
issues with the current and future storage hierarchy alongside with technological
trends.
– Next, Stephen Simms described a collaboration with DDN for Lustre-On-ZFS.
After praising the benefits of ZFS a performance study is conducted. It turned out,
that LDISKFS has compared to ZFS still a performance advantage in terms of the
metadata operations getattr and setattr.
– Next, Simon Smart described the Development of a high-performance dis-
tributed object-store for Numerical Weather Prediction and Climate model
data. After describing the ECMWF workflow, the MARS database is introduced
that allows scientists to address data using scientific metadata from a fixed catalog.
Additional insight about the usage of NVM is provided.
– Finally, Juan R. Herrera introduced approaches for Exploiting Nonvolatile mem-
ory for HPC. The talk illustrated the NextGenIO project which utilizing new
hardware technology develops tools for analyzing I/O.
– Pynamic - because lots of Python is loaded on start for the analytics apps load. Lots
of opens and closes for the Python packages. This is important when providing
software on the storage.
– MDWorkbench - metadata latency testing tool
– LMDB - machine learning (MMAP IO)
– DASK - out of core Panda Frames (machine learning toolkits data representations)
– Graph 500
– Miraculus - Glen does not recommend
– BLAST IOR trace - pattern matching genomics
– Seven dwarves of data anaytics - mostly compute
HPC I/O in the Data Center Workshop (HPC-IODC 2018) 7
References
1. Bancroft, M., Bent, J., Felix, E., Grider, G., Nunez, J., Poole, S., Ross, R., Salmon, E., Ward,
L.: Hec fsio 2008 workshop report. In: High End Computing Interagency Working Group
(HECIWG), Sponsored File Systems and I/O Workshop HEC FSIO (2009)
2. Brinkmann, A., Cortes, T., Falter, H., Kunkel, J., Narasimhamurthy, S.: E10 – Exascale IO,
June 2014
3. IDC: Enterprise storage services survey. http://www.idc.com/getdoc.jsp?containerId=254468
4. International Data Corporation. http://www.businesswire.com/news/home/20131021005243/
en/IDCs-Outlook-Data-Byte-Density-Globe-Big
5. Lucas, R., Committee members: Top ten exascale research challenges, February 2014. http://
science.energy.gov/*/media/ascr/ascac/pdf/meetings/20140210/Top10reportFEB14.pdf
6. Seagate: Storage Solutions Guide. http://www.seagate.com/files/www-content/product-
content/_cross-product/en-us/docs/seagate-storage-and-application-guide-apac.pdf
7. StorageServers Blog: Facts and stats of world’s largest data centers, July 2013. https://
storageservers.wordpress.com/2013/07/17/facts-and-stats-of-worlds-largest-data-centers/
3
For the IO-500 benchmark, see http://io500.org.
Analyzing the I/O Scalability of a Parallel
Particle-in-Cell Code
1 Introduction
The authors thank the Acronym developer team for their contributions and the good
teamwork. Special thanks goes to Gerald Mathias for reading the manuscript and
providing valuable feedback. Computations for this project were done on SuperMUC
at LRZ, a member of the Gauss Centre for Supercomputing (GCS).
c Springer Nature Switzerland AG 2018
R. Yokota et al. (Eds.): ISC 2018 Workshops, LNCS 11203, pp. 9–22, 2018.
https://doi.org/10.1007/978-3-030-02465-9_1
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