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At least 415 records · Page 23

Cooperative storage of shared files in a parallel computing system with dynamic block size

Improved techniques are provided for parallel writing of data to a shared object in a parallel computing system. A method is provided for storing data generated by a plurality of parallel processes to a shared object in a parallel computing system. The method is performed by at least one of the processes and comprises: dynamically determining a block size for storing the data; exchanging a determined amount of the data with at least one additional process to achieve a block of the data having the dynamically determined block size; and writing the block of the data having the dynamically determined block size to a file system. The determined block size comprises, e.g., a total amount of the data to be stored divided by the number of parallel processes. The file system comprises, for example, a log structured virtual parallel file system, such as a Parallel Log-Structured File System (PLFS).

97 MATHEMATICS AND COMPUTING↗

Parallel streaming between heterogeneous HPC resources for real-time analysis

Performing analysis or generating visualizations concurrently with high performance simulations can yield great benefits compared to post-processing data. Writing and reading large volumes of data can be reduced or eliminated, thereby producing an I/O cost savings. One such method for concurrent simulation and analysis is in transit - streaming data from the resource running the simulation to a separate resource running the analysis. In transit analysis can be beneficial since computational resources may not have certain resources needed for visualization and analysis (e.g. GPUs) and to reduce the impact of performing analysis tasks to the run time of the simulation. When sending and receiving data in transit, data redistribution mechanisms are needed in order to support heterogeneous data layouts that may be required by the simulation and analysis applications. The work described in this paper compares two mechanisms for on-the-fly data redistribution when streaming data in parallel between two distributed memory applications. Finally, our results show that it is often more advantageous to stream data in the same layout as the sender and redistribute data amongst processes on the receiving end than to stream data in the final layout needed by the receiver.

97 MATHEMATICS AND COMPUTING↗

Performance of a class of parallel spread-spectrum code acquisition schemes in the presence of data modulation

An acquisition procedure for data-modulated direct-sequence spread-spectrum systems is investigated. The correlation time is partitioned into subintervals, and the integration results in these subintervals are noncoherently combined for detection. The tradeoff between noncoherent combining loss and data modulation degradation guides the optimum choice of the number of subintervals. Two forms of data modulation are considered, namely, the alternate-data and random-data cases. The parallel acquisition schemes discussed allow multiple code-phase offsets to be examined at each test. The circular state diagram approach is used to analyze the performances of these schemes. The theory presented is valid for a class of such parallel schemes.

Cheng, Unjeng↗

Evaluation of RDBMS packages for use in astronomy

Tabular data sets arise in many areas of astronomical data analysis, from raw data (such as photon event lists) to final results (such as source catalogs). The Starlink catalog access and reporting package, SCAR, was originally developed to handle IRAS data and it has been the principal relational DBMS in the Starlink software collection for several years. But SCAR has many limitations and is VMS-specific, while Starlink is in transition from VMS to Unix. Rather than attempt a major re-write of SCAR for Unix, it seemed more sensible to see whether any existing database packages are suitable for general astronomical use. The authors first drew up a list of desirable properties for such a system and then used these criteria to evaluate a number of packages, both free ones and those commercially available. It is already clear that most commercial DBMS packages are not very well suited to the requirements; for example, most cannot carry out efficiently even fairly basic operations such as joining two catalogs on an approximate match of celestial positions. This paper reports the results of the evaluation exercise and notes the problems in using a standard DBMS package to process scientific data. In parallel with this the authors have started to develop a simple database engine that can handle tabular data in a range of common formats including simple direct-access files (such as SCAR and Exosat DBMS tables) and FITS tables (both ASCII and binary).

