GAMER: a GPU-Accelerated Adaptive Mesh Refinement Code for Astrophysics

We present the newly developed code, GAMER (GPU-accelerated Adaptive MEsh Refinement code), which has adopted a novel approach to improve the performance of adaptive mesh refinement (AMR) astrophysical simulations by a large factor with the use of the graphic processing unit (GPU). The AMR implementation is based on a hierarchy of grid patches with an oct-tree data structure. We adopt a three-dimensional relaxing TVD scheme for the hydrodynamic solver, and a multi-level relaxation scheme for the Poisson solver. Both solvers have been implemented in GPU, by which hundreds of patches can be advanced in parallel. The computational overhead associated with the data transfer between CPU and GPU is carefully reduced by utilizing the capability of asynchronous memory copies in GPU, and the computing time of the ghost-zone values for each patch is made to diminish by overlapping it with the GPU computations. We demonstrate the accuracy of the code by performing several standard test problems in astrophysics. GAMER is a parallel code that can be run in a multi-GPU cluster system. We measure the performance of the code by performing purely-baryonic cosmological simulations in different hardware implementations, in which detailed timing analyses provide comparison between the computations with and without GPU(s) acceleration. Maximum speed-up factors of 12.19 and 10.47 are demonstrated using 1 GPU with 4096^3 effective resolution and 16 GPUs with 8192^3 effective resolution, respectively.Comment: 60 pages, 22 figures, 3 tables. More accuracy tests are included. Accepted for publication in ApJ

Parthenon -- a performance portable block-structured adaptive mesh refinement framework

On the path to exascale the landscape of computer device architectures and corresponding programming models has become much more diverse. While various low-level performance portable programming models are available, support at the application level lacks behind. To address this issue, we present the performance portable block-structured adaptive mesh refinement (AMR) framework Parthenon, derived from the well-tested and widely used Athena++ astrophysical magnetohydrodynamics code, but generalized to serve as the foundation for a variety of downstream multi-physics codes. Parthenon adopts the Kokkos programming model, and provides various levels of abstractions from multi-dimensional variables, to packages defining and separating components, to launching of parallel compute kernels. Parthenon allocates all data in device memory to reduce data movement, supports the logical packing of variables and mesh blocks to reduce kernel launch overhead, and employs one-sided, asynchronous MPI calls to reduce communication overhead in multi-node simulations. Using a hydrodynamics miniapp, we demonstrate weak and strong scaling on various architectures including AMD and NVIDIA GPUs, Intel and AMD x86 CPUs, IBM Power9 CPUs, as well as Fujitsu A64FX CPUs. At the largest scale on Frontier (the first TOP500 exascale machine), the miniapp reaches a total of $1.7\times10^{13}$ zone-cycles/s on 9,216 nodes (73,728 logical GPUs) at ~92% weak scaling parallel efficiency (starting from a single node). In combination with being an open, collaborative project, this makes Parthenon an ideal framework to target exascale simulations in which the downstream developers can focus on their specific application rather than on the complexity of handling massively-parallel, device-accelerated AMR.Comment: 17 pages, 11 figures, accepted for publication in IJHPCA, Codes available at https://github.com/parthenon-hpc-la

Scaling Deep Learning on GPU and Knights Landing clusters

The speed of deep neural networks training has become a big bottleneck of deep learning research and development. For example, training GoogleNet by ImageNet dataset on one Nvidia K20 GPU needs 21 days. To speed up the training process, the current deep learning systems heavily rely on the hardware accelerators. However, these accelerators have limited on-chip memory compared with CPUs. To handle large datasets, they need to fetch data from either CPU memory or remote processors. We use both self-hosted Intel Knights Landing (KNL) clusters and multi-GPU clusters as our target platforms. From an algorithm aspect, current distributed machine learning systems are mainly designed for cloud systems. These methods are asynchronous because of the slow network and high fault-tolerance requirement on cloud systems. We focus on Elastic Averaging SGD (EASGD) to design algorithms for HPC clusters. Original EASGD used round-robin method for communication and updating. The communication is ordered by the machine rank ID, which is inefficient on HPC clusters. First, we redesign four efficient algorithms for HPC systems to improve EASGD's poor scaling on clusters. Async EASGD, Async MEASGD, and Hogwild EASGD are faster \textcolor{black}{than} their existing counterparts (Async SGD, Async MSGD, and Hogwild SGD, resp.) in all the comparisons. Finally, we design Sync EASGD, which ties for the best performance among all the methods while being deterministic. In addition to the algorithmic improvements, we use some system-algorithm codesign techniques to scale up the algorithms. By reducing the percentage of communication from 87% to 14%, our Sync EASGD achieves 5.3x speedup over original EASGD on the same platform. We get 91.5% weak scaling efficiency on 4253 KNL cores, which is higher than the state-of-the-art implementation

From Piz Daint to the Stars: Simulation of Stellar Mergers using High-Level Abstractions

We study the simulation of stellar mergers, which requires complex simulations with high computational demands. We have developed Octo-Tiger, a finite volume grid-based hydrodynamics simulation code with Adaptive Mesh Refinement which is unique in conserving both linear and angular momentum to machine precision. To face the challenge of increasingly complex, diverse, and heterogeneous HPC systems, Octo-Tiger relies on high-level programming abstractions. We use HPX with its futurization capabilities to ensure scalability both between nodes and within, and present first results replacing MPI with libfabric achieving up to a 2.8x speedup. We extend Octo-Tiger to heterogeneous GPU-accelerated supercomputers, demonstrating node-level performance and portability. We show scalability up to full system runs on Piz Daint. For the scenario's maximum resolution, the compute-critical parts (hydrodynamics and gravity) achieve 68.1% parallel efficiency at 2048 nodes.Comment: Accepted at SC1

Investigating applications portability with the Uintah DAG-based runtime system on PetaScale supercomputers

pre-printPresent trends in high performance computing present formidable challenges for applications code using multicore nodes possibly with accelerators and/or co-processors and reduced memory while still attaining scalability. Software frameworks that execute machine-independent applications code using a runtime system that shields users from architectural complexities offer a possible solution. The Uintah framework for example, solves a broad class of large-scale problems on structured adaptive grids using fluid-flow solvers coupled with particle-based solids methods. Uintah executes directed acyclic graphs of computational tasks with a scalable asynchronous and dynamic runtime system for CPU cores and/or accelerators/coprocessors on a node. Uintah's clear separation between application and runtime code has led to scalability increases of 1000x without significant changes to application code. This methodology is tested on three leading Top500 machines; OLCF Titan, TACC Stampede and ALCF Mira using three diverse and challenging applications problems. This investigation of scalability with regard to the different processors and communications performance leads to the overall conclusion that the adaptive DAG-based approach provides a very powerful abstraction for solving challenging multi-scale multi-physics engineering problems on some of the largest and most powerful computers available today