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DOE OSTI2011

Preserving Collective Performance Across Process Failure for a Fault Tolerant MPI

Application developers are investigating Algorithm Based Fault Tolerance (ABFT) techniques to improve the efficiency of application recovery beyond what traditional techniques alone can provide. Applications will depend on libraries to sustain failure-free performance across process failure to continue to efficiently use High Performance Computing (HPC) systems even in the presence of process failure. Optimized Message Passing Interface (MPI) collective operations are a critical component of many scalable HPC applications. However, most of the collective algorithms are not able to handle process failure. Next generation MPI implementations must provide fault aware versions of such algorithms that can sustain performance across process failure. This paper discusses the design and implementation of fault aware collective algorithms for tree structured communication patterns. The three design approaches of rerouting, lookup avoiding and rebalancing are described, and analyzed for their performance impact relative to a similar fault unaware collective algorithm. The analysis shows that the rerouting approach causes up to a four times performance degradation while the rebalancing approach can bring the performance within 1% of the fault unaware performance. Additionally, this paper introduces the reader to a set of run-through stabilization semantics being developed by the MPI Forum's Fault Tolerance Working Group to support ABFT. This paper underscores the need for care to be taken when designing new fault aware collective algorithms for fault tolerant MPI implementations.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2010

LBMD : a layer-based mesh data structure tailored for generic API infrastructures.

A new mesh data structure is introduced for the purpose of mesh processing in Application Programming Interface (API) infrastructures. This data structure utilizes a reduced mesh representation to increase its ability to handle significantly larger meshes compared to full mesh representation. In spite of the reduced representation, each mesh entity (vertex, edge, face, and region) is represented using a unique handle, with no extra storage cost, which is a crucial requirement in most API libraries. The concept of mesh layers makes the data structure more flexible for mesh generation and mesh modification operations. This flexibility can have a favorable impact in solver based queries of finite volume and multigrid methods. The capabilities of LBMD make it even more attractive for parallel implementations using Message Passing Interface (MPI) or Graphics Processing Units (GPUs). The data structure is associated with a new classification method to relate mesh entities to their corresponding geometrical entities. The classification technique stores the related information at the node level without introducing any ambiguities. Several examples are presented to illustrate the strength of this new data structure.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2011

Cheetah: A Framework for Scalable Hierarchical Collective Operations

Collective communication operations, used by many scientific applications, tend to limit overall parallel application performance and scalability. Computer systems are becoming more heterogeneous with increasing node and core-per-node counts. Also, a growing number of data-access mechanisms, of varying characteristics, are supported within a single computer system. We describe a new hierarchical collective communication framework that takes advantage of hardware-specific data-access mechanisms. It is flexible, with run-time hierarchy specification, and sharing of collective communication primitives between collective algorithms. Data buffers are shared between levels in the hierarchy reducing collective communication management overhead. We have implemented several versions of the Message Passing Interface (MPI) collective operations, MPI Barrier() and MPI Bcast(), and run experiments using up to 49, 152 processes on a Cray XT5, and a small InfiniBand based cluster. At 49, 152 processes our barrier implementation outperforms the optimized native implementation by 75%. 32 Byte and one Mega-Byte broadcasts outperform it by 62% and 11%, respectively, with better scalability characteristics. Improvements relative to the default Open MPI implementation are much larger.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2012

Managing coherence via put/get windows

A method and apparatus for managing coherence between two processors of a two processor node of a multi-processor computer system. Generally the present invention relates to a software algorithm that simplifies and significantly speeds the management of cache coherence in a message passing parallel computer, and to hardware apparatus that assists this cache coherence algorithm. The software algorithm uses the opening and closing of put/get windows to coordinate the activated required to achieve cache coherence. The hardware apparatus may be an extension to the hardware address decode, that creates, in the physical memory address space of the node, an area of virtual memory that (a) does not actually exist, and (b) is therefore able to respond instantly to read and write requests from the processing elements.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2011

A case for Virtual Machine based Fault Injection in a High-Performance Computing Environment