Page, C. G.↗

Scalable training of trustworthy and energy-efficient predictive graph foundation models for atomistic materials modeling: a case study with HydraGNN

We present our work on developing and training scalable, trustworthy, and energy-efficient predictive graph foundation models (GFMs) using HydraGNN, a multi-headed graph convolutional neural network architecture. HydraGNN expands the boundaries of graph neural network (GNN) computations in both training scale and data diversity. It abstracts over message passing algorithms, allowing both reproduction of and comparison across algorithmic innovations that define nearest-neighbor convolution in GNNs. This work discusses a series of optimizations that have allowed scaling up the GFMs training to tens of thousands of GPUs on datasets consisting of hundreds of millions of graphs. Our GFMs use multitask learning (MTL) to simultaneously learn graph-level and node-level properties of atomistic structures, such as energy and atomic forces. Using over 154 million atomistic structures for training, we illustrate the performance of our approach along with the lessons learned on two state-of-the-art US Department of Energy (US-DOE) supercomputers, namely the Perlmutter petascale system at the National Energy Research Scientific Computing Center and the Frontier exascale system at Oak Ridge Leadership Computing Facility. The HydraGNN architecture enables the GFM to achieve near-linear strong scaling performance using more than 2000 GPUs on Perlmutter and 16,000 GPUs on Frontier.

97 MATHEMATICS AND COMPUTING↗

PFLOTRAN: Reactive Flow & Transport Code for Use on Laptops to Leadership-Class Supercomputers. In: Groundwater Reactive Transport Models

PFLOTRAN, a next-generation reactive flow and transport code for modeling subsurface processes, has been designed from the ground up to run efficiently on machines ranging from leadership-class supercomputers to laptops. Based on an object-oriented design, the code is easily extensible to incorporate additional processes. It can interface seamlessly with Fortran 9X, C and C++ codes. Domain decomposition parallelism is employed, with the PETSc parallel framework used to manage parallel solvers, data structures and communication. Features of the code include a modular input file, implementation of high-performance I/O using parallel HDF5, ability to perform multiple realization simulations with multiple processors per realization in a seamless manner, and multiple modes for multiphase flow and multicomponent geochemical transport. Chemical reactions currently implemented in the code include homogeneous aqueous complexing reactions and heterogeneous mineral precipitation/dissolution, ion exchange, surface complexation and a multirate kinetic sorption model. PFLOTRAN has demonstrated petascale performance using 217 processor cores on problems composed of over 2 billion degrees of freedom. The code is currently being applied to simulate uranium transport at the Hanford 300 Area and CO2 sequestration in deep geologic formations.

carbon sequestration↗

Parallel implicit unstructured grid Euler solvers

A mesh-vertex finite volume scheme for solving the Euler equations on triangular unstructured meshes is implemented on an MIMD (multiple instruction/multiple data stream) parallel computer. An explicit four-stage Runge-Kutta scheme is used to solve two-dimensional flow problems. A family of implicit schemes is also developed to solve these problems, where the linear system that arises at each time step is solved by a preconditioned GMRES algorithm. Two partitioning strategies are employed, one that partitions triangles and the other that partitions vertices. The choice of the preconditioner in a distributed memory setting is discussed. All the methods are compared both in terms of elapsed times and convergence rates. It is shown that the implicit schemes offer adequate parallelism at the expense of minimal sequential overhead. The use of a global coarse grid to further minimize this overhead is also investigated. The schemes are implemented on a distributed memory parallel computer, the iPSC/860.

Venkatakrishnan, V.↗

A MIMD implementation of a parallel Euler solver for unstructured grids

A mesh-vertex finite volume scheme for solving the Euler equations on triangular unstructured meshes is implemented on a MIMD (multiple instruction/multiple data stream) parallel computer. Three partitioning strategies for distributing the work load onto the processors are discussed. Issues pertaining to the communication costs are also addressed. We find that the spectral bisection strategy yields the best performance. The performance of this unstructured computation on the Intel iPSC/860 compares very favorably with that on a one-processor CRAY Y-MP/1 and an earlier implementation on the Connection Machine.

