کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9667587 863757 2005 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Scaling first-principles plane-wave codes to thousands of processors
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Scaling first-principles plane-wave codes to thousands of processors
چکیده انگلیسی
We present some novel computational methods for scaling up first-principles plane-wave based codes to thousands of processors avoiding communication and latency bottlenecks. This allows our code to scale to more processors and larger systems than previous plane-wave codes that are typically limited in scaling to a few hundred processors. We present performance data for the plane-wave pseudopotential code PARATEC (PARAllel Total Energy Code) on the IBM SP, Cray X1, NEC SX6 Earth Simulator in Japan and the SGI Altix. This data shows how plane-wave codes can be scaled to the teraflop regime even though they require global communications on parallel machines.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computer Physics Communications - Volume 169, Issues 1–3, 1 July 2005, Pages 449-453
نویسندگان
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