Large-scale computing platforms provide tremendous capabilities for scientific discovery. These systems have hundreds of thousands of computing cores, hundreds of terabytes of memory, and enormous high-performance interconnection networks. These systems are facing enormous challenges to achieve performance at such scale. Failures are an Achilles heel of these enormous systems. As applications and system software scale up to multi-petaflop and beyond to exascale platforms, the occurrence of failure will be much more common. This has given rise to a push in fault-tolerance and resilience research for HPC systems. This includes work on log analysis to identify types of failures, enhancements to the Message Passing Interface (MPI) to incorporate fault awareness, and a variety of fault tolerance mechanisms that span redundant computation, algorithm based fault tolerance, and advanced checkpoint/restart techniques. While there is much work to be done on the FT/Resilience mechanisms for such large-scale systems, there is also a profound gap in the tools for experimentation. This gap is compounded by the fact that HPC environments have stringent performance requirements and are often highly customized. The tool chain for these systems are often tailored for the platform and while the majority of systems on the Top500 Supercomputer list run Linux, these operating environments typically contain many site/machine specific enhancements. Therefore, it is desirable to maintain a consistent execution environment to minimize end-user (scientist) interruption. The work on system-level virtualization for HPC system offers a unique opportunity to maintain a consistent execution environment via a virtual machine (VM). Recent work on virtualization for HPC has shown that low-overhead, high performance systems can be realized. Virtualization also provides a clean abstraction for building experimental tools for investigation into the effects of failures in HPC and the related research on FT/Resilience mechanisms and policies. In this paper we discuss the motivation for tools to perform fault injection in an HPC context, and outline an approach that can leverage virtualization.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2012

File I/O for MPI Applications in Redundant Execution Scenarios

As multi-petascale and exa-scale high-performance computing (HPC) systems inevitably have to deal with a number of resilience challenges, such as a significant growth in component count and smaller circuit sizes with lower circuit voltages, redundancy may offer an acceptable level of resilience that traditional fault tolerance techniques, such as checkpoint/restart, do not. Although redundancy in HPC is quite controversial due to the associated cost for redundant components, the constantly increasing number of cores-per-processor is tilting this cost calculation toward a system design where computation, such as for redundancy, is much cheaper and communication, needed for checkpoint/restart, is much more expensive. Recent research and development activities in redundancy for Message Passing Interface (MPI) applications focused on availability/reliability models and replication algorithms. This paper takes a first step toward solving an open research problem associated with running a parallel application redundantly, which is file I/O under redundancy. The approach intercepts file I/O calls made by a redundant application to employ coordination protocols that execute file I/O operations in a redundancy-oblivious fashion when accessing a node-local file system, or in a redundancy-aware fashion when accessing a shared networked file system. A proof-of concept prototype is presented and a number of coordination protocols are described and evaluated. The results show the performance impact for redundantly accessing a shared networked file system, but also demonstrate the capability to regain performance by utilizing MPI communication between replicas and parallel file I/O.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2012

Simplifying and speeding the management of intra-node cache coherence

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2012

A Fast Parallel Simulation Code for Interaction between Proto-Planetary Disk and Embedded Proto-Planets: Implementation for 3D Code