Venkatakrishnan, V.↗

Using the GeoFEST Faulted Region Simulation System

GeoFEST (the Geophysical Finite Element Simulation Tool) simulates stress evolution, fault slip and plastic/elastic processes in realistic materials, and so is suitable for earthquake cycle studies in regions such as Southern California. Many new capabilities and means of access for GeoFEST are now supported. New abilities include MPI-based cluster parallel computing using automatic PYRAMID/Parmetis-based mesh partitioning, automatic mesh generation for layered media with rectangular faults, and results visualization that is integrated with remote sensing data. The parallel GeoFEST application has been successfully run on over a half-dozen computers, including Intel Xeon clusters, Itanium II and Altix machines, and the Apple G5 cluster. It is not separately optimized for different machines, but relies on good domain partitioning for load-balance and low communication, and careful writing of the parallel diagonally preconditioned conjugate gradient solver to keep communication overhead low. Demonstrated thousand-step solutions for over a million finite elements on 64 processors require under three hours, and scaling tests show high efficiency when using more than (order of) 4000 elements per processor. The source code and documentation for GeoFEST is available at no cost from Open Channel Foundation. In addition GeoFEST may be used through a browser-based portal environment available to approved users. That environment includes semi-automated geometry creation and mesh generation tools, GeoFEST, and RIVA-based visualization tools that include the ability to generate a flyover animation showing deformations and topography. Work is in progress to support simulation of a region with several faults using 16 million elements, using a strain energy metric to adapt the mesh to faithfully represent the solution in a region of widely varying strain.

Geophyical Finite Element Simulation Tool (GeoFEST↗

Array processor architecture

A high speed parallel array data processing architecture fashioned under a computational envelope approach includes a data base memory for secondary storage of programs and data, and a plurality of memory modules interconnected to a plurality of processing modules by a connection network of the Omega gender. Programs and data are fed from the data base memory to the plurality of memory modules and from hence the programs are fed through the connection network to the array of processors (one copy of each program for each processor). Execution of the programs occur with the processors operating normally quite independently of each other in a multiprocessing fashion. For data dependent operations and other suitable operations, all processors are instructed to finish one given task or program branch before all are instructed to proceed in parallel processing fashion on the next instruction. Even when functioning in the parallel processing mode however, the processors are not locked-step but execute their own copy of the program individually unless or until another overall processor array synchronization instruction is issued.

Barnes, George H.↗

GMI-IPS: Processing & Visualization Software Used in ATom DC-8 Aircraft Studies

NASA's Atmospheric Tomography Mission (ATom) deployed in each of the four seasons during 2016-2018, the DC-8 aircraft in order to establish global-scale datasets intended to improve the representation of chemically reactive gases in global atmospheric chemistry models (ACMs). The Global Modeling Initiative (GMI) executed simulations for each ATom flight using the GMI Chemistry Transport Model (GMI-CTM) to provide species concentrations of chemical gases along the DC-8 flight transects. To solve the problem of translating the GMI-CTM simulation data to the unique spatial resolutions of each ATom flight, the GMI ICARTT Processing Software (GMI-IPS) was developed.The GMI-IPS is written in Python and provides data processing, flight extraction, and visualization support for aircraft research projects using ICARTT format, which is a standard format for airborne instrument data. Additionally, the GMI-IPS interpolates global gridded model data from Hierarchical Data Format (HDF) to ICARTT compatible flight transects. Software classes for instruments and collections provided by the ATom DC-8 aircraft such as MER10, MMS, etc. are derived from a common base class. Other functionality provided by the GMI-IPS are: deriving missing flight entries along a transect, reading ICARTT entries from file, and providing Python data structures for storing flight and model information, and more.The GMI-IPS is GIT source controlled, has approximately 30,000 lines of code, and supports parallelization across data collections. It delivered GMI-CTM data for more than forty distinct DC-8 aircraft flights that took place under ATom. The output ICARTT files adhere to format standard V1.1, and pass the scan utility provided by NASA LaRC Airborne Science Data for Atmospheric Composition. This presentation will include a software and methods overview, and results from ATom, including assessments using the GMI-CTM showing how well observations from ATom flight transects represent a broader region.

Damon, M. R.↗

Phlex: Parallel, Hierarchical, and Layered EXecution of data-processing algorithms

Phlex is a computing framework supporting the parallel, hierarchical, and layered execution of data-processing algorithms. It is based on the functional-programming paradigm, thus guaranteeing thread-safety when invoking user-defined pure functions. Phlex allows users to specify arbitrary graph-based hierarchies of data organization, enabling more flexible processing of data as required by the constraints of the program.

