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The UPC++ PGAS library for exascale computing. Extended Abstract

We describe UPC++ V1.0, a C++11 library that supports APGAS programming. UPC++ targets distributed data structures where communication is irregular or fine-grained. The key abstractions are global pointers, asynchronous programming via RPC, and futures. Global pointers incorporate ownership information useful in optimizing for locality. Futures capture data readiness state, are useful for scheduling and also enable the programmer to chain operations to execute asynchronously as high-latency dependencies become satisfied, via continuations. The interfaces for moving non-contiguous data and handling memories with different optimal access methods are composable and closely resemble those used in modern C++. Communication in UPC++ runs at close to hardware speeds by utilizing the low-overhead GASNet-EX communication library.

97 MATHEMATICS AND COMPUTING↗

Scaling Irregular Applications through Data Aggregation and Software Multithreading

Bioinformatics, data analytics, semantic databases, knowledge discovery are emerging high performance application areas that exploit dynamic, linked data structures such as graphs, unbalanced trees or unstructured grids. These data structures usually are very large, requiring significantly more memory than available on single shared memory systems. Additionally, these data structures are difficult to partition on distributed memory systems. They also present poor spatial and temporal locality, thus generating unpredictable memory and network accesses. The Partitioned Global Address Space (PGAS) programming model seems suitable for these applications, because it allows using a shared memory abstraction across distributed-memory clusters. However, current PGAS languages and libraries are built to target regular remote data accesses and block transfers. Furthermore, they usually rely on the Single Program Multiple Data (SPMD) parallel control model, which is not well suited to the fine grained, dynamic and unbalanced parallelism of irregular applications. In this paper we present {\bf GMT} (Global Memory and Threading library), a custom runtime library that enables efficient execution of irregular applications on commodity clusters. GMT integrates a PGAS data substrate with simple fork/join parallelism and provides automatic load balancing on a per node basis. It implements multi-level aggregation and lightweight multithreading to maximize memory and network bandwidth with fine-grained data accesses and tolerate long data access latencies. A key innovation in the GMT runtime is its thread specialization (workers, helpers and communication threads) that realize the overall functionality. We compare our approach with other PGAS models, such as UPC running using GASNet, and hand-optimized MPI code on a set of typical large-scale irregular applications, demonstrating speedups of an order of magnitude.

Aggregation↗

Distributed-Memory Sparse Deep Neural Network Inference Using Global Arrays

Partitioned Global Address Space (PGAS) models exhibit tremendous promise in developing efficient and productive distributed-memory parallel applications. They have been used extensively in scientific computations due to conveniently offering a ``shared-memory''-like model and convenient interfaces that separate communication with synchronization. Traditionally, PGAS communication models have been applied to dense/contiguously distributed data, but most modern applications depict varied levels of sparsity. Existing PGAS models require certain adaptations to support distributed sparse computations, since associated computations often require matrix arithmetic, in addition to data movement. The Global Arrays toolkit from Pacific Northwest National Laboratory (PNNL) is one of the earliest PGAS models to combine one-sided data communication and distributed matrix operations and is still used in the popular NWChem quantum chemistry suite. Recently, we have expanded the Global Arrays toolkit to support common sparse operations, like sparse matrix-dense matrix multiplies (SpMM), sparse matrix-sparse matrix multiplication (SpGEMM) and Sampled Dense-Dense Matrix Multiplication (SDDMM). As it turns out, these operations are the bedrock of sparse Deep Learning (DL); sparse deep neural networks and Graph Neural Networks (GNNs) have gained increasing attention recently in achieving speedups on training and inference with reduced memory footprints. Unlike scientific applications in High Performance Computing (HPC), modern (distributed-memory capable) DL toolkits often rely on non-standardized and closed-source vendor software optimizations, creating challenges in software-hardware co-design at scale. Our goal is to support a variety of distributed-memory sparse matrix operations and helper functions in the newly created Sparse Global Arrays (SGA), such that it is possible to build portable and productive Machine Learning scenarios for algorithm/software and hardware codesign purposes. Contemporary data-parallel schemes for training/inference are undergoing a major overhaul since model replication limits scalability and causes resource inefficiencies. As such, we have adopted tensor parallelism in decomposing the model and inputs, to mitigate memory issues. Current implementation is built on top of MPI and uses CPUs to maximize the portability across the platforms.

