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An Accelerated First Principle Method Implemented on IntelGPU

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Published:13 December 2022Publication History

ABSTRACT

High performance computing has been developing rapidly over the past decades. Nowadays, most super computers are still using traditional pure CPU architecture or very limited heterogeneous devices like Nvidia GPU. Many other vendor's devices are also very reliable, such as Intel GPU, which was first introduced few years ago. As programming methods on most heterogeneous devices are always very strongly restricted by vendors, porting from one platform to another is usually difficult and time-costing. With the great help of ONEAPI, applications can be ported to Intel GPU and Intel FPGA with almost zero cost, rather than rebuild kernel codes in CUDA. This paper demonstrates the porting work of an important and widely used application, the GW approximation in the First Principle. We introduce the whole workflow of how to port applications to Intel ONEAPI, which allows us to execute application on all platforms. To fully use all devices, we introduce an automatic heterogeneous device sneaking and workload balance method in this paper. Moreover, we develop a series of methods of how to achieve workload balance for each single core in GPU, and design a better reduction method than all previous works. The tests are taken on 2 Intel Xe-HP ATS-P GPUs, and the results show that our method achieves an another 65x acceleration over traditional OpenMP + MPI implementation.

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      cover image ACM Other conferences
      CSAE '22: Proceedings of the 6th International Conference on Computer Science and Application Engineering
      October 2022
      411 pages
      ISBN:9781450396004
      DOI:10.1145/3565387

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      Publication History

      • Published: 13 December 2022

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