Knoepfel, KyleJ. [Fermi National Accelerator Labor↗

Eigensolution of finite element problems in a completely connected parallel architecture

A parallel algorithm for the solution of the generalized eigenproblem in linear elastic finite element analysis, (K)(phi)=(M)(phi)(omega), where (K) and (M) are of order N, and (omega) is of order q is presented. The parallel algorithm is based on a completely connected parallel architecture in which each processor is allowed to communicate with all other processors. The algorithm has been successfully implemented on a tightly coupled multiple-instruction-multiple-data (MIMD) parallel processing computer, Cray X-MP. A finite element model is divided into m domains each of which is assumed to process n elements. Each domain is then assigned to a processor, or to a logical processor (task) if the number of domains exceeds the number of physical processors. The macro-tasking library routines are used in mapping each domain to a user task. Computational speed-up and efficiency are used to determine the effectiveness of the algorithm. The effect of the number of domains, the number of degrees-of-freedom located along the global fronts and the dimension of the subspace on the performance of the algorithm are investigated. For a 64-element rectangular plate, speed-ups of 1.86, 3.13, 3.18 and 3.61 are achieved on two, four, six and eight processors, respectively.

Akl, Fred A.↗

Integration of a Decentralized Linear-Quadratic-Gaussian Control into GSFC's Universal 3-D Autonomous Formation Flying Algorithm

A decentralized control is investigated for applicability to the autonomous formation flying control algorithm developed by GSFC for the New Millenium Program Earth Observer-1 (EO-1) mission. This decentralized framework has the following characteristics: The approach is non-hierarchical, and coordination by a central supervisor is not required; Detected failures degrade the system performance gracefully; Each node in the decentralized network processes only its own measurement data, in parallel with the other nodes; Although the total computational burden over the entire network is greater than it would be for a single, centralized controller, fewer computations are required locally at each node; Requirements for data transmission between nodes are limited to only the dimension of the control vector, at the cost of maintaining a local additional data vector. The data vector compresses all past measurement history from all the nodes into a single vector of the dimension of the state; and The approach is optimal with respect to standard cost functions. The current approach is valid for linear time-invariant systems only. Similar to the GSFC formation flying algorithm, the extension to linear LQG time-varying systems requires that each node propagate its filter covariance forward (navigation) and controller Riccati matrix backward (guidance) at each time step. Extension of the GSFC algorithm to non-linear systems can also be accomplished via linearization about a reference trajectory in the standard fashion, or linearization about the current state estimate as with the extended Kalman filter. To investigate the feasibility of the decentralized integration with the GSFC algorithm, an existing centralized LQG design for a single spacecraft orbit control problem is adapted to the decentralized framework while using the GSFC algorithm's state transition matrices and framework. The existing GSFC design uses both reference trajectories of each spacecraft in formation and by appropriate choice of coordinates and simplified measurement modeling is formulated as a linear time-invariant system. Results for improvements to the GSFC algorithm and a multiple satellite formation will be addressed. The goal of this investigation is to progressively relax the assumptions that result in linear time-invariance, ultimately to the point of linearization of the non-linear dynamics about the current state estimate as in the extended Kalman filter. An assessment will then be made about the feasibility of the decentralized approach to the realistic formation flying application of the EO-1/Landsat 7 formation flying experiment.

Folta, David C.↗

JSD: Parallel Job Accounting on the IBM SP2

The IBM SP2 is one of the most promising parallel computers for scientific supercomputing - it is fast and usually reliable. One of its biggest problems is a lack of robust and comprehensive system software. Among other things, this software allows a collection of Unix processes to be treated as a single parallel application. It does not, however, provide accounting for parallel jobs other than what is provided by AIX for the individual process components. Without parallel job accounting, it is not possible to monitor system use, measure the effectiveness of system administration strategies, or identify system bottlenecks. To address this problem, we have written jsd, a daemon that collects accounting data for parallel jobs. jsd records information in a format that is easily machine- and human-readable, allowing us to extract the most important accounting information with very little effort. jsd also notifies system administrators in certain cases of system failure.

