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NASA NTRS1997

A Multi-Level Parallelization Concept for High-Fidelity Multi-Block Solvers

The integration of high-fidelity Computational Fluid Dynamics (CFD) analysis tools with the industrial design process benefits greatly from the robust implementations that are transportable across a wide range of computer architectures. In the present work, a hybrid domain-decomposition and parallelization concept was developed and implemented into the widely-used NASA multi-block Computational Fluid Dynamics (CFD) packages implemented in ENSAERO and OVERFLOW. The new parallel solver concept, PENS (Parallel Euler Navier-Stokes Solver), employs both fine and coarse granularity in data partitioning as well as data coalescing to obtain the desired load-balance characteristics on the available computer platforms. This multi-level parallelism implementation itself introduces no changes to the numerical results, hence the original fidelity of the packages are identically preserved. The present implementation uses the Message Passing Interface (MPI) library for interprocessor message passing and memory accessing. By choosing an appropriate combination of the available partitioning and coalescing capabilities only during the execution stage, the PENS solver becomes adaptable to different computer architectures from shared-memory to distributed-memory platforms with varying degrees of parallelism. The PENS implementation on the IBM SP2 distributed memory environment at the NASA Ames Research Center obtains 85 percent scalable parallel performance using fine-grain partitioning of single-block CFD domains using up to 128 wide computational nodes. Multi-block CFD simulations of complete aircraft simulations achieve 75 percent perfect load-balanced executions using data coalescing and the two levels of parallelism. SGI PowerChallenge, SGI Origin 2000, and a cluster of workstations are the other platforms where the robustness of the implementation is tested. The performance behavior on the other computer platforms with a variety of realistic problems will be included as this on-going study progresses.

Hatay, Ferhat F.↗

NASA NTRS1996

Parallel NPARC: Implementation and Performance

Version 3 of the NPARC Navier-Stokes code includes support for large-grain (block level) parallelism using explicit message passing between a heterogeneous collection of computers. This capability has the potential for significant performance gains, depending upon the block data distribution. The parallel implementation uses a master/worker arrangement of processes. The master process assigns blocks to workers, controls worker actions, and provides remote file access for the workers. The processes communicate via explicit message passing using an interface library which provides portability to a number of message passing libraries, such as PVM (Parallel Virtual Machine). A Bourne shell script is used to simplify the task of selecting hosts, starting processes, retrieving remote files, and terminating a computation. This script also provides a simple form of fault tolerance. An analysis of the computational performance of NPARC is presented, using data sets from an F/A-18 inlet study and a Rocket Based Combined Cycle Engine analysis. Parallel speedup and overall computational efficiency were obtained for various NPARC run parameters on a cluster of IBM RS6000 workstations. The data show that although NPARC performance compares favorably with the estimated potential parallelism, typical data sets used with previous versions of NPARC will often need to be reblocked for optimum parallel performance. In one of the cases studied, reblocking increased peak parallel speedup from 3.2 to 11.8.

Townsend, S. E.↗

NASA NTRS1995

Application Portable Parallel Library

Application Portable Parallel Library (APPL) computer program is subroutine-based message-passing software library intended to provide consistent interface to variety of multiprocessor computers on market today. Minimizes effort needed to move application program from one computer to another. User develops application program once and then easily moves application program from parallel computer on which created to another parallel computer. ("Parallel computer" also include heterogeneous collection of networked computers). Written in C language with one FORTRAN 77 subroutine for UNIX-based computers and callable from application programs written in C language or FORTRAN 77.

