TY - GEN
T1 - Implementation of NAMD molecular dynamics non-bonded force-field on the cell broadband engine processor
AU - Shi, Guochun
AU - Kindratenko, Volodymyr
N1 - Funding Information:
We are thankful to Dr Pedro Marçal (University Vale do Rio Doce, MG), for kindly providing access to the clinical strains and support to part of our analyses. MVDS is supported by grants from Fundação de Amparo à Pesquisa de Minas Gerais (FAPEMIG).
Funding Information:
We are thankful to Dr Pedro Mar?al (University Vale do Rio Doce, MG), for kindly providing access to the clinical strains and support to part of our analyses. MVDS is supported by grants from Funda??o de Amparo ? Pesquisa de Minas Gerais (FAPEMIG).
PY - 2008
Y1 - 2008
N2 - We present results of porting an important kernel of a production molecular dynamics simulation program, NAMD, to the Cell/B.E. processor. The non-bonded force-field kernel, as implemented in the NAMD SPEC 2006 CPU benchmark, has been implemented. Both single-precision and double-precision floating-point kernel variations are considered, and performance results obtained on the Cell/B.E., as well as several other platforms, are reported. Our results obtained on a 3.2 GHz Cell/B.E. blade show linear speedups when using multiple synergistic processing elements.
AB - We present results of porting an important kernel of a production molecular dynamics simulation program, NAMD, to the Cell/B.E. processor. The non-bonded force-field kernel, as implemented in the NAMD SPEC 2006 CPU benchmark, has been implemented. Both single-precision and double-precision floating-point kernel variations are considered, and performance results obtained on the Cell/B.E., as well as several other platforms, are reported. Our results obtained on a 3.2 GHz Cell/B.E. blade show linear speedups when using multiple synergistic processing elements.
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U2 - 10.1109/IPDPS.2008.4536470
DO - 10.1109/IPDPS.2008.4536470
M3 - Conference contribution
AN - SCOPUS:51049102792
SN - 9781424416943
T3 - IPDPS Miami 2008 - Proceedings of the 22nd IEEE International Parallel and Distributed Processing Symposium, Program and CD-ROM
BT - IPDPS Miami 2008 - Proceedings of the 22nd IEEE International Parallel and Distributed Processing Symposium, Program and CD-ROM
T2 - IPDPS 2008 - 22nd IEEE International Parallel and Distributed Processing Symposium
Y2 - 14 April 2008 through 18 April 2008
ER -