Saphir, William↗

Joint JSC/GSFC two-TDRS navigation certification results for STS-29, STS-30, and STS-32

The procedures used and the results obtained in the joint Johnson Space Center (JSC)/Goddard Space Flight Center (GSFC) navigation certification of the two-Tracking and Data Relay Satellite (TDRS) S-band tracking configuration for support of low- to medium-inclination (28.5 to 62 degrees) Shuttle missions (STS-29 and STS-30) and Shuttle rendezvous missions (STS-32) are described. The objective of this certification effort was to certify the two-TDRS configuration for nominal Space Transportation System (STS) on-orbit navigation support, thereby making it possible to significantly reduce the ground tracking support requirements for routine STS on-orbit navigation. JSC had the primary responsibility for certification of the two-TDRS configuration for STS support, and GSFC supported the effort by performing Ground Network (GN) and Space Network (SN) tracking data evaluation, parallel orbit solutions, and solution comparisons. In the certification process, two types of orbit determination solutions were generated by JSC and by GSFC for each tracking arc evaluated, one type using TDRS-East and TDRS-West tracking data combined with ground tracking data (the reference solutions) and one type using only TDRS-East and TDRS-West tracking data. The two types of solutions were then compared to determine the maximum position differences over the solution arcs and whether these differences satisfied the navigation certification criteria. The certification criteria were a function of the type of Shuttle activity in the tracking arc, i.e., quiet, moderate, or active. Quiet periods included no attitude maneuvers or ventings; moderate periods included one or two maneuvers or ventings; and active periods included more than two maneuvers or ventings. The results of the individual JSC and GSFC certification analyses for the STS-29, STS-30, and STS-32 missions and the joint JSC/GSFC conclusions regarding certification of the two-TDRS S-band configuration for STS support are presented.

Schmidt, Thomas G.↗

Parallel membership queries on very large scientific data sets using bitmap indexes

© 2019 John Wiley & Sons, Ltd. Many scientific applications produce very large amounts of data as advances in hardware fuel computing and experimental facilities. Managing and analyzing massive quantities of scientific data is challenging as data are often stored in specific formatted files, such as HDF5 and NetCDF, which do not offer appropriate search capabilities. In this research, we investigated a special class of search capability, called membership query, to identify whether queried elements of a set are members of an attribute. Attributes that naturally have classification values appear frequently in scientific domains such as category and object type as well as in daily life such as zip code and occupation. Because classification attribute values are discrete and require random data access, performing a membership query on a large scientific data set creates challenges. We applied bitmap indexing and parallelization to membership queries to overcome these challenges. Bitmap indexing provides high performance not only for low cardinality attributes but also for high cardinality attributes, such as floating-point variables, electric charge, or momentum in a particle physics data set, due to compression algorithms such as Word-Aligned Hybrid. We conducted experiments, in a highly parallelized environment, on data obtained from a particle accelerator model and a synthetic data set.

Yildiz, Beytullah↗

Automatic data partitioning on distributed memory multicomputers

Distributed-memory parallel computers are increasingly being used to provide high levels of performance for scientific applications. Unfortunately, such machines are not very easy to program. A number of research efforts seek to alleviate this problem by developing compilers that take over the task of generating communication. The communication overheads and the extent of parallelism exploited in the resulting target program are determined largely by the manner in which data is partitioned across different processors of the machine. Most of the compilers provide no assistance to the programmer in the crucial task of determining a good data partitioning scheme. A novel approach is presented, the constraints-based approach, to the problem of automatic data partitioning for numeric programs. In this approach, the compiler identifies some desirable requirements on the distribution of various arrays being referenced in each statement, based on performance considerations. These desirable requirements are referred to as constraints. For each constraint, the compiler determines a quality measure that captures its importance with respect to the performance of the program. The quality measure is obtained through static performance estimation, without actually generating the target data-parallel program with explicit communication. Each data distribution decision is taken by combining all the relevant constraints. The compiler attempts to resolve any conflicts between constraints such that the overall execution time of the parallel program is minimized. This approach has been implemented as part of a compiler called Paradigm, that accepts Fortran 77 programs, and specifies the partitioning scheme to be used for each array in the program. We have obtained results on some programs taken from the Linpack and Eispack libraries, and the Perfect Benchmarks. These results are quite promising, and demonstrate the feasibility of automatic data partitioning for a significant class of scientific application programs with regular computations.

Gupta, Manish↗