Distributed computing, machine learning↗

A local-view array library for partitioned global address space C++programs

Multidimensional arrays are an important data structure in many scientific applications. Unfortunately, built-in support for such arrays is inadequate in C++, particularly in the distributed setting where bulk communication operations are required for good performance. In this paper, we present a multidimensional library for partitioned global address space (PGAS) programs, supporting the one-sided remote access and bulk operations of the PGAS model. The library is based on Titanium arrays, which have proven to provide good productivity and performance. These arrays provide a local view of data, where each rank constructs its own portion of a global data structure, matching the local view of execution common to PGAS programs and providing maximum flexibility in structuring global data. Unlike Titanium, which has its own compiler with array-specific analyses, optimizations, and code generation, we implement multidimensional arrays solely through a C++library. The main goal of this effort is to provide a library-based implementation that can match the productivity and performance of a compiler-based approach. We implement the array library as an extension to UPC++, a C++library for PGAS programs, and we extend Titanium arrays with specializations to improve performance. We evaluate the array library by porting four Titanium benchmarks to UPC++, demonstrating that it can achieve up to 25% better performance than Titanium without a significant increase in programmer effort..

Kamil, A↗

Notified access in coarray-based hydrodynamics applications on many-core architectures: Design and performance

With the increasing availability of the Remote Direct Memory Access (RDMA) support in computer networks, the so called Partitioned Global Address Space (PGAS) model has evolved in the last few years. Although there are several cases where a PGAS approach can easily solve difficult message passing situations, like in particle tracking and adaptive mesh refinement applications, the producer-consumer pattern, usually adopted in task-based parallelism, can only be implemented inefficiently because of the separation between data transfer and synchronization (which is usually unified in message passing programming models). Here, in this paper, we provide two contributions: (1) we propose an extension for the Fortran language that provides the concept of Notified Access by associating regular coarray variables with event variables. (2) We demonstrate that the MPI extension proposed by foMPI for Notified Access can be used effectively to implement the same concept in a PGAS run-time library like OpenCoarrays. Moreover, for a hydrodynamics mini-application, we found that Fortran 2018 events perform always better than Fortran 2008 sync statements on many-core processors. We finally show how the proposed Notified Access can improve the performance even more.

97 MATHEMATICS AND COMPUTING↗

RMACXX: An Efficient High-Level C++ Interface over MPI-3 RMA

Parallel scientific applications can benefit from de- coupling communication and synchronization. One-sided pro- gramming abstractions, which separate communication from syn- chronization, have in fact served as a motivation for partitioned global address space (PGAS) models. However, the use of PGAS models in application codes in a manner that fully exploits the benefit of these programming models requires significant development effort. Meanwhile, a vast majority of scientific codes already use the Message Passing Interface (MPI) and need convenient features to support application-specific one-sided communication scenarios. MPI Remote Memory Access (RMA) can be employed for this purpose. MPI is a low-level API, however, and developing applications with MPI RMA requires programmers to be well versed in its nuances. We present RMACXX, a compact set of C++ bindings to MPI-3 RMA, to ease the use of MPI RMA. Unlike other PGAS models, which may have interoperability issues with MPI, RMACXX is written on top of MPI and uses the same runtime as MPI. The basic functionality of RMACXX adds only a relatively small number of extra instructions (about 20) to the critical communication path. Moreover, RMACXX provides an intuitive API for building a wide variety of scientific applications while enjoying performance matching handwritten MPI-3 RMA codes.

MPI-3 RMA, one-sided communication, PGAS, C++, exp↗

Integrating Asynchronous Task Parallelism with OpenSHMEM, In: OpenSHMEM 2016: OpenSHMEM and Related Technologies. Enhancing OpenSHMEM for Hybrid Environments

Partitioned Global Address Space (PGAS) programming models combine shared and distributed memory features, and provide a foundation for high-productivity parallel programming using lightweight one-sided communications. The OpenSHMEM programming interface has recently begun gaining popularity as a lightweight library-based approach for developing PGAS applications, in part through its use of a symmetric heap to realize more efficient implementations of global pointers than in other PGAS systems. However, current approaches to hybrid inter-node and intra-node parallel programming in OpenSHMEM rely on the use of multithreaded programming models (e.g., pthreads, OpenMP) that harness intra-node parallelism but are opaque to the OpenSHMEM runtime. This OpenSHMEM+X approach can encounter performance challenges such as bottlenecks on shared resources, long pause times due to load imbalances, and poor data locality. Furthermore, OpenSHMEM+X requires the expertise of hero-level programmers, compared to the use of just OpenSHMEM. All of these are hard challenges to mitigate with incremental changes. This situation will worsen as computing nodes increase their use of accelerators and heterogeneous memories.