We develop a 3D simulation code for interaction between the proto-planetary disk and embedded proto-planets. The protoplanetary disk is treated as a three-dimensional (3D), self-gravitating gas whose motion is described by the locally isothermal Navier-Stokes equations in a spherical coordinate centered on the star. The differential equations for the disk are similar to those given in Kley et al. (2009) with a different gravitational potential that is defined in Nelson et al. (2000). The equations are solved by directional split Godunov method for the inviscid Euler equations plus operator-split method for the viscous source terms. We use a sub-cycling technique for the azimuthal sweep to alleviate the time step restriction. We also extend the FARGO scheme of Masset (2000) and modified in Li et al. (2001) to our 3D code to accelerate the transport in the azimuthal direction. Furthermore, we have implemented a reduced 2D (r, {theta}) and a fully 3D self-gravity solver on our uniform disk grid, which extends our 2D method (Li, Buoni, & Li 2008) to 3D. This solver uses a mode cut-off strategy and combines FFT in the azimuthal direction and direct summation in the radial and meridional direction. An initial axis-symmetric equilibrium disk is generated via iteration between the disk density profile and the 2D disk-self-gravity. We do not need any softening in the disk self-gravity calculation as we have used a shifted grid method (Li et al. 2008) to calculate the potential. The motion of the planet is limited on the mid-plane and the equations are the same as given in D'Angelo et al. (2005), which we adapted to the polar coordinates with a fourth-order Runge-Kutta solver. The disk gravitational force on the planet is assumed to evolve linearly with time between two hydrodynamics time steps. The Planetary potential acting on the disk is calculated accurately with a small softening given by a cubic-spline form (Kley et al. 2009). Since the torque is extremely sensitive to the position of the planet, we adopt the corotating frame that allows the planet moving only in radial direction if only one planet is present. This code has been extensively tested on a number of problems. For the earthmass planet with constant aspect ratio h = 0.05, the torque calculated using our code matches quite well with the the 3D linear theory results by Tanaka et al. (2002). The code is fully parallelized via message-passing interface (MPI) and has very high parallel efficiency. Several numerical examples for both fixed planet and moving planet are provided to demonstrate the efficacy of the numerical method and code.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2012

Taming Wild Horses: The Need for Virtual Time-based Scheduling of VMs in Network Simulations

The next generation of scalable network simulators employ virtual machines (VMs) to act as high-fidelity models of traffic producer/consumer nodes in simulated networks. However, network simulations could be inaccurate if VMs are not scheduled according to virtual time, especially when many VMs are hosted per simulator core in a multi-core simulator environment. Since VMs are by default free-running, on the outset, it is not clear if, and to what extent, their untamed execution affects the results in simulated scenarios. Here, we provide the first quantitative basis for establishing the need for generalized virtual time scheduling of VMs in network simulators, based on an actual prototyped implementations. To exercise breadth, our system is tested with multiple disparate applications: (a) a set of message passing parallel programs, (b) a computer worm propagation phenomenon, and (c) a mobile ad-hoc wireless network simulation. We define and use error metrics and benchmarks in scaled tests to empirically report the poor match of traditional, fairness-based VM scheduling to VM-based network simulation, and also clearly show the better performance of our simulation-specific scheduler, with up to 64 VMs hosted on a 12-core simulator node.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2012

PRATHAM: Parallel Thermal Hydraulics Simulations using Advanced Mesoscopic Methods

At the Oak Ridge National Laboratory, efforts are under way to develop a 3D, parallel LBM code called PRATHAM (PaRAllel Thermal Hydraulic simulations using Advanced Mesoscopic Methods) to demonstrate the accuracy and scalability of LBM for turbulent flow simulations in nuclear applications. The code has been developed using FORTRAN-90, and parallelized using the message passing interface MPI library. Silo library is used to compact and write the data files, and VisIt visualization software is used to post-process the simulation data in parallel. Both the single relaxation time (SRT) and multi relaxation time (MRT) LBM schemes have been implemented in PRATHAM. To capture turbulence without prohibitively increasing the grid resolution requirements, an LES approach [5] is adopted allowing large scale eddies to be numerically resolved while modeling the smaller (subgrid) eddies. In this work, a Smagorinsky model has been used, which modifies the fluid viscosity by an additional eddy viscosity depending on the magnitude of the rate-of-strain tensor. In LBM, this is achieved by locally varying the relaxation time of the fluid.