Cole, Gary L.↗

NASA NTRS2004

PVM Wrapper

PVM Wrapper is a software library that makes it possible for code that utilizes the Parallel Virtual Machine (PVM) software library to run using the message-passing interface (MPI) software library, without needing to rewrite the entire code. PVM and MPI are the two most common software libraries used for applications that involve passing of messages among parallel computers. Since about 1996, MPI has been the de facto standard. Codes written when PVM was popular often feature patterns of {"initsend," "pack," "send"} and {"receive," "unpack"} calls. In many cases, these calls are not contiguous and one set of calls may even exist over multiple subroutines. These characteristics make it difficult to obtain equivalent functionality via a single MPI "send" call. Because PVM Wrapper is written to run with MPI- 1.2, some PVM functions are not permitted and must be replaced - a task that requires some programming expertise. The "pvm_spawn" and "pvm_parent" function calls are not replaced, but a programmer can use "mpirun" and knowledge of the ranks of parent and child tasks with supplied macroinstructions to enable execution of codes that use "pvm_spawn" and "pvm_parent."

Katz, Daniel↗

DOE OSTI2021

Translational research in the MPICH project

The MPICH project is an example of translational research in computer science before that term was well known or even coined. The project began in 1992 as an effort to develop a portable, high-performance implementation of the emerging Message-Passing Interface (MPI) Standard. It has enabled the widespread adoption of MPI as a way to write scalable parallel applications on systems of all sizes including upcoming exascale supercomputers. In this paper, we describe how the translational research process was used in MPICH, how that led to its success, the challenges encountered and lessons learned, and how the process could be applied to other similar projects.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1992

DSMC analysis in a heterogeneous parallel computing environment

A methodology for implementing parallel DSMC codes in a heterogeneous computing environment is described. The methodology involves the use of a common message-passing software library together with recently developed software that handles the actual interprocessor communications in a standard manner across a variety of computing platforms. Benchmark tests using a simple DSMC model problem were performed on an Intel iPSC/860, a Cray-YMP and a group of Sun workstations. The approach was found to give speedups that scaled linearly with problem size on all the computing platforms tested. This methodology was then incorporated into a production-type DSMC code to allow the simulation of problems that would not otherwise have been practical. The application of this production code to simulations of hypersonic shear flows and shock-lip interactions under near-continuum conditions is described. Synchronous and asynchronous models for implementing parallelism into DSMC simulations are also described and both models are shown to produce the same steady-state result.

Wilmoth, R. G.↗

NASA NTRS2022

VULCAN-CFD User Manual: Ver. 7.2.0

VULCAN-CFD offers a comprehensive set of capabilities to enable the simulation of continuum flowfields from subsonic to hypersonic conditions. The governing equations that are employed include allowances for both chemical and thermal nonequilibrium processes, coupled with a wide variety of turbulence models for both Reynolds-averaged and large eddy simulations. The software package can simulate two-dimensional, axisymmetric, or three-dimensional problems on structured multiblock meshes or fully unstructured meshes. A parabolic (i.e., space-marching) treatment can also be used for any subset of a structured mesh that can accommodate this solution strategy. The flow solver provides a significant level of geometric flexibility for structured grid simulations by allowing for arbitrary face-to-face C(0) continuous and non-C(0) continuous block interface connectivities. The unstructured grid paradigm allows for mixed element unstructured meshes that contain any combination of tetrahedral, prismatic, pyramidal, and hexahedral cell elements. The flow solver is also fully parallelized using MPI (Message Passing Interface) libraries in a data-parallel fashion, allowing for efficient simulations on modern High Performance Computing (HPC) systems. This document provides information related to the installation and execution of the VULCAN-CFD software package. A detailed description of the physical and numerical models available in the software are provided in the VULCAN-CFD Theory Manual.

VULCAN-CFD User Manual↗

NASA NTRSDate not supplied

Spectral Proper Orthogonal Decomposition of uPSP Measurements in Recent NASA Ames Wind Tunnel Test

