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DTSTART:19700308T020000
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DTSTAMP:20260522T150123Z
LOCATION:D175
DTSTART;TZID=America/Chicago:20181111T103000
DTEND;TZID=America/Chicago:20181111T105000
UID:submissions.supercomputing.org_SC18_sess155_ws_waccpd110@linklings.com
SUMMARY:Using Compiler Directives for Performance Portability in Scientifi
 c Computing: Kernels from Molecular Simulation
DESCRIPTION:Ada Sedova, Andreas F. Tillack, and Arnold Tharrington (Oak Ri
 dge National Laboratory)\n\nAchieving performance portability for high-per
 formance computing (HPC) applications in scientific fields has become an i
 ncreasingly important initiative due to large differences in emerging supe
 rcomputer architectures. Here we test some key kernels from molecular dyna
 mics (MD) to determine whether the use of the OpenACC directive-based prog
 ramming model when applied to these kernels can result in performance with
 in an acceptable range for these types of programs in the HPC setting. We 
 find that for easily parallelizable kernels, performance on the GPU remain
 s within this range. On the CPU, OpenACC-parallelized pairwise distance ke
 rnels would not meet the performance standards required, when using AMD Op
 teron “Interlagos” processors, but with IBM Power 9 processors, performanc
 e remains within an acceptable range for small batch sizes. These kernels 
 provide a test for achieving performance portability with compiler directi
 ves for problems with memory-intensive components as are often found in sc
 ientific applications.\n\nTag: Accelerators, Heterogeneous Systems, Parall
 el Programming Languages, Libraries, and Models\n\nRegistration Category: 
 Workshop Reg Pass\n\nSession Chairs: Sunita Chandrasekaran (University of 
 Delaware); Guido Juckeland (Helmholtz-Zentrum Dresden-Rossendorf (HZDR), T
 UD Dresden University of Technology); and Sandra Wienke (RWTH Aachen Unive
 rsity)\n\n
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