Computer Science↗

UPC++

UPC++ is a Partitioned Global Address Space (PGAS) extension for C++, with three main objectives: 1) to provide an object-oriented PGAS programming model in the context of the popular C++ language; 2) to add useful parallel programming idioms unavailable in UPC, such as asynchronous remote function invocation and multidimensional arrays, to support complex scientific applications; 3) to offer an easy on-ramp to PGAS programming through interoperability with other existing parallel programming systems (e.g., MPI, OpenMP, CUDA). UPC++ includes two main features beyond UPC: 1) One of the major limitations of UPC in the context of DOE application is the relatively weak notion of multidimensional arrays, which it inherited from C. To remedy this problem in UPC++, we included a multidimensional domain and array library based on that of Titanium. Titanium's library is similar to Chapel's dense and strided domains, as both were inspired by the dense and strided regions and arrays in ZPL. 2) Another feature provided by UPC++ but not by UPC is remote function invocation, which is inspired by Phalanx, X10, Habanero-C, and C++11. The user may start an asynchronous remote function invocation with the following syntax: "async(place)(function, args...);". UPC++ provides two programming constructs for specifying dynamic dependencies among tasks: 1) event-driven execution as in Phalanx and Habanero-C; 2) finish-async as in X10. We implemented UPC++ with a "compiler-free" approach using C++ templates and runtime libraries. The UPC++ front-end consists of a set of C++ header files that enables the C++ compiler to "translate" UPC++ features in a user program to runtime library calls. In particular, we use templates and operator overloading to customize the behavior of UPC++ types. This software package has been replaced with UPCC++ V 1.0

Amir Kamil, YiliZheng↗

UPC++ Programmer’s Guide, v1.0-2018.3.0

UPC++ is a C++11 library that provides Partitioned Global Address Space (PGAS) programming. It is designed for writing parallel programs that run efficiently and scale well on distributed-memory parallel computers. The PGAS model is single program, multiple-data (SPMD), with each separate thread of execution (referred to as a rank, a term borrowed from MPI) having access to local memory as it would in C++. However, PGAS also provides access to a global address space, which is allocated in shared segments that are distributed over the ranks. UPC++ provides numerous methods for accessing and using global memory. In UPC++, all operations that access remote memory are explicit, which encourages programmers to be aware of the cost of communication and data movement. Moreover, all remote-memory access operations are by default asynchronous, to enable programmers to write code that scales well even on hundreds of thousands of cores.

97 MATHEMATICS AND COMPUTING↗

UPC++ Programmer’s Guide (v1.0-2019.3.0)

UPC++ is a C++11 library that provides Partitioned Global Address Space (PGAS) programming. It is designed for writing parallel programs that run efficiently and scale well on distributed-memory parallel computers. The PGAS model is single program, multiple-data (SPMD), with each separate constituent process having access to local memory as it would in C++. However, PGAS also provides access to a global address space, which is allocated in shared segments that are distributed over the processes. UPC++ provides numerous methods for accessing and using global memory. In UPC++, all operations that access remote memory are explicit, which encourages programmers to be aware of the cost of communication and data movement. Moreover, all remote-memory access operations are by default asynchronous, to enable programmers to write code that scales well even on hundreds of thousands of cores.

97 MATHEMATICS AND COMPUTING↗

UPC++ v1.0 Programmer’s Guide (Revision 2019.9.0)

UPC++ is a C++11 library that provides Partitioned Global Address Space (PGAS) programming. It is designed for writing parallel programs that run efficiently and scale well on distributed-memory parallel computers. The PGAS model is single program, multiple-data (SPMD), with each separate constituent process having access to local memory as it would in C++. However, PGAS also provides access to a global address space, which is allocated in shared segments that are distributed over the processes. UPC++ provides numerous methods for accessing and using global memory. In UPC++, all operations that access remote memory are explicit, which encourages programmers to be aware of the cost of communication and data movement. Moreover, all remote-memory access operations are by default asynchronous, to enable programmers to write code that scales well even on hundreds of thousands of cores.