LBM↗

DOE OSTI2013

End-to-End Data Movement Using MPI-IO Over Routed Terabots Infrastructures

Scientific discovery is nowadays driven by large-scale simulations running on massively parallel high-performance computing (HPC) systems. These applications each generate a large amount of data, which then needs to be post-processed for example for data mining or visualization. Unfortunately, the computing platform used for post processing might be different from the one on which the data is initially generated, introducing the challenge of moving large amount of data between computing platforms. This is especially challenging when these two platforms are geographically separated since the data needs to be moved between computing facilities. This is even more critical when scientists tightly couple their domain specific applications with a post processing application. The paper presents a solution for the data transfer between MPI applications using a dedicated wide area network (WAN) terabit infrastructure. The proposed solution is based on parallel access to data files and the Message Passing Interface (MPI) over the Common Communication Infrastructure (CCI) for the data transfer over a routed infrastructure. In the context of this research, the Energy Sciences Network (ESnet) of the U.S. Department of Energy (DOE) is targeted for the transfer of data between DOE national laboratories.

Vallee, Geoffroy R↗

DOE OSTI2014

Using Performance Tools to Support Experiments in HPC Resilience

The high performance computing (HPC) community is working to address fault tolerance and resilience concerns for current and future large scale computing platforms. This is driving enhancements in the programming environ- ments, specifically research on enhancing message passing libraries to support fault tolerant computing capabilities. The community has also recognized that tools for resilience experimentation are greatly lacking. However, we argue that there are several parallels between performance tools and resilience tools . As such, we believe the rich set of HPC performance-focused tools can be extended (repurposed) to benefit the resilience community. In this paper, we describe the initial motivation to leverage standard HPC per- formance analysis techniques to aid in developing diagnostic tools to assist fault tolerance experiments for HPC applications. These diagnosis procedures help to provide context for the system when the errors (failures) occurred. We describe our initial work in leveraging an MPI performance trace tool to assist in provid- ing global context during fault injection experiments. Such tools will assist the HPC resilience community as they extend existing and new application codes to support fault tolerances.

Boehm, Swen↗

DOE OSTI2014

Simulating Billion-Task Parallel Programs

In simulating large parallel systems, bottom-up approaches exercise detailed hardware models with effects from simplified software models or traces, whereas top-down approaches evaluate the timing and functionality of detailed software models over coarse hardware models. Here, we focus on the top-down approach and significantly advance the scale of the simulated parallel programs. Via the direct execution technique combined with parallel discrete event simulation, we stretch the limits of the top-down approach by simulating message passing interface (MPI) programs with millions of tasks. Using a timing-validated benchmark application, a proof-of-concept scaling level is achieved to over 0.22 billion virtual MPI processes on 216,000 cores of a Cray XT5 supercomputer, representing one of the largest direct execution simulations to date, combined with a multiplexing ratio of 1024 simulated tasks per real task.

Perumalla, Kalyan S↗

DOE OSTI2014

Optimization and Parallelization of the Thermal-Hydraulic Sub-channel Code CTF for High-Fidelity Multi-physics Applications

This paper describes major improvements to the computational infrastructure of the CTF sub-channel code so that full-core sub-channel-resolved simulations can now be performed in much shorter run-times, either in stand-alone mode or as part of coupled-code multi-physics calculations. These improvements support the goals of the Department Of Energy (DOE) Consortium for Advanced Simulations of Light Water (CASL) Energy Innovation Hub to develop high fidelity multi-physics simulation tools for nuclear energy design and analysis. A set of serial code optimizations--including fixing computational inefficiencies, optimizing the numerical approach, and making smarter data storage choices--are first described and shown to reduce both execution time and memory usage by about a factor of ten. Next, a Single Program Multiple Data (SPMD) parallelization strategy targeting distributed memory Multiple Instruction Multiple Data (MIMD) platforms and utilizing domain-decomposition is presented. In this approach, data communication between processors is accomplished by inserting standard MPI calls at strategic points in the code. The domain decomposition approach implemented assigns one MPI process to each fuel assembly, with each domain being represented by its own CTF input file. The creation of CTF input files, both for serial and parallel runs, is also fully automated through use of a pre-processor utility that takes a greatly reduced set of user input over the traditional CTF input file. To run CTF in parallel, two additional libraries are currently needed; MPI, for inter-processor message passing, and the Parallel Extensible Toolkit for Scientific Computation (PETSc), which is leveraged to solve the global pressure matrix in parallel. Results presented include a set of testing and verification calculations and performance tests assessing parallel scaling characteristics up to a full core, sub-channel-resolved model of Watts Bar Unit 1 under hot full-power conditions (193 17x17 assemblies, ~56,000 pins, ~59,000 sub-channels, ~2.8 million thermal-hydraulic (TH) control volumes). Results demonstrate that CTF can now perform full core analysis (not previously possible due to excessively long runtimes and memory requirements) on the order of 20 minutes. This new capability is not only useful to standalone CTF users, but is also being leveraged in support of coupled code multi-physics calculations being done in the CASL program.

