Recently, several task-parallel programming models have emerged to address the high synchronization and load imbalance issues as well as data movement overheads in modern shared memory architectures. OpenMP, the most commonly used shared memory parallel programming model, has added task execution support with dataflow dependencies. HPX and Regent are two more recent runtime systems that also support the dataflow execution model and extend it to distributed memory environments. We focus on parallelization of sparse matrix computations on shared memory architectures. We evaluate the OpenMP, HPX and Regent runtime systems in terms of performance and ease of implementation, and compare them against the traditional BSP model for two popular eigensolvers, Lanczos and LOBPCG. We give a general outline in regards to achieving parallelism using these runtime systems, and present a heuristic for tuning their performance to balance tasking overheads with the degree of parallelism that can be exposed. We then demonstrate their merits on two architectures, Intel Broadwell (a multicore processor) and AMD EPYC (a modern manycore processor). We observe that these frameworks achieve up to 13.7 × fewer cache misses over an efficient BSP implementation across L1, L2 and L3 cache layers. They also obtain up to 9.9 × improvement in execution time over the same BSP implementation.

Data movement is an important bottleneck against efficiency and energy consumption in large-scale sparse matrix computations that are commonly used in linear solvers, eigensolvers and graph analytics. We introduce a novel task-parallel sparse solver framework, named DeepSparse, which adopts a fully integrated task-parallel approach. DeepSparse framework differs from existing work in that it adopts a holistic approach that targets all computational steps in a sparse solver rather than narrowing the problem into small kernels (e.g., SpMM, SpMV). We present the implementation details of DeepSparse and demonstrate its merit in two popular eigensolvers, LOBPCG and Lanczos algorithms. We observe that DeepSparse achieves 2× - 16× fewer cache misses across different cache layers (L1, L2 and L3) over implementations of the same solvers based on optimized library function calls. We also achieve 2× - 3.9× improvement in execution time when using DeepSparse over the same library versions.

As on-node parallelism increases and the performance gap between the processor and the memory system widens, achieving high performance in large-scale scientific applications requires an architecture-aware design of algorithms and solvers. We focus on the eigenvalue problem arising in nuclear Configuration Interaction (CI) calculations, where a few extreme eigenpairs of a sparse symmetric matrix are needed. We consider a block iterative eigensolver whose main computational kernels are the multiplication of a sparse matrix with multiple vectors (SpMM), and tall-skinny matrix operations. We present techniques to significantly improve the SpMM and the transpose operation SpMMT by using the compressed sparse blocks (CSB) format. We achieve 3-4× speedup on the requisite operations over good implementations with the commonly used compressed sparse row (CSR) format. We develop a performance model that allows us to correctly estimate the performance of our SpMM kernel implementations, and we identify cache bandwidth as a potential performance bottleneck beyond DRAM. We also analyze and optimize the performance of LOBPCG kernels (inner product and linear combinations on multiple vectors) and show up to 15× speedup over using high performance BLAS libraries for these operations. The resulting high performance LOBPCG solver achieves 1.4× to 1.8× speedup over the existing Lanczos solver on a series of CI computations on high-end multicore architectures (Intel Xeons). We also analyze the performance of our techniques on an Intel Xeon Phi Knights Corner (KNC) processor.