This paper discusses Spectral Proper Orthogonal Decomposition (SPOD) of the Unsteady Pressure-Sensitive Paint (uPSP) measurements in recent NASA Ames wind tunnel test. The uPSP measurements were collected using Innovative Scientific Solutions, Inc. (ISSI) porous, fast-response pressure-sensitive paint, 40 ISSI four-inch air-cooled Light-Emitting Diodes, and 8 Phantom v2512 high-speed cameras at 10,000 frames per second in the uPSP Launch Vehicle Demonstration Test (LVDT) of the Space Launch System (SLS) vehicle in the 11-by 11-foot transonic test section of the Unitary Plan Wind Tunnel at NASA Ames Research Center in April 2024. SPOD is derived from a space-time proper orthogonal decomposition problem for statistically stationary flows. SPOD modes are determined in the frequency domain. Each SPOD mode oscillates at a single frequency. SPOD can be viewed as an extension of the Discrete Fourier Transform composition and the Dynamic Mode Decomposition. In this paper, the outputs of SPOD of the uPSP measurements in the uPSP LVDT are presented and the effectiveness of SPOD in the identification, diagnosis and analysis of the aerodynamic and aeroacoustic phenomena is demonstrated. The unsteady and dynamic property of the pressure field on the surface of the SLS Block 1B crew vehicle is presented with the visualization of the SPOD modes of the uPSP measurements in the tests of a Mach sweep run of the uPSP LVDT. The SPOD outputs were generated with the execution in parallel of a code in Python, with the library of Message Passing Interface for parallel processing, on the NASA Pleiades supercomputer. The work described in this paper is a part of NASA’s development of a new state-of-the-art uPSP capability in production wind tunnels. Funding was provided by the NASA Aerosciences Evaluation and Test Capabilities Portfolio Office.

Aeroacoustics↗

NASA NTRS1995

Implementing Multidisciplinary and Multi-Zonal Applications Using MPI

Multidisciplinary and multi-zonal applications are an important class of applications in the area of Computational Aerosciences. In these codes, two or more distinct parallel programs or copies of a single program are utilized to model a single problem. To support such applications, it is common to use a programming model where a program is divided into several single program multiple data stream (SPMD) applications, each of which solves the equations for a single physical discipline or grid zone. These SPMD applications are then bound together to form a single multidisciplinary or multi-zonal program in which the constituent parts communicate via point-to-point message passing routines. Unfortunately, simple message passing models, like Intel's NX library, only allow point-to-point and global communication within a single system-defined partition. This makes implementation of these applications quite difficult, if not impossible. In this report it is shown that the new Message Passing Interface (MPI) standard is a viable portable library for implementing the message passing portion of multidisciplinary applications. Further, with the extension of a portable loader, fully portable multidisciplinary application programs can be developed. Finally, the performance of MPI is compared to that of some native message passing libraries. This comparison shows that MPI can be implemented to deliver performance commensurate with native message libraries.

Fineberg, Samuel A.↗

DOE OSTI2021

The LISE package: solvers for static and time-dependent superfluid local density approximation equations in three dimensions

Nuclear implementation of the density functional theory (DFT) is at present the only microscopic framework applicable to the whole nuclear landscape. The extension of DFT to superfluid systems in the spirit of the Kohn-Sham approach, the superfluid local density approximation (SLDA) and its extension to time-dependent situations, time-dependent superfluid local density ap- proximation (TDSLDA), have been extensively used to describe various static and dynamical problems in nuclear physics, neutron star crust, and cold atom systems. In this paper, we present the codes that solve the static and time-dependent SLDA equations in three-dimensional coordinate space without any symmetry restriction. These codes are fully parallelized with the message passing interface (MPI) library and take advantage of graphic processing units (GPU) for accelerating execution. The dynamic codes have checkpoint/restart capabilities and for initial conditions one can use any generalized Slater determinant type of wave function. The code can describe a large number of physical problems: nuclear fission, collisions of heavy ions, the interaction of quantized vor- tices with nuclei in the nuclear star crust, excitation of superfluid fermion systems by time dependent external fields, quantum shock waves, domain wall generation and propagation, the dynamics of the Anderson-Bogoliubov-Higgs mode, dynamics of fragmented condensates, vortex rings dynamics, generation and dynamics of quantized vortices, their crossing and recombinations and the incipient phases of quantum turbulence.