COBRA-TF↗

DOE OSTI2013

Tools for Simulation and Benchmark Generation at Exascale

The path to exascale high-performance computing (HPC) poses several challenges related to power, performance, resilience, productivity, programmability, data movement, and data management. Investigating the performance of parallel applications at scale on future architectures and the performance impact of different architecture choices is an important component of HPC hardware/software co-design. Simulations using models of future HPC systems and communication traces from applications running on existing HPC systems can offer an insight into the performance of future architectures. This work targets technology developed for scalable application tracing of communication events and memory profiles, but can be extended to other areas, such as I/O, control flow, and data flow. It further focuses on extreme-scale simulation of millions of Message Passing Interface (MPI) ranks using a lightweight parallel discrete event simulation (PDES) toolkit for performance evaluation. Instead of simply replaying a trace within a simulation, the approach is to generate a benchmark from it and to run this benchmark within a simulation using models to reflect the performance characteristics of future-generation HPC systems. This provides a number of benefits, such as eliminating the data intensive trace replay and enabling simulations at different scales. The presented work utilizes the ScalaTrace tool to generate scalable trace files, the ScalaBenchGen tool to generate the benchmark, and the xSim tool to run the benchmark within a simulation.

Lagadapati, Mahesh↗

DOE OSTI2012

Parallel Harness for Informatic Stream Hashing

PHISH is a lightweight framework which a set of independent processes can use to exchange data as they run on the same desktop machine, on processors of a parallel machine, or on different machines across a network. This enables them to work in a coordinated parallel fashion to perform computations on either streaming, archived, or self-generated data. The PHISH distribution includes a simple, portable library for performing data exchanges in useful patterns either via MPI message-passing or ZMQ sockets. PHISH input scripts are used to describe a data-processing algorithm, and additional tools provided in the PHISH distribution convert the script into a form that can be launched as a parallel job.

Steve Plimpton, Tim Shead↗

DOE OSTI2013

Hybrid MPI

Enables parallel applications wrriten to use the Message Passing Interface Standard to communicate across different processors to more efficiently leverage shared memory hardware devices.

Source record↗

DOE OSTI2010

EMGeo 3.0

EMGeo 3.0 an algorithm that improves both the computational capabilities of joint 3D electromagnetic, EM and magnetotelluric and acoustic seismic wavefield simulation and inverse modeling. This seismic wavefield module requires that data be transformed first to the Laplace-Fourier Domain before processing. The inverse modeling is based upon non-liner conjugated gradients and 3D finite differences approximations of the seismic, EM and MT wavefields. Improved modeling efficiencies are obtain by separating the modeling grid from the simulation grid. This grid separation method allows for treatment of very large data sets and imaging volumes. Further computational efficiency is obtained by combining different levels of parallezation using the Message Passing Interface (MPI). Bound constraints are employed in the imaging process to insure stability. Additional acceleration of the inverse modeling is achieved by preconditioning the conjugate gradient optimizer using an approximate Hessian. The algorithm includes improved capabilities to accurately treat models that exhibit transverse anisotropy in the electrical conductivity. However, the seismic acoustic velocity is assumed to be isotropic. Models exhibiting topography and bathymetry can be treated. The software also includes a set of pre and post processing tools for designing input model meshes and data plotting.

Gregory Newman, Michael Commer↗