97 MATHEMATICS AND COMPUTING↗

UPC++ v1.0 Programmer’s Guide, Revision 2020.10.0

UPC++ is a C++11 library that provides Partitioned Global Address Space (PGAS) programming. It is designed for writing parallel programs that run efficiently and scale well on distributed-memory parallel computers. The PGAS model is single program, multiple-data (SPMD), with each separate constituent process having access to local memory as it would in C++. However, PGAS also provides access to a global address space, which is allocated in shared segments that are distributed over the processes. UPC++ provides numerous methods for accessing and using global memory. In UPC++, all operations that access remote memory are explicit, which encourages programmers to be aware of the cost of communication and data movement. Moreover, all remote-memory access operations are by default asynchronous, to enable programmers to write code that scales well even on hundreds of thousands of cores.

97 MATHEMATICS AND COMPUTING↗

UPC++ v1.0 Programmer’s Guide, Revision 2021.9.0

UPC++ is a C++ library that provides Partitioned Global Address Space (PGAS) programming. It is designed for writing parallel programs that run efficiently and scale well on distributed-memory parallel computers. The PGAS model is single program, multiple-data (SPMD), with each separate constituent process having access to local memory as it would in C++. PGAS additionally provides one-sided Remote Memory Access (RMA) to a global address space, which is allocated in shared segments that are distributed over the processes. UPC++ also features Remote Procedure Call (RPC) communication, making it easy to move computation to operate on data that resides on remote processes. In UPC++, all communication operations are explicit, which encourages programmers to be aware of the cost of communication and data movement. Moreover, all communication operations are asynchronous by default, to enable programmers to write code that scales well even on hundreds of thousands of cores.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

UPC++ Programmer’s Guide, v1.0-2018.9.0

UPC++ is a C++11 library that provides Partitioned Global Address Space (PGAS) programming. It is designed for writing parallel programs that run efficiently and scale well on distributed-memory parallel computers. The PGAS model is single program, multiple-data (SPMD), with each separate constituent process having access to local memory as it would in C++. However, PGAS also provides access to a global address space, which is allocated in shared segments that are distributed over the processes. UPC++ provides numerous methods for accessing and using global memory. In UPC++, all operations that access remote memory are explicit, which encourages programmers to be aware of the cost of communication and data movement. Moreover, all remote-memory access operations are by default asynchronous, to enable programmers to write code that scales well even on hundreds of thousands of cores.

97 MATHEMATICS AND COMPUTING↗

UPC++ v1.0 Programmer’s Guide, Revision 2020.3.0

UPC++ is a C++11 library that provides Partitioned Global Address Space (PGAS) programming. It is designed for writing parallel programs that run efficiently and scale well on distributed-memory parallel computers. The PGAS model is single program, multiple-data (SPMD), with each separate constituent process having access to local memory as it would in C++. However, PGAS also provides access to a global address space, which is allocated in shared segments that are distributed over the processes. UPC++ provides numerous methods for accessing and using global memory. In UPC++, all operations that access remote memory are explicit, which encourages programmers to be aware of the cost of communication and data movement. Moreover, all remote-memory access operations are by default asynchronous, to enable programmers to write code that scales well even on hundreds of thousands of cores.

97 MATHEMATICS AND COMPUTING↗

Accelerating the Global Arrays ComEx Runtime using Multiple Progress Ranks

Partitioned Global Address Space (PGAS) models are part of system software that are being designed to support communication runtime for exascale applications. Suitability of using MPI as a scalable PGAS communication subsystem has been shown as a viable option due to its standardization and higher performance. We used MPI two-sided semantics with a combination of automatic and user defined splitting of MPI communicators to achieve asynchronous progress. Our implementation can make use of multiple asynchronous progress ranks (PR) per node that can be mapped to the computing architecture of a node in a distributed cluster. We are able to show significant speed up of over 2.0X and scaling of communication bound computational chemistry application over 1024 nodes of state- of-the-art HPC clusters. Our results show that while running a communication bound application workload on a certain number of cluster nodes, a use of optimum number of ranks dedicated for communication may be used to achieve asynchronous communication progress and obtain highest performance.

PGAS, global-arrays, NWCHEM, NWChemEx, HPC, GPGPU↗