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MIC acceleration of short-range molecular dynamics simulations
| Content Provider | ACM Digital Library |
|---|---|
| Author | Wu, Qiang Yang, Canqun Xiao, Liquan Tang, Tao |
| Abstract | Heterogeneous systems containing accelerators such as GPUs or co-processors such as Intel MIC are becoming more prevalent due to their ability of exploiting large-scale parallelism in applications. In this paper, we have developed a hierarchical parallelization scheme for molecular dynamics simulations on CPU-MIC heterogeneous systems. The scheme exploits multi-level parallelism combining (1) task-level parallelism using a tightly-coupled division method, (2) thread-level parallelism employing spatial-decomposition through dynamically scheduled multi-threading, and (3) data-level parallelism via SIMD technology. By employing a hierarchy of parallelism with several optimization methods such as memory latency hiding and data pre-fetching, our MD code running on a CPU-MIC heterogeneous system (one 2.60GHZ eight-core Intel Xeon E5-2670 CPU and one 57-core Intel Knight Corner co-processor) achieves (1) multi-thread parallel efficiency of 72.4% for 57 threads on the co-processor with up to 7.62 times SIMD speedup on each core for the force computation task, and (2) up to 2.25 times speedup on the CPU-MIC system over the pure CPU system, which outperforms our previous work on a CPU-GPU (one NVIDIA Tesla M2050) platform. Our work shows that MD simulations can benefit enormously from the CPU-MIC heterogeneous platforms. |
| Starting Page | 1 |
| Ending Page | 8 |
| Page Count | 8 |
| File Format | |
| ISBN | 9781450319713 |
| DOI | 10.1145/2446920.2446922 |
| Language | English |
| Publisher | Association for Computing Machinery (ACM) |
| Publisher Date | 2013-02-24 |
| Publisher Place | New York |
| Access Restriction | Subscribed |
| Subject Keyword | High performance computing Heterogeneous computing Intel mic |
| Content Type | Text |
| Resource Type | Article |