Jin, Shi↗

NASA NTRS1999

A Robust and Scalable Software Library for Parallel Adaptive Refinement on Unstructured Meshes

The design and implementation of Pyramid, a software library for performing parallel adaptive mesh refinement (PAMR) on unstructured meshes, is described. This software library can be easily used in a variety of unstructured parallel computational applications, including parallel finite element, parallel finite volume, and parallel visualization applications using triangular or tetrahedral meshes. The library contains a suite of well-designed and efficiently implemented modules that perform operations in a typical PAMR process. Among these are mesh quality control during successive parallel adaptive refinement (typically guided by a local-error estimator), parallel load-balancing, and parallel mesh partitioning using the ParMeTiS partitioner. The Pyramid library is implemented in Fortran 90 with an interface to the Message-Passing Interface (MPI) library, supporting code efficiency, modularity, and portability. An EM waveguide filter application, adaptively refined using the Pyramid library, is illustrated.

Lou, John Z.↗

NASA NTRS2000

Charon Message-Passing Toolkit for Scientific Computations

Charon is a library, callable from C and Fortran, that aids the conversion of structured-grid legacy codes-such as those used in the numerical computation of fluid flows-into parallel, high- performance codes. Key are functions that define distributed arrays, that map between distributed and non-distributed arrays, and that allow easy specification of common communications on structured grids. The library is based on the widely accepted MPI message passing standard. We present an overview of the functionality of Charon, and some representative results.

VanderWijngaart, Rob F.↗

NASA NTRS1996

RANS-MP: A Portable Parallel Navier-Stokes Solver

RANS-MP, a new implementation of a single-grid Navier-Stokes solver using the diagonalized Beam-Warming approximate-factorization scheme, is presented. This first release of the completely rewritten solver employs the following optimizations: (1) Bi-directional multi-partition method for the ADI solver part; this improves granularity and load balance; (2) Improved cache usage through elimination of non-unit-stride array access (possible in part due to multi-partitioning); (3) Preprocessing of communicating boundary conditions to streamline logic during time stepping; (4) Truly parallel, high-performance I/O using the newly-developed MPI-IO library; (5) Elimination of large amounts of redundant operations through efficient use of workspace. Results of some realistic wing computations on the IBM SP2 computer will be presented. We will demonstrate that excellent absolute performance and scalability are obtained with RANS-MP, even for relatively small grid sizes. Besides high performance, an outstanding feature of RANS-MP is its true portability, due to the use of the portable message passing and I/O libraries MPI and MPI-IO.

VanderWijngaart, Rob F.↗

DOE OSTI2024

Massively parallel axisymmetric fluid model for streamer discharges

A highly parallelizable fluid plasma simulation tool based upon the first-order drift-diffusion equations is discussed. Atmospheric pressure plasmas have densities and gradients that require small element sizes in order to accurately simulate the plasm resulting in computational meshes on the order of millions to tens of millions of elements for realistic size plasma reactors. To enable simulations of this nature, parallel computing is required and must be optimized for the particular problem. Here, a finite-volume, electrostatic drift-diffusion implementation for low-temperature plasma is discussed. The implementation is built upon the Message Passing Interface (MPI) library in C++ using Object Oriented Programming. The underlying numerical method is outlined in detail and benchmarked against simple streamer formation from other streamer codes. Electron densities, electric field, and propagation speeds are compared with the reference case and show good agreement. Convergence studies are also performed showing a minimal space step of approximately 4 μm required to reduce relative error to below 1% during early streamer simulation times and even finer space steps are required for longer times. Additionally, strong and weak scaling of the implementation are studied and demonstrate the excellent performance behavior of the implementation up to 100 million elements on 1024 processors. Lastly, different advection schemes are compared for the simple streamer problem to analyze the influence of numerical diffusion on the resulting quantities of interest.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Development of a CPU/GPU portable software library for Lagrangian–Eulerian simulations of liquid sprays

The Lagrangian–Eulerian method is widely used for simulations of fuel sprays in turbulent combustion because of the advantage of treating the spray droplets as discrete points. One challenge of the Lagrangian–Eulerian method is the intense computational requirement when tracking the large number of Lagrangian particles needed for high fidelity. We have developed a performance-portable library, Grit, to track the Lagrangian particles in parallel on central processing unit (CPU) and graphics processing unit (GPU) accelerated high performance computing (HPC) architectures. Grit is a C++ library which employs Message Passing Interface (MPI) for distributed memory parallelism and Kokkos programming model for on-node shared memory parallelism with performance portability across different architectures of GPUs and multi-core/manycore CPUs. The parallel algorithms, key parallel kernels, and their performances on the pre-exascale supercomputer, Summit, are presented. Grit is coupled with a direct numerical simulation (DNS) solver, S3D, for multiphase simulations. A conservative formulation has been developed and implemented in Grit for phase coupling with thermodynamic consistency. The formulation separates the conservation of mass, momentum and energy from the physical models to prevent accidental violation of conservation laws due to inconsistent models. The formulation also enforces consistent definitions of enthalpies of the fuel for both phases and the latent heat of evaporation. Finally, simulations of turbulent particle-laden flow and the evaporation of dilute turbulent spray jet are performed to verify the software implementation, and to demonstrate the scalability of Grit for large-scale multiphase simulations.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

A numerical solver for investigating the space charge effect on the electric field in liquid argon time projection chambers

This paper reports the development of a numerical solver aimed to simulate the interaction between the space charge (i.e. ions) distribution and the electric field in liquid argon time projection chamber (LArTPC) detectors. The ion transport equation is solved by a time-accurate, cell-centered finite volume method and the electric potential equation by a continuous finite element method. The electric potential equation updates the electric field which provides the drift velocity to the ion transport equation. The ion transport equation updates the space charge density distribution which appears as the source term in the electric potential equation. The interaction between the space charge distribution and the electric field is numerically simulated within each physical time step. The convective velocity in the ion transport equation can include the background flow velocity in addition to the electric drift velocity. The numerical solver has been parallelized using the Message Passing Interface (MPI) library. Numerical tests show and verify the capability and accuracy of the current numerical solver. It is planned that the developed numerical solver, together with a Computational Fluid Dynamics (CFD) package which provides the flow velocity field, can be used to investigate the space charge effect on the electric field in large-scale particle detectors.

42 ENGINEERING↗

NASA NTRS2001

Efficient Tracing for On-the-Fly Space-Time Displays in a Debugger for Message Passing Programs

In this work we describe the implementation of a practical mechanism for collecting and displaying trace information in a debugger for message passing programs. We introduce a trace format that is highly compressible while still providing information adequate for debugging purposes. We make the mechanism convenient for users to access by incorporating the trace collection in a set of wrappers for the MPI (message passing interface) communication library. We implement several debugger operations that use the trace display: consistent stoplines, undo, and rollback. They all are implemented using controlled replay, which executes at full speed in target processes until the appropriate position in the computation is reached. They provide convenient mechanisms for getting to places in the execution where the full power of a state-based debugger can be brought to bear on isolating communication errors.

Hood, Robert↗

NASA NTRS1998

Navier-Stokes Computations on Commodity Computers

In this paper we discuss and demonstrate the feasibility of solving high-fidelity, nonlinear computational fluid dynamics (CFD) problems of practical interest on commodity machines, namely Pentium Pro PC's. Such calculations have now become possible due to the progress in computational power and memory of the off-the-shelf commodity computers, along with the growth in bandwidth and communication speeds of networks. A widely used CFD code known as TLNS3D, which was developed originally on large shared memory computers was selected for this effort. This code has recently been ported to massively parallel processor (MPP) type machines, where natural partitioning along grid blocks is adopted in which one or more blocks are distributed to each of the available processors. In this paper, a similar approach is adapted to port this code to a cluster of Pentium Pro computers. The message passing among the processors is accomplished through the use of standard message passing interface (MPI) libraries. Scaling studies indicate fairly high level of parallelism on such clusters of commodity machines, thus making solutions to Navier-Stokes equations for practical problems more affordable.

Vatsa